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[
"In",
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] | 4 | A3B | In3Se | In3 Se1 | 2 | [
1,
1,
1
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] | 0 | 1.697728 | pbe | true | 7ab107bee3754b1b3d5ed81ecafbc9fd_187_In3Se1 |
[
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[
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1,
1
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] | 0.000013 | 2.282592 | pbe | true | 180ba67aedea53605993eda021e99158_42_Y1Tl1Cl1 |
[
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1
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] | 2023-11-16 06:57:59 | [
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] | 14.76703 | 25.747635 | pbe | true | 6913b8ce13f78d7af58fd827221df977_11_Pu2Co2Cl8 |
[
"Cl",
"Co",
"Rb"
] | 20 | A6B3C | Cl6CoRb3 | Rb6 Co2 Cl12 | 3 | [
1,
1,
1
] | 3 | [
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] | 0.005974 | -0.218199 | pbe | true | f128ca36cc071fee404c5792ef6ba1ad_148_Rb6Co2Cl12 |
[
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1,
1,
1
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] | 2.026741 | 4.177167 | pbe | true | a9739467a20da6e11e9238aea3b65cc4_155_Rb1V3Se4O12 |
[
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1
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0
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0
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[
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0,
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] | oqmd-5397918 | [
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[
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"Ir",
"Ir",
"Pr",
"Pr"
] | 2024-11-01 00:00:00 | [
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0.5
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[
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[
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[
0,
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]
] | 0.001413 | null | pbe | true | 692243211850acd2d59b916cd17567bd_194_Pr2Ir2 |
[
"Ir",
"Rh"
] | 9 | A7B2 | Ir7Rh2 | Ir7 Rh2 | 2 | [
1,
1,
1
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0
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"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
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] | -0 | 7.529459 | pbe | true | 8eb7998fe8d25a2eb766cffafcc20732_162_Ir7Rh2 |
[
"O",
"Rb",
"Sm",
"W"
] | 24 | A8B2CD | O8RbSmW2 | Rb2 Sm2 W4 O16 | 4 | [
1,
1,
1
] | 3 | [
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
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"O",
"O",
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"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
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[
-0.00045352,
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] | -0.000003 | 0 | pbe | true | c3bb7764f90ae46c6c2c3045053a9bfe_15_Rb2Sm2W4O16 |
[
"Ir",
"S"
] | 16 | AB | IrS | Ir8 S8 | 2 | [
1,
1,
1
] | 3 | [
[
7.16344379,
0,
0
],
[
0,
7.16344379,
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[
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] | agm004457176 | [
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
0.76717633,
0,
0
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[
0,
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0
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[
0,
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] | -101.094011 | [
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[
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] | -0.000004 | 2.15282 | pbe | true | 6d5c3990d9386ab3004fc25ddfaba19a_217_Ir8S8 |
[
"Ir",
"Y"
] | 5 | A4B | IrY4 | Y4 Ir1 | 2 | [
1,
1,
1
] | 3 | [
[
5.44155778,
0,
0
],
[
0,
5.44155778,
0
],
[
0,
0,
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] | agm006183047 | [
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[
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] | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"Y",
"Y",
"Ir"
] | 2023-11-16 06:57:59 | [
0.2,
0.8
] | [
[
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0,
0
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[
0,
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[
0,
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] | -35.985772 | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000042 | 7.193183 | pbe | true | fd422adf93454401386cf62a70dd5215_221_Y4Ir1 |
[
"La",
"Sr"
] | 4 | AB | LaSr | Sr2 La2 | 2 | [
1,
1,
1
] | 3 | [
[
3.92627498,
0.00331175,
0
],
[
-0.0063998,
3.9262831,
0
],
[
0,
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] | agm003164912 | [
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[
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[
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Sr",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
1.7050475,
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0
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[
0.03328054,
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0
],
[
0,
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]
] | -12.973391 | [
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0
] | [
[
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[
0,
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[
0,
0,
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[
0,
0,
0.00357268
]
] | 0.000006 | 4.649094 | pbe | true | b01efdef88f867b84e4cbb141c45111d_129_Sr2La2 |
[
"La",
"Ta"
] | 4 | AB | LaTa | La2 Ta2 | 2 | [
1,
1,
1
] | 3 | [
[
3.11563761,
0,
0
],
[
0,
6.62043465,
0
],
[
0,
0,
4.94480916
]
] | agm004146808 | [
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0,
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],
[
1.557818805,
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}] | [
"La",
"La",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
4.3483205,
0,
0
],
[
0,
4.3998938,
0
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[
0,
0,
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]
] | -31.563298 | [
0,
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0
] | [
[
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[
0,
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0
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[
0,
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0
],
[
0,
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0
]
] | 0.000006 | 4.629005 | pbe | true | 6e5d507c33aab77a6286969fe3592694_51_La2Ta2 |
[
"La",
"Zn"
] | 4 | AB | LaZn | La2 Zn2 | 2 | [
1,
1,
1
] | 3 | [
[
3.5850435,
0,
0
],
[
-1.79252175,
3.10473875,
0
],
[
0,
0,
10.90633524
]
] | agm003933137 | [
[
-1.79252176997342e-8,
2.069825843682463,
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[
1.7925217679252177,
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[
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],
[
1.7925217679252177,
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]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"La",
"La",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
2.585612,
0,
0
],
[
0,
2.585612,
0
],
[
0,
0,
3.456793
]
] | -11.468586 | [
0,
0,
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0
] | [
[
0,
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[
0,
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[
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[
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[
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[
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[
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[
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1
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[
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1
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] | -0.000104 | null | pbe | true | 05d1b946bb4d26338378d77ba39f98b6_225_Pr1Mg3 |
[
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] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Mg",
"Mg",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
3.78823,
-0.05836695,
-0.03426456
],
[
-0.05836695,
4.1465693,
-0.00544038
],
[
-0.03426456,
-0.00544038,
4.1526427
]
] | -16.682024 | [
0,
0,
0,
0
] | [
[
0.00463727,
0.00073629,
0.00043224
],
[
-0.00463727,
-0.00073629,
-0.00043224
],
[
-0.00361603,
-0.00057414,
-0.00033705
],
[
0.00361603,
0.00057414,
0.00033705
]
] | 0 | 1.451047 | pbe | true | e8175e668262f04a2779a5be923f4f06_166_Mg2Pt2 |
[
"Au",
"Er",
"Pb",
"Se",
"Te"
] | 12 | A2BCDE | AuErPbSe2Te | Au1 Er1 Pb1 Se2 Te1 | 5 | [
1,
1,
1
] | 3 | [
[
2.061844382,
-7.12562662,
0
],
[
2.061844382,
7.12562662,
0
],
[
0,
0,
11.088273806
]
] | oqmd-7566920 | [
[
2.061840000000001,
0.4573400000000004,
2.77207
],
[
2.06184,
-0.45734000000000025,
8.31621
],
[
0,
0,
0
],
[
0,
0,
5.54414
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[
2.061840000000001,
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2.77207
],
[
2.06184,
4.14424,
8.31621
],
[
2.06184,
1.93631,
0.57997
],
[
2.06184,
1.93631,
4.96417
],
[
2.061840000000001,
-1.93631,
6.1241
],
[
2.061840000000001,
-1.93631,
10.508310000000002
],
[
2.06184,
5.67255,
2.77207
],
[
2.06184,
-5.67255,
8.31621
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Au",
"Au",
"Er",
"Er",
"Pb",
"Pb",
"Se",
"Se",
"Se",
"Se",
"Te",
"Te"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.16666666666666666,
0.16666666666666666,
0.3333333333333333,
0.16666666666666666
] | [
[
5.93023023,
0,
0
],
[
0,
4.87371182,
0
],
[
0,
0,
7.12863779
]
] | -53.4747 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.008185,
0
],
[
0,
-0.008185,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
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0
],
[
0,
0.007822,
0
],
[
0,
0.004941,
0.007345
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[
0,
0.004941,
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[
0,
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0.007345
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[
0,
-0.004941,
-0.007345
],
[
0,
0.002412,
0
],
[
0,
-0.002412,
0
]
] | -0.003498 | null | pbe | true | df78885b0ab5c7bdb35707bd104eb1f5_63_Er2Te2Pb2Au2Se4 |
[
"Mg",
"Si"
] | 12 | A2B | Mg2Si | Mg8 Si4 | 2 | [
1,
1,
1
] | 3 | [
[
6.53486164,
0,
0
],
[
0,
6.53486164,
0
],
[
0,
0,
5.57285554
]
] | agm002097019 | [
[
4.355661266883965,
1.0882304468839652,
0
],
[
4.355661266883965,
5.446631193116035,
2.78642777
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[
2.1792003731160348,
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0
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[
5.446631193116035,
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[
5.446631193116035,
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0
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[
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0
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[
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[
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[
0,
0,
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[
3.26743082,
3.26743082,
4.179641655
],
[
3.26743082,
3.26743082,
1.393213885
]
] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
"Si",
"Si",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.3333333333333333
] | [
[
-0.7153498,
0,
0
],
[
0,
-0.7153498,
0
],
[
0,
0,
1.2580913
]
] | -34.630941 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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0
],
[
-0.00113233,
0.00113233,
0
],
[
0.00113233,
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0
],
[
0.00113233,
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0
],
[
0.00113233,
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0
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[
0.00113233,
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[
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[
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0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.28996 | pbe | true | 1fc2f9354bfac1c93c516c8df1037379_140_Mg8Si4 |
[
"Mn",
"Ru"
] | 4 | A3B | MnRu3 | Mn1 Ru3 | 2 | [
1,
1,
1
] | 3 | [
[
2.69024284,
0,
0
],
[
-1.34512142,
2.32981864,
0
],
[
0,
0,
8.42615018
]
] | agm003190791 | [
[
0,
0,
4.21307509
],
[
-1.345121425823437e-8,
1.553212434432729,
2.0167664363818036
],
[
-1.345121425823437e-8,
1.553212434432729,
6.409383743618196
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Ru",
"Ru",
"Ru",
"Mn"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
[
7.314466,
0,
0
],
[
0,
7.314466,
0
],
[
0,
0,
7.86453
]
] | -36.850117 | [
0,
0,
0,
0.002
] | [
[
0,
0,
0
],
[
0,
0,
-0.00207407
],
[
0,
0,
0.00207407
],
[
0,
0,
0
]
] | 0.002019 | 5.030078 | pbe | true | fa7117fc6779faad0427e5dcb1f6e34b_187_Mn1Ru3 |
[
"Mn",
"S"
] | 3 | A2B | MnS2 | Mn1 S2 | 2 | [
1,
1,
1
] | 3 | [
[
3.33645218,
0,
0
],
[
-1.66822609,
2.88945235,
0
],
[
0,
0,
17.65007877
]
] | agm2000110606 | [
[
1.6682261066822612,
0.9631507737018254,
10.150078806478154
],
[
-1.6682261079977255e-8,
1.9263015762981746,
7.499999963521846
],
[
0,
0,
8.825039385
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}] | [
"S",
"S",
"Mn"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.6666666666666666
] | [
[
0.6236897,
0,
0
],
[
0,
0.6236897,
0
],
[
0,
0,
-0.1761862
]
] | -19.054537 | [
-0.037,
-0.037,
2.9
] | [
[
0,
0,
0.0011308
],
[
0,
0,
-0.0011308
],
[
0,
0,
0
]
] | 2.952257 | 0.716426 | pbe | true | 36f3388e459b88ec851f7401c7d4ca44_164_Mn1S2 |
[
"Au",
"Er",
"S",
"Se",
"Sn"
] | 12 | A2BCDE | AuErS2SeSn | Au1 Er1 S2 Se1 Sn1 | 5 | [
1,
1,
1
] | 3 | [
[
2.039868151,
-7.195491808,
0
],
[
2.039868151,
7.195491808,
0
],
[
0,
0,
10.465657405
]
] | oqmd-5013767 | [
[
2.039869999999999,
5.098830000000002,
2.6164099999999992
],
[
2.039869999999999,
-5.098830000000002,
7.849240000000002
],
[
2.039870000000001,
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0
],
[
2.039870000000001,
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5.232830000000002
],
[
2.039870000000001,
5.368480000000002,
0.2669099999999995
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[
2.039870000000001,
5.368480000000002,
4.965920000000005
],
[
2.0398700000000014,
-5.368480000000002,
5.499739999999999
],
[
2.0398700000000014,
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10.198749999999997
],
[
2.039870000000001,
0.9575099999999996,
2.6164099999999992
],
[
2.039870000000001,
-0.9575099999999992,
7.849240000000002
],
[
2.039870000000001,
-4.31396,
2.6164099999999992
],
[
2.039870000000001,
4.31396,
7.849240000000002
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Au",
"Au",
"Er",
"Er",
"S",
"S",
"S",
"S",
"Se",
"Se",
"Sn",
"Sn"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.16666666666666666,
0.3333333333333333,
0.16666666666666666,
0.16666666666666666
] | [
[
2.85424335,
0,
0
],
[
0,
2.79804274,
0
],
[
0,
0,
3.10003351
]
] | -58.7021 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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0
],
[
0,
0.006939,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.004891,
0.000932
],
[
0,
0.004891,
-0.000932
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[
0,
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0.000932
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[
0,
-0.004891,
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[
0,
-0.026784,
0
],
[
0,
0.026784,
0
],
[
0,
0.002389,
0
],
[
0,
-0.002389,
0
]
] | -0.01272 | null | pbe | true | 0c50b894fbc6d98ea730ecb006b1cec0_63_Er2Sn2Au2Se2S4 |
[
"Au",
"Gd",
"Se",
"Sr",
"Te"
] | 12 | A2BCDE | AuGdSe2SrTe | Au1 Gd1 Se2 Sr1 Te1 | 5 | [
1,
1,
1
] | 3 | [
[
2.077252913,
-7.322315081,
0
],
[
2.077252913,
7.322315081,
0
],
[
0,
0,
11.01545101
]
] | oqmd-7549132 | [
[
2.07725,
0.3805700000000003,
2.75386
],
[
2.0772500000000003,
-0.3805700000000002,
8.26159
],
[
0,
0,
0
],
[
0,
0,
5.507729999999999
],
[
2.07725,
1.97652,
0.65749
],
[
2.07725,
1.97652,
4.85023
],
[
2.07725,
-1.9765200000000005,
6.16522
],
[
2.07725,
-1.9765200000000005,
10.35796
],
[
2.07725,
-4.13176,
2.75386
],
[
2.07725,
4.13176,
8.26159
],
[
2.07725,
5.82738,
2.75386
],
[
2.07725,
-5.82738,
8.26159
]
] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Au",
"Au",
"Gd",
"Gd",
"Se",
"Se",
"Se",
"Se",
"Sr",
"Sr",
"Te",
"Te"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.16666666666666666,
0.3333333333333333,
0.16666666666666666,
0.16666666666666666
] | [
[
13.908157,
0,
0
],
[
0,
3.5279896,
0
],
[
0,
0,
17.28270993
]
] | -55.8972 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.001839,
0
],
[
0,
-0.001839,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.017754,
0.014862
],
[
0,
-0.017754,
-0.014862
],
[
0,
0.017754,
0.014862
],
[
0,
0.017754,
-0.014862
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[
0,
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0
],
[
0,
0.008234,
0
],
[
0,
-0.017746,
0
],
[
0,
0.017746,
0
]
] | -0.002013 | null | pbe | true | f62ea1324904740dcc7b033174657f67_63_Sr2Gd2Te2Au2Se4 |
[
"Mo",
"Nb"
] | 4 | A3B | Mo3Nb | Nb1 Mo3 | 2 | [
1,
1,
1
] | 3 | [
[
3.19586762,
0,
0
],
[
0,
4.52498661,
0
],
[
-1.59793381,
-2.2624933,
4.52672132
]
] | agm002166827 | [
[
1.597933803828841e-8,
2.5094904337193314e-8,
2.2361743939668366
],
[
1.5979337940206622,
2.2624932849050956,
2.290546926033164
],
[
1.59793381,
0,
0
],
[
0,
2.262493305,
0
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}] | [
"Mo",
"Mo",
"Mo",
"Nb"
] | 2023-11-16 06:57:59 | [
0.75,
0.25
] | [
[
13.7148905,
0,
0
],
[
0,
13.384861,
0
],
[
0,
0,
10.821928
]
] | -42.951627 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00148289
],
[
0,
0,
0.00148289
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.981764 | pbe | true | 53d28865aca3351f434929fefef128e8_71_Nb1Mo3 |
[
"Mo",
"O"
] | 3 | A2B | Mo2O | Mo2 O1 | 2 | [
1,
1,
1
] | 3 | [
[
3.92251584,
0,
0
],
[
1.96125792,
3.39699836,
0
],
[
1.96125792,
1.13233279,
3.20272077
]
] | agm005261187 | [
[
5.88377376,
3.3969983625,
2.4020405775
],
[
1.96125792,
1.1323327875,
0.8006801925
],
[
3.92251584,
2.264665575,
1.601360385
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}] | [
"Mo",
"Mo",
"O"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.3333333333333333
] | [
[
-0.05272009,
0,
0
],
[
0,
-0.05272009,
0
],
[
0,
0,
-0.05272009
]
] | -15.216364 | [
1.379,
1.379,
0.01
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.000336 | 2.609028 | pbe | true | 710382c718b11bb40edb13932fa216e0_225_Mo2O1 |
[
"O",
"S",
"Sm",
"V"
] | 5 | A2BCD | O2SSmV | Sm1 V1 S1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
3.90814264,
-1e-8,
1e-8
],
[
1.2e-7,
3.90816103,
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[
9e-8,
0.00010075,
5.42685412
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] | agm004988221 | [
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1.9540710498977736,
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[
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Sm",
"V",
"S",
"O",
"O"
] | 2023-11-16 06:57:59 | [
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0.2
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1e-8
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2e-8,
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[
1e-8,
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] | -37.744911 | [
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1.908,
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[
0,
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] | 2 | -0.017335 | pbe | true | 41987fe794a37900585c17cadc92fc5b_99_Sm1V1S1O2 |
[
"Mo",
"Yb"
] | 4 | A3B | MoYb3 | Yb3 Mo1 | 2 | [
1,
1,
1
] | 3 | [
[
5.31101227,
0,
0
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[
2.65550614,
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0
],
[
2.65550614,
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"Yb",
"Yb",
"Yb",
"Mo"
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0.25,
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[
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] | 2.270721 | 2.282032 | pbe | true | 593debafc180910e5d56fd820c2d279a_225_Yb3Mo1 |
[
"Au",
"Ge",
"Lu",
"S",
"Se"
] | 12 | A2BCDE | AuGeLuS2Se | Au1 Ge1 Lu1 S2 Se1 | 5 | [
1,
1,
1
] | 3 | [
[
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0
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[
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] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}] | [
"Au",
"Au",
"Ge",
"Ge",
"Lu",
"Lu",
"S",
"S",
"S",
"S",
"Se",
"Se"
] | 2024-11-01 00:00:00 | [
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[
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[
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[
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] | -0.009661 | null | pbe | true | fe73f025660ba95915f77db396085aca_63_Lu2Ge2Au2Se2S4 |
[
"Au",
"Ge",
"S",
"Te",
"Y"
] | 12 | A2BCDE | AuGeSTe2Y | Au1 Ge1 S1 Te2 Y1 | 5 | [
1,
1,
1
] | 3 | [
[
2.080209463,
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0
],
[
2.080209463,
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0
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[
0,
0,
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] | oqmd-7563358 | [
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[
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[
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] | [{"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Au",
"Au",
"Ge",
"Ge",
"S",
"S",
"Te",
"Te",
"Te",
"Te",
"Y",
"Y"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.16666666666666666,
0.16666666666666666,
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[
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[
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[
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[
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] | -0.018348 | null | pbe | true | 968a1ad4ea55b0ba67c9297846ca4827_63_Y2Ge2Te4Au2S2 |
[
"O",
"S",
"Sr",
"Tl"
] | 20 | A6B2CD | O6S2SrTl | Sr2 Tl2 S4 O12 | 4 | [
1,
1,
1
] | 3 | [
[
6.94710212,
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[
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[
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"Sr",
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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.6,
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[
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0.084,
0.084,
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0.085
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[
-0.00344588,
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] | 2.054864 | 0.628159 | pbe | true | 5359110cb49b7d2fad87ff13a3a8130b_15_Sr2Tl2S4O12 |
[
"N",
"Pb"
] | 5 | A3B2 | N2Pb3 | Pb3 N2 | 2 | [
1,
1,
1
] | 3 | [
[
5.0165326,
0,
0
],
[
-2.5082663,
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0
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[
0,
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] | agm2000045085 | [
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] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Pb",
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"N",
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0.4,
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] | -20.212318 | [
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[
0,
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[
0,
0,
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]
] | 2.071908 | 2.924768 | pbe | true | 3cec790ee076132cf22b2543c455809a_183_Pb3N2 |
[
"Ni",
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] | 4 | AB | NiRh | Ni2 Rh2 | 2 | [
1,
1,
1
] | 3 | [
[
4.07441461,
0,
0
],
[
-2.0372073,
3.52854656,
0
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[
0,
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] | agm004460655 | [
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] | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Ni",
"Ni",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
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[
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[
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[
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[
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] | 2.63977 | 5.867286 | pbe | true | 59a808c39ecc418bbd82eb7c9eba69f4_194_Ni2Rh2 |
[
"O",
"S",
"Te",
"Th"
] | 40 | A7BCD | O7STeTh | Th4 Te4 S4 O28 | 4 | [
1,
1,
1
] | 3 | [
[
14.03866407,
0,
0
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[
0,
5.69801518,
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[
0,
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] | agm005287899 | [
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[
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[
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[
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3.0156611224423706,
3.2662718193193676,
6.235198895429249
],
[
5.809463808580775,
0.2753454274207749,
6.20864452172786
],
[
2.8677537375576296,
2.7155718606806327,
2.0606930445707508
],
[
2.92918107,
-8.45e-7,
-0.00929271
],
[
0.01252636,
2.990922685,
4.15723868
],
[
2.9417082949999998,
-0.000001055,
4.147946119999999
],
[
-8.65e-7,
2.990922895,
-1.5e-7
],
[
1.6378695485411428,
4.130194784402676,
0.3619345637914478
],
[
4.579573058471227,
4.8425753934611855,
4.509877503059381
],
[
4.245545311458857,
1.8516488955973245,
7.933957376208552
],
[
1.3038418015287725,
1.1392682865388146,
3.786014436940618
],
[
1.8494859541373143,
4.333195731910529,
3.712342947323438
],
[
4.791191403842994,
4.6395724956728515,
7.860287979811107
],
[
4.033928905862686,
1.6486479480894705,
4.583548992676562
],
[
1.0922234561570063,
1.3422711843271489,
0.4356039601888924
],
[
5.326659391779071,
3.199406593146752,
1.9243836086595196
],
[
2.4100097213899296,
5.773360836695242,
6.090914338801292
],
[
0.5567554682209285,
2.7824370868532484,
6.37150833134048
],
[
3.4734051386100697,
0.20848284330475814,
2.204977601198709
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Sr",
"Sr",
"Sr",
"Tl",
"Tl",
"Sb",
"Sb",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.6,
0.1,
0.2,
0.1
] | [
[
0.6587272,
0.00043464,
0.00061494
],
[
0.00043464,
0.6156763,
-0.00012663
],
[
0.00061503,
-0.0001268,
0.6450184
]
] | -117.698547 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.0003203,
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0.00204813
],
[
-0.00030648,
0.0006258,
0.00207362
],
[
0.0003203,
0.00062914,
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[
0.00030648,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
-0.00119924,
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0.00069322
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[
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0.00071095
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[
0.00119924,
0.00088397,
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[
0.00111891,
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[
-0.0014692,
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],
[
-0.00142274,
0.00026461,
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],
[
0.0014692,
0.00032982,
0.00231511
],
[
0.00142274,
-0.00026461,
0.0022739
],
[
-0.00245553,
-0.00298801,
-0.00121855
],
[
-0.00249237,
0.00297585,
-0.00114505
],
[
0.00245553,
0.00298801,
0.00121855
],
[
0.00249237,
-0.00297585,
0.00114505
]
] | 0 | -0.009065 | pbe | true | d2ae28dcea4274fefdce5432bbefcc8d_14_Sr4Tl2Sb2O12 |
[
"Cl",
"Cr",
"Zr"
] | 4 | A2BC | ClCrZr2 | Zr2 Cr1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
3.14483826,
0.23928385,
0
],
[
-1.13846812,
2.94128455,
0
],
[
0,
0,
8.90092165
]
] | agm004105750 | [
[
1.0031850700000002,
1.5902842000000001,
6.753372251016046
],
[
0,
0,
8.853985755001304
],
[
1.0031850700000002,
1.5902842000000001,
2.351153353248447
],
[
0,
0,
4.293792765734206
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}] | [
"Cr",
"Zr",
"Zr",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.4699423,
-0.02560546,
0
],
[
-0.02560546,
2.445504,
0
],
[
0,
0,
2.417456
]
] | -28.739616 | [
3.593,
-0.313,
0.171,
0.014
] | [
[
0,
0,
0.00285001
],
[
0,
0,
0.00228342
],
[
0,
0,
0.00257096
],
[
0,
0,
-0.00770439
]
] | 3.854144 | 3.724872 | pbe | true | 8f6d2dd291ae3fefff4b40ad88c7ba3d_35_Zr2Cr1Cl1 |
[
"Cl",
"Sb",
"W"
] | 4 | A2BC | Cl2SbW | Sb1 W1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
4.48523383,
0,
0
],
[
0,
3.04928007,
0.07259284
],
[
0,
0.40208685,
7.26392902
]
] | agm003873369 | [
[
0,
2.244153027654738,
4.225529560704849
],
[
2.242616915,
2.74547737280687,
6.21189721354227
],
[
0,
2.8331211057283885,
7.04270872496215
],
[
2.242616915,
0.805665789789135,
0.8611690781514412
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}] | [
"Sb",
"W",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-0.62952757,
0,
0
],
[
0,
1.9556346,
0.7516281
],
[
0,
0.7516281,
1.2729695
]
] | -20.091774 | [
0,
0,
0,
0
] | [
[
0,
-0.01078997,
-0.01303459
],
[
0,
0.00010177,
0.02023028
],
[
0,
0.01845614,
-0.02184508
],
[
0,
-0.00776794,
0.01464939
]
] | -0 | 1.714641 | pbe | true | c85c064cc4e9d7e0055c2663748b5d10_6_Sb1W1Cl2 |
[
"Ce",
"Pu",
"S"
] | 15 | A8B6C | CePu6S8 | Ce1 Pu6 S8 | 3 | [
1,
1,
1
] | 3 | [
[
6.88670393,
0,
3.9760407
],
[
2.29556764,
6.49284709,
3.9760407
],
[
0,
0,
7.95208041
]
] | agm006052554 | [
[
0,
0,
0
],
[
1.14778382,
3.246423545,
5.964060555
],
[
3.443351965,
0,
1.98802035
],
[
4.5911357850000005,
3.246423545,
3.9760407
],
[
0,
0,
3.976040205
],
[
1.14778382,
3.246423545,
1.98802035
],
[
3.443351965,
0,
5.964060555
],
[
6.8867036775,
4.8696353175,
11.9281213575
],
[
2.2955678925000003,
1.6232117725,
3.9760404525
],
[
5.738326774514059,
1.6240505184870861,
5.9650880522473635
],
[
3.443944795485942,
4.868796571512914,
9.939073757752636
],
[
2.2967540583414126,
1.6240505184870861,
7.952080657627889
],
[
6.8855175116585885,
4.868796571512914,
7.952081152372112
],
[
5.738326774514059,
1.6240505184870861,
9.939073757752636
],
[
3.443944795485942,
4.868796571512914,
5.965088052247364
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Ce",
"Pu",
"Pu",
"Pu",
"Pu",
"Pu",
"Pu",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.06666666666666667,
0.4,
0.5333333333333333
] | [
[
0.38967207,
-2e-8,
3e-8
],
[
-2e-8,
0.38967213,
2e-8
],
[
3e-8,
2e-8,
0.38967204
]
] | -151.548987 | [
0.924,
5.354,
5.354,
5.354,
5.354,
5.354,
5.354,
-0.133,
-0.133,
-0.104,
-0.104,
-0.104,
-0.104,
-0.104,
-0.104
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00021279,
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-0.00036856
],
[
-0.00021279,
0.00030093,
0.00036856
],
[
-0.00042557,
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0
],
[
0.00042557,
0.00030093,
0
],
[
0.00021279,
-0.00030093,
0.00036856
],
[
-0.00021279,
0.00030093,
-0.00036856
]
] | 34.742157 | 58.068443 | pbe | true | e61a1b4d0929a46f0d4726f2d7e270e5_225_Ce1Pu6S8 |
[
"Ce",
"Pu",
"Tb"
] | 3 | ABC | CePuTb | Tb1 Ce1 Pu1 | 3 | [
1,
1,
1
] | 3 | [
[
3.18723625,
0,
0
],
[
0,
5.55274643,
0
],
[
0,
-2.77637321,
4.80881947
]
] | agm001276538 | [
[
0.531527803790225,
2.7763732444303986,
1.6029398073039351
],
[
0.5307599029605126,
0,
0
],
[
2.1249485432492627,
-2.4430398975539282e-8,
3.205879662696065
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Tb",
"Ce",
"Pu"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.9158621,
0,
0
],
[
0,
1.6789433,
0
],
[
0,
0,
1.6789433
]
] | -24.179329 | [
0.024,
-0.358,
-5.375
] | [
[
-0.00027878,
0,
0
],
[
0.00067701,
0,
0
],
[
-0.00039823,
0,
0
]
] | -6.087493 | 11.674633 | pbe | true | 600e26ef82cf5a7d57bbec79178c19e4_187_Tb1Ce1Pu1 |
[
"Cl",
"Sb",
"Zn"
] | 4 | A2BC | ClSb2Zn | Zn1 Sb2 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
5.32300258,
0,
0
],
[
0,
5.32300258,
0
],
[
0,
0,
3.28245304
]
] | agm003969651 | [
[
0,
2.66150129,
1.64122652
],
[
0,
0,
0
],
[
2.66150129,
2.66150129,
0
],
[
2.66150129,
0,
1.64122652
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Cl",
"Sb",
"Sb",
"Zn"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.0177401,
0,
0
],
[
0,
1.0177401,
0
],
[
0,
0,
0.70098436
]
] | -10.759691 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000011 | 2.750892 | pbe | true | 3549b1af35d74e9bf4c9b273d1ea1d85_123_Zn1Sb2Cl1 |
[
"Cl",
"Sc",
"Se"
] | 3 | ABC | ClScSe | Sc1 Se1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
7.18494188,
0.00018114,
0
],
[
5.63126507,
4.46231371,
0
],
[
-6.4081029,
-2.23124722,
2.36244427
]
] | agm004088037 | [
[
12.206420153853518,
4.250172245658653,
0
],
[
4.175827300628522,
1.4539877435066062,
0
],
[
2.84206354551796,
0.9895824908347413,
2.36244427
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Cl",
"Sc",
"Se"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.9775679,
0.05306453,
2e-7
],
[
0.05306453,
0.84364414,
7e-8
],
[
2e-7,
7e-8,
0.8251687
]
] | -16.108698 | [
0,
0,
0
] | [
[
-0.00317563,
-0.00110573,
0
],
[
0.00188554,
0.00065653,
0
],
[
0.00129009,
0.0004492,
0
]
] | -0.000001 | 0.840488 | pbe | true | 4ced42f393add62059f02b3882a4d858_107_Sc1Se1Cl1 |
[
"O",
"Sc",
"Sr",
"V"
] | 10 | A6B2CD | O6ScSr2V | Sr2 Sc1 V1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.63472606,
0,
0
],
[
2.81736303,
4.87981591,
0
],
[
2.81736303,
1.62660531,
4.60073457
]
] | agm002299526 | [
[
0,
0,
0
],
[
2.81736303,
1.626605305,
1.1501836425
],
[
8.452089090000001,
4.879815915,
3.4505509275
],
[
5.63472606,
4.805136318328447,
3.397744478230417
],
[
6.97873314718675,
2.4772477582209977,
3.397744478230417
],
[
4.2907189728132495,
4.029173461779002,
1.2029900917695833
],
[
6.97873314718675,
4.029173461779002,
1.2029900917695833
],
[
5.634726059999999,
1.7012849016715526,
1.2029900917695833
],
[
4.29071897281325,
2.4772477582209977,
3.397744478230417
],
[
5.63472606,
3.25321061,
2.300367285
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Sc",
"Sr",
"Sr",
"O",
"O",
"O",
"O",
"O",
"O",
"V"
] | 2023-11-16 06:57:59 | [
0.6,
0.1,
0.2,
0.1
] | [
[
1.0289274,
0,
0
],
[
0,
1.0289274,
0
],
[
0,
0,
1.0289274
]
] | -74.893526 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00117495,
-0.00083082
],
[
-0.00101754,
0.00058748,
-0.00083082
],
[
0.00101754,
-0.00058748,
0.00083082
],
[
-0.00101754,
-0.00058748,
0.00083082
],
[
0,
0.00117495,
0.00083082
],
[
0.00101754,
0.00058748,
-0.00083082
],
[
0,
0,
0
]
] | 0 | 0 | pbe | true | 1da04a421b18eecf2fef89bb72e242d9_225_Sr2Sc1V1O6 |
[
"O",
"Sc",
"Tc",
"Tm"
] | 5 | A2BCD | OSc2TcTm | Tm1 Sc2 Tc1 O1 | 4 | [
1,
1,
1
] | 3 | [
[
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[
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[
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"Zr",
"Zr",
"Zr",
"Zr",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
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[
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] | 0.000009 | 9.403139 | pbe | true | b48b5b838957d7828e128199c9482bc5_194_Zr4Rh4 |
[
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1,
1
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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.6,
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[
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] | 3.999991 | -0.00066 | pbe | true | b07cfd87a467273583bf462ca8f20e26_15_Sm2Tl2V4O12 |
[
"Ce",
"Re",
"Sc"
] | 4 | A2BC | CeReSc2 | Ce1 Sc2 Re1 | 3 | [
1,
1,
1
] | 3 | [
[
3.23883457,
0,
0
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[
0,
3.23883457,
0
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[
0,
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] | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Sc",
"Re",
"Ce"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
0,
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[
0,
0,
0
]
] | 1.257644 | 9.534905 | pbe | true | 69bc3bade7359bc07200ac59a1f95436_123_Ce1Sc2Re1 |
[
"Ru",
"Sb"
] | 6 | A5B | RuSb5 | Sb5 Ru1 | 2 | [
1,
1,
1
] | 3 | [
[
2.10228119,
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0
],
[
2.10228119,
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0
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[
0,
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] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Sb",
"Sb",
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"Sb",
"Sb",
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] | 2023-11-16 06:57:59 | [
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[
0,
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0
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[
0,
0.00056615,
0
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] | -0 | 2.48395 | pbe | true | 92bfedf8302f59bedfea3ffe12551365_65_Sb5Ru1 |
[
"Cl",
"Si",
"Tc"
] | 3 | ABC | ClSiTc | Si1 Tc1 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
6.34982479,
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[
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Cl",
"Si",
"Tc"
] | 2023-11-16 06:57:59 | [
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[
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] | -17.512279 | [
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[
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]
] | -0.000002 | 1.384715 | pbe | true | c91a04e53850ee6e2993a91b64722191_44_Si1Tc1Cl1 |
[
"Os",
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] | 12 | A2B | OsTc2 | Tc8 Os4 | 2 | [
1,
1,
1
] | 3 | [
[
2.70869244,
0,
0
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[
0,
4.1478306,
0
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[
0,
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] | agm005513994 | [
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] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"Os",
"Os",
"Os",
"Os",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
0,
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0
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[
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] | -122.561008 | [
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[
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[
0,
0,
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[
0,
0,
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] | -0.000017 | 12.360449 | pbe | true | 1e1b63bace6ade2551dc70aed1a11b37_74_Tc8Os4 |
[
"Ce",
"Rh",
"Si"
] | 8 | A2BC | CeRhSi2 | Ce2 Si4 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
4.16035091,
0,
0
],
[
0,
4.17887976,
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[
0,
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] | agm002186425 | [
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[
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] | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Si",
"Si",
"Si",
"Si",
"Rh",
"Rh",
"Ce",
"Ce"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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[
0,
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[
0,
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] | -55.728536 | [
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0.002,
0.001
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[
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[
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[
0,
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[
0,
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]
] | 0.004768 | 8.021936 | pbe | true | 588b9f64f4aec5321b7825c9310e7937_63_Ce2Si4Rh2 |
[
"Pa",
"Tb"
] | 4 | AB | PaTb | Pa1 Tb1 | 2 | [
1,
1,
1
] | 3 | [
[
3.656564769,
0,
0
],
[
-1.828282384,
3.16667798,
0
],
[
0,
0,
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]
] | oqmd-5383583 | [
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[
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[
0,
0,
0
],
[
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4.4089699999999965
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] | [{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}] | [
"Pa",
"Pa",
"Tb",
"Tb"
] | 2024-11-01 00:00:00 | [
0.5,
0.5
] | [
[
36.41027295,
0,
0
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[
0,
36.41027295,
0
],
[
0,
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] | -24.3246 | [
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[
0,
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[
0,
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[
0,
0,
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]
] | 0.626311 | null | pbe | true | 4057cf6864e6dab560adbdec726b6f5c_194_Tb2Pa2 |
[
"Ru",
"Sc"
] | 6 | A2B | Ru2Sc | Sc2 Ru4 | 2 | [
1,
1,
1
] | 3 | [
[
-1.92509674,
1.92509674,
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],
[
1.92509674,
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[
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] | agm005471420 | [
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[
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[
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0.15384615384615385,
0.07692307692307693
] | [] | -333.585953 | [
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] | [] | 0 | 2.741246 | pbe | true | bf9a22dae3f7395965b385352b419204_14_U4Tl8Te8O32 |
[
"Bi",
"K",
"Rb"
] | 5 | A3BC | BiKRb3 | K1 Rb3 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
7.04733321,
0,
0
],
[
0,
7.04733321,
0
],
[
0,
0,
7.04733321
]
] | agm002503877 | [
[
0,
0,
0
],
[
3.523666605,
3.523666605,
3.523666605
],
[
0,
3.523666605,
0
],
[
0,
0,
3.523666605
],
[
3.523666605,
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0
]
] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"K",
"Bi",
"Rb",
"Rb",
"Rb"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.9458371,
0,
0
],
[
0,
0.9458371,
0
],
[
0,
0,
0.9458371
]
] | -5.834408 | [
0.022,
0.343,
0.009,
0.013,
0.006
] | [
[
0,
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[
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.94798 | 6.064502 | pbe | true | b238a24f6f93d84443d205768972543f_221_K1Rb3Bi1 |
[
"Bi",
"K",
"Tl"
] | 4 | A2BC | BiKTl2 | K1 Tl2 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
4.19705197,
0,
0
],
[
0,
4.19705197,
0
],
[
0,
0,
7.90429851
]
] | agm001147424 | [
[
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0
],
[
0,
0,
5.6087560077073
],
[
0,
0,
2.2955425022926996
],
[
2.098525985,
2.098525985,
3.952149255
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}] | [
"K",
"Tl",
"Tl",
"Bi"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.4156992,
0,
0
],
[
0,
3.4156992,
0
],
[
0,
0,
3.1253388
]
] | -10.318323 | [
0,
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0
] | [
[
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[
0,
0,
0.0043709
],
[
0,
0,
-0.0043709
],
[
0,
0,
0
]
] | -0.000004 | 1.732382 | pbe | true | 3c16ecb5559759342c427c199c075a00_123_K1Tl2Bi1 |
[
"Bi",
"K",
"Tl"
] | 8 | A2BC | BiK2Tl | K4 Tl2 Bi2 | 3 | [
1,
1,
1
] | 3 | [
[
5.22006365,
0,
0
],
[
0,
5.22006365,
0
],
[
2.61003182,
2.61003182,
12.0744625
]
] | agm002842031 | [
[
3.9309847471753594,
1.30501591125,
3.018615625
],
[
1.2890789003246406,
3.91504773625,
3.018615625
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[
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0
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6.03723125
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[
0,
0,
0
],
[
5.2200636475,
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6.03723125
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}] | [
"K",
"K",
"K",
"K",
"Tl",
"Tl",
"Bi",
"Bi"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.2638102,
0,
0
],
[
0,
2.2638102,
0
],
[
0,
0,
1.5820943
]
] | -16.684894 | [
0,
0,
0,
0,
0,
0,
0,
0
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[
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0,
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[
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[
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0
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[
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[
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],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 8.248071 | pbe | true | 7058c46b40b03a4b96cbe6ac2d4f2114_122_K4Tl2Bi2 |
[
"Mo",
"Os",
"Pb"
] | 4 | A2BC | Mo2OsPb | Mo2 Os1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.245205,
3.245205
],
[
3.245205,
0,
3.245205
],
[
3.245205,
3.245205,
0
]
] | oqmd-2350167 | [
[
0,
0,
0
],
[
4.867810000000001,
4.867810000000001,
4.867810000000001
],
[
1.6226099999999997,
1.6226099999999997,
1.6226099999999997
],
[
3.2452000000000023,
3.2452000000000023,
3.2452000000000023
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}] | [
"Mo",
"Mo",
"Os",
"Pb"
] | 2024-11-01 00:00:00 | [
0.5,
0.25,
0.25
] | [
[
14.47404,
0,
0
],
[
0,
14.47404,
0
],
[
0,
0,
14.47404
]
] | -33.78 | [
0.234,
0.004,
0.032,
0.003
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.307517 | null | pbe | true | f905d25740670ede9a2a3f4c6197f505_216_Mo2Os1Pb1 |
[
"Mo",
"Os",
"Si"
] | 4 | A2BC | Mo2OsSi | Si1 Mo2 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.09133635,
3.09133635
],
[
3.09133635,
0,
3.09133635
],
[
3.09133635,
3.09133635,
0
]
] | agm002738842 | [
[
1.545668175,
1.545668175,
1.545668175
],
[
4.637004525,
4.637004525,
4.637004525
],
[
3.09133635,
3.09133635,
3.09133635
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Mo",
"Mo",
"Os",
"Si"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
9.494427,
0,
0
],
[
0,
9.494427,
0
],
[
0,
0,
9.494427
]
] | -37.7803 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 5.921139 | pbe | true | bba2be405138a10be237e9961421b2f8_225_Si1Mo2Os1 |
[
"Sc",
"Zr"
] | 5 | A4B | ScZr4 | Zr4 Sc1 | 2 | [
1,
1,
1
] | 3 | [
[
-2.09487739,
2.09487739,
7.06668655
],
[
2.09487739,
-2.09487739,
7.06668655
],
[
2.09487739,
2.09487739,
-7.06668655
]
] | agm005418449 | [
[
2.220446049250313e-16,
2.0948773899999997,
3.533343275
],
[
8.806375287284141e-17,
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8.399793647591885
],
[
2.822530273439128e-17,
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5.733579452408115
],
[
2.09487739,
0,
3.533343275
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Zr",
"Zr",
"Zr",
"Zr",
"Sc"
] | 2023-11-16 06:57:59 | [
0.2,
0.8
] | [
[
4.4287386,
0,
0
],
[
0,
4.4287386,
0
],
[
0,
0,
4.288916
]
] | -38.754963 | [
0,
0,
0,
0,
0
] | [
[
0,
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0
],
[
0,
0,
0.03427119
],
[
0,
0,
-0.03427119
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000004 | 7.503472 | pbe | true | 801fc59cbfe71e6332ccc637496aefff_139_Zr4Sc1 |
[
"Os",
"Pa",
"Ru",
"Si"
] | 5 | A2BCD | OsPaRuSi2 | Pa1 Si2 Os1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
4.17676301,
0,
0
],
[
0,
4.17676301,
0
],
[
-2.0883815,
-2.0883815,
4.78584237
]
] | agm005018358 | [
[
0,
0,
0
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[
2.0883814853831018,
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1.2126526765656922
],
[
2.4616898374806344e-8,
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[
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2.392921185
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[
2.0883815075000003,
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2.392921185
]
] | [{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Pa",
"Si",
"Si",
"Os",
"Ru"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
5.023147,
0,
0
],
[
0,
5.023147,
0
],
[
0,
0,
4.9704585
]
] | -44.754256 | [
0,
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
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0.00111107
],
[
0,
0,
-0.00111107
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.00001 | 2.749915 | pbe | true | ff2a0b3018034932a354d661f4632d22_119_Pa1Si2Os1Ru1 |
[
"Sm",
"Tb",
"Te",
"Tl"
] | 12 | A3BCD | SmTbTe3Tl | Sm1 Tb1 Te3 Tl1 | 4 | [
1,
1,
1
] | 3 | [
[
2.228680967,
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0
],
[
2.228680967,
7.645841248,
0
],
[
0,
0,
12.134948134
]
] | oqmd-7481850 | [
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2.22868,
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[
2.22868,
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[
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[
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[
2.22868,
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] | [{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}] | [
"Sm",
"Sm",
"Tb",
"Tb",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Tl",
"Tl"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
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0
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[
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0
],
[
0,
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] | -53.8724 | [
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0.042,
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-0.003,
-0.001,
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-0.001,
0.022,
0.022
] | [
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[
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[
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[
0,
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0
],
[
0,
0.039709,
0
]
] | 0.606606 | null | pbe | true | 2bc91af4d843661309c5f0e7ecaffc1b_63_Tb2Sm2Tl2Te6 |
[
"C",
"H",
"N",
"Ni",
"O"
] | 42 | A8B6C4D2E | C4H8N2NiO6 | C8 H16 N4 Ni2 O12 | 5 | [
1,
1,
1
] | 3 | [
[
6.79484081,
0,
-3.44050192
],
[
0,
10.49657511,
0
],
[
0.16852394,
0,
9.10430609
]
] | mp-1195088 | [
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