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[
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[
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] | 10.296 | 1.320616 | pbe | true | e93285aba9416ea314e19acf3936ab43_14_U10Pb4O44 |
[
"Co",
"H",
"V"
] | 4 | A2BC | CoH2V | V1 Co1 H2 | 3 | [
1,
1,
1
] | 3 | [
[
2.70867476,
0,
0
],
[
1.35433738,
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0
],
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1.35433738,
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] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"H",
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] | 2023-11-16 06:57:59 | [
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0,
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] | 0.00021 | 2.873823 | pbe | true | bae49f2d64fbfec7fb6de037f513ca0e_166_V1Co1H2 |
[
"Er",
"Sb",
"Sn"
] | 4 | A2BC | ErSb2Sn | Er1 Sn1 Sb2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.11977787,
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[
0,
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"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
]
] | -0.000009 | 2.364598 | pbe | true | 27e5acb97266b1a2ed1a72fa41934ae2_123_Er1Sn1Sb2 |
[
"Eu",
"Os",
"U"
] | 4 | A2BC | EuOs2U | Eu1 U1 Os2 | 3 | [
1,
1,
1
] | 3 | [
[
3.48589779,
0,
0
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[
1.7429489,
3.01887604,
0
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[
1.7429489,
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] | [{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}] | [
"Eu",
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"Os",
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] | 2023-11-16 06:57:59 | [
0.25,
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] | -42.784246 | [
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0.22
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0,
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[
0,
0,
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[
0,
0,
0
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] | 7.199035 | 5.17169 | pbe | true | 75654d775d2d9d6486718feb465b5c03_166_Eu1U1Os2 |
[
"Fe",
"P",
"Sr"
] | 4 | A2BC | FePSr2 | Sr2 Fe1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
5.09420904,
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[
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Fe",
"P",
"Sr",
"Sr"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
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] | -17.182155 | [
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 3.084491 | 4.122536 | pbe | true | a43de8639967735d8b9f72fe0b218939_123_Sr2Fe1P1 |
[
"Fe",
"S",
"V"
] | 28 | A4B2C | FeS4V2 | V8 Fe4 S16 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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[
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[
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[
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}] | [
"Li",
"Li",
"Tl",
"Zr"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
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[
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0
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[
0,
2.5328617,
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[
0,
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]
] | -14.551355 | [
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0,
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[
0,
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[
0,
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]
] | 0 | 1.295759 | pbe | true | 4b4c163e14fd8dd9fbd40ca9fa6246a5_6_Li2Zr1Tl1 |
[
"Si",
"W",
"Y"
] | 4 | A2BC | SiW2Y | Y1 Si1 W2 | 3 | [
1,
1,
1
] | 3 | [
[
4.48472384,
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[
3.26025543,
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1.13403931,
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"Si",
"W",
"W",
"Y"
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0.5,
0.25
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[
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[
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] | -0.000001 | 2.905297 | pbe | true | c5323d9c4ba3b47a7f35e2a6838e9f9f_8_Y1Si1W2 |
[
"Ta",
"Tl",
"Zn"
] | 4 | A2BC | TaTlZn2 | Ta1 Tl1 Zn2 | 3 | [
1,
1,
1
] | 3 | [
[
5.16645468,
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[
-1.90392236,
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[
0.04483168,
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Ta",
"Tl",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
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[
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[
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[
0,
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[
0,
0,
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] | 0.000004 | 1.60014 | pbe | true | e01366228f70a3abc71f76d4ccb8d38b_65_Ta1Tl1Zn2 |
[
"Ag",
"I",
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"Ru"
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1,
1,
1
] | 3 | [
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5.18006919,
0,
0
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[
0,
4.90130677,
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[
0,
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] | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"I",
"Re",
"Ag",
"Ag",
"Ru"
] | 2023-11-16 06:57:59 | [
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0.2,
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0.2
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[
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[
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[
0,
0,
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[
0,
0,
0
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] | 2.668816 | 4.371954 | pbe | true | adfd68d83f5af2d70536e041852f6a3d_123_Re1Ag2Ru1I1 |
[
"Au",
"Cu",
"Pa",
"Sn"
] | 4 | ABCD | AuCuPaSn | Pa1 Cu1 Sn1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
2.44500747,
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0
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2.44500747,
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"Pa",
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[
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[
0,
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0
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] | -0.002381 | 4.652081 | pbe | true | dab3fa0fd70a1f88fb4975e5848ee1a4_216_Pa1Cu1Sn1Au1 |
[
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"F",
"K",
"Zn"
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1,
1,
1
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] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"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": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
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[
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] | 0.994819 | 2.771275 | pbe | true | f9790b5a911b160e59747c7b0d79ea05_2_K2Zn1Bi1F8 |
[
"Cd",
"Cu",
"Tb",
"Zn"
] | 18 | A12B3C2D | CdCu3Tb2Zn12 | Tb2 Zn12 Cd1 Cu3 | 4 | [
1,
1,
1
] | 3 | [
[
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"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Cd",
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] | 0.000003 | 6.907455 | pbe | true | 3060cde96082e689afd4b12b7685909b_166_Tb2Zn12Cd1Cu3 |
[
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1,
1,
1
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"Se",
"Se",
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] | 2023-11-16 06:57:59 | [
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[
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] | -94.196094 | [
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3.805,
3.742,
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0.003,
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[
0.00114985,
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]
] | 11.001946 | 26.955711 | pbe | true | e12caa2638020e68c42403402dd016a3_12_K4Np3Pt1Se8 |
[
"Na",
"Pm",
"S",
"U"
] | 14 | A4BCD | NaPmS4U | Na2 Pm2 U2 S8 | 4 | [
1,
1,
1
] | 3 | [
[
8.19283178,
0,
0
],
[
-4.09641589,
7.1316066,
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],
[
0,
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] | agm005061612 | [
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4.677267382840391
],
[
-4.0964158732059454e-8,
2.425445103359041,
1.792227194545238
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"Na",
"Na",
"Pm",
"Pm",
"U",
"U",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.14285714285714285,
0.5714285714285714,
0.14285714285714285
] | [
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0
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[
0,
0.40264988,
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],
[
0,
0.12261284,
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]
] | -90.152086 | [
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0.025,
2.025,
2.025,
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-0.031,
-0.048,
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0,
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[
0.00551276,
0.000518,
0.00031499
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[
0,
-0.00204411,
0.0019009
]
] | 4.000014 | 9.156828 | pbe | true | 05db2e4ab97c9383c7fe103c39f38de5_74_Na2Pm2U2S8 |
[
"Br",
"Mn",
"Te"
] | 4 | A2BC | BrMn2Te | Mn2 Te1 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
6.89379197,
0.00040935,
0.00025207
],
[
5.64406443,
3.95839672,
0.00025207
],
[
5.64406443,
1.7821034,
3.53454553
]
] | agm004376095 | [
[
13.6364406225,
4.3056821025000005,
2.6512872525
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[
17.973842927998895,
5.675209239025237,
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1.8079807211344074
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4.5454802075,
1.4352273675,
0.8837624175
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Br",
"Mn",
"Mn",
"Te"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.6531411,
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[
0.0502267,
1.5099281,
0.00976541
],
[
0.03092783,
0.00976541,
1.5000824
]
] | -23.0506 | [
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4.109,
4.109,
0.066
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[
0,
0,
0
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[
0.00322274,
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[
-0.00322274,
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[
0,
0,
0
]
] | 9.064893 | 2.085265 | pbe | true | 5e06e842e2896cf025d0ac9a73d5e014_166_Mn2Te1Br1 |
[
"C",
"Hf",
"Te"
] | 4 | A2BC | CHfTe2 | Hf1 Te2 C1 | 3 | [
1,
1,
1
] | 3 | [
[
1.96432003,
0,
8.69863954
],
[
-0.98216001,
1.70115105,
8.69863954
],
[
-0.98216001,
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]
] | agm002758109 | [
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5.000000080634948e-9,
0,
13.04795931
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[
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1.6933970517598595e-17,
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1.0820755141208127e-9,
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2.823775418869581
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[
0,
0,
0
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}] | [
"C",
"Te",
"Te",
"Hf"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.9729854,
0,
0
],
[
0,
0.9729854,
0
],
[
0,
0,
0.14043918
]
] | -20.703902 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
-0.00595306
],
[
0,
0,
0.00595306
],
[
0,
0,
0
]
] | 0 | 3.387032 | pbe | true | e40760b2be7734624be3db47cb790b78_166_Hf1Te2C1 |
[
"Ca",
"Ho",
"In"
] | 10 | A5B4C | CaHo4In5 | Ca1 Ho4 In5 | 3 | [
1,
1,
1
] | 3 | [
[
3.74331135,
0,
0
],
[
0,
3.74331135,
0
],
[
0,
0,
19.09059374
]
] | agm003650042 | [
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0,
0,
0
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[
0,
0,
3.886361320724566
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[
0,
0,
7.673322692493386
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[
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[
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1.871655675,
13.297670858560377
],
[
1.871655675,
1.871655675,
17.073779991411755
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}] | [
"Ca",
"Ho",
"Ho",
"Ho",
"Ho",
"In",
"In",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.1,
0.4,
0.5
] | [
[
3.055219,
0,
0
],
[
0,
3.055219,
0
],
[
0,
0,
3.193394
]
] | -38.548525 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
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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[
0,
0,
0
],
[
0,
0,
0.00225049
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[
0,
0,
0.00183485
]
] | -0 | 5.698345 | pbe | true | aab34be9121dd6fcd5abd1a6b973fd28_123_Ca1Ho4In5 |
[
"Re",
"Sr",
"Te"
] | 4 | A2BC | ReSrTe2 | Sr1 Re1 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
3.48409787,
0,
0
],
[
0,
3.48409787,
0
],
[
0,
0,
7.92903533
]
] | agm004311219 | [
[
1.742048935,
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1.9822588325
],
[
1.742048935,
1.742048935,
5.9467764975
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[
0,
0,
0.37556081995463575
],
[
0,
0,
3.588956845045364
]
] | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Re",
"Sr",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.547684,
0,
0
],
[
0,
3.547684,
0
],
[
0,
0,
3.5807538
]
] | -19.628798 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0.00013051
],
[
0,
0,
-0.00013051
]
] | 0.000094 | 4.512642 | pbe | true | 2525d3869ba6a04694ce01a9aedd53d0_123_Sr1Re1Te2 |
[
"Ac",
"P",
"Pr",
"Y"
] | 8 | A4B2CD | Ac2P4PrY | Ac2 Pr1 Y1 P4 | 4 | [
1,
1,
1
] | 3 | [
[
4.28136495,
-0.000002,
-0.00000133
],
[
0.0000452,
7.42260862,
-0.1535896
],
[
0.00004031,
2.60517324,
6.93425882
]
] | agm004818685 | [
[
0.00004031000489,
2.60517805743538,
6.93425173215158
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[
2.14070263000489,
1.30259043743538,
3.4671216571515804
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[
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[
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[
4.281369899140507,
2.6225172923173328,
1.6908629633075054
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[
2.140734613685648,
6.108720593570232,
1.6965144537707606
],
[
2.1407115649542923,
3.9190640838671484,
5.084146348382149
]
] | [{"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Ac",
"Ac",
"Pr",
"Y",
"P",
"P",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.125,
0.125
] | [
[
0.29756138,
0.000002,
9e-7
],
[
0.000002,
0.36041617,
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],
[
9e-7,
-0.02265182,
0.32473314
]
] | -52.973899 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
3e-8,
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[
-3e-8,
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[
1e-8,
0.00056816,
0.00093534
],
[
-1e-8,
-0.00056816,
-0.00093534
]
] | 0 | 0.603875 | pbe | true | 9d8733a74fbb9b595519129f16b4b001_10_Ac2Pr1Y1P4 |
[
"Ag",
"H",
"In",
"K"
] | 10 | A6B2CD | AgH6InK2 | K2 In1 Ag1 H6 | 4 | [
1,
1,
1
] | 3 | [
[
5.71801179,
-0.01902191,
-0.00122728
],
[
-0.0190596,
5.71801631,
-0.00128309
],
[
2.84856012,
2.84862091,
4.07648108
]
] | agm004930190 | [
[
5.707687689654271,
2.8398779165100456,
2.0369938007469033
],
[
2.839819492484141,
5.707731519826069,
2.036982620510002
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[
5.6989568448725985,
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[
5.698033477339234,
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[
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[
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[
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[
4.280572940601649,
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[
1.445593517212573,
1.4456367630296623,
0.00035226824355899994
],
[
5.698922458103155,
5.698979142914687,
2.032722844418353
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"K",
"K",
"In",
"Ag",
"H",
"H",
"H",
"H",
"H",
"H"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.1,
0.2
] | [
[
9.417498,
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0.0663765
],
[
-0.30885094,
9.417118,
0.06643388
],
[
0.06637665,
0.06643361,
9.835501
]
] | -28.083503 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00002003,
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[
0.00003617,
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[
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[
0.00001644,
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[
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[
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[
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[
0.00529369,
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9e-7
],
[
-0.00752808,
-0.00756102,
-0.00002908
],
[
0.00007185,
0.00007732,
-0.00730401
]
] | -0.000002 | 0.907916 | pbe | true | ba52c097ff11be38f4479b9f0da4c758_69_K2In1Ag1H6 |
[
"Br",
"Ca",
"Li",
"Np"
] | 12 | A8B2CD | Br8CaLi2Np | Li2 Ca1 Np1 Br8 | 4 | [
1,
1,
1
] | 3 | [
[
6.97627022,
-0.77749755,
0.00732947
],
[
-0.81473697,
7.1175468,
1.02260712
],
[
0.0503695,
1.29204428,
8.55190736
]
] | agm004890306 | [
[
3.549398286898228,
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[
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1
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[
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1
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[
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1
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[
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[
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1,
1
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] | 0 | 5.960983 | pbe | true | f8793222294a883b0b693dcc88b4ad33_166_La2Cu12Ni3Ag1 |
[
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1,
1,
1
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] | -0.000008 | 4.44468 | pbe | true | 4afbc432f20230828cf5f59fdf9945cd_166_Sm2Th1Tl2Ag2 |
[
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1,
1,
1
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"Sb",
"Te",
"Te",
"Cd"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
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0,
0
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[
0,
2.084664,
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[
0,
0,
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] | -13.081836 | [
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0,
0,
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[
0,
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[
0,
0,
0
]
] | 0.000041 | 5.45902 | pbe | true | 303167334a142b3550dd7b82a8d2e04f_123_Cd1Sb1Te2Pb1 |
[
"Cl",
"Cu",
"F",
"Ir"
] | 12 | A6B3C2D | Cl2Cu3F6Ir | Cu3 Ir1 Cl2 F6 | 4 | [
1,
1,
1
] | 3 | [
[
4.67283561,
0,
0.19730781
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[
0,
6.16483701,
0
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[
-0.42073364,
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]
] | agm004662698 | [
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0
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}] | [
"Cu",
"Cu",
"Cu",
"Ir",
"Cl",
"Cl",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.25,
0.5,
0.08333333333333333
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] | -49.673595 | [
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0.047,
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0.067,
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[
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] | 2.004751 | 10.017839 | pbe | true | f8f979a05b90851966a150099398f709_12_Cu3Ir1Cl2F6 |
[
"Cl",
"P",
"S",
"Y"
] | 5 | A2BCD | ClP2SY | Y1 P2 S1 Cl1 | 4 | [
1,
1,
1
] | 3 | [
[
4.56788554,
0,
0
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[
0,
4.56788554,
0
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[
0,
0,
4.87394604
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] | agm001764344 | [
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[
0,
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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": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"P",
"P",
"S",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
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[
0,
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[
0,
0,
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]
] | 0.058403 | 5.441241 | pbe | true | 542a73ac4fabb69270f0a97af5f4f8bd_123_Y1P2S1Cl1 |
[
"Co",
"Hg",
"Ho",
"Pm"
] | 4 | ABCD | CoHgHoPm | Pm1 Ho1 Co1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
5.08634337,
0,
0
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[
2.54317168,
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0
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[
2.54317168,
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[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"Pm",
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"Ho"
] | 2023-11-16 06:57:59 | [
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0.25,
0.25
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[
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[
0,
0,
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0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.474508 | 2.892635 | pbe | true | 8829142b13cd83fa076df8259ed57ca1_216_Pm1Ho1Co1Hg1 |
[
"Na",
"Nb",
"Te",
"V"
] | 12 | A6B3C2D | Na3NbTe6V2 | Na3 Nb1 V2 Te6 | 4 | [
1,
1,
1
] | 3 | [
[
6.75656668,
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[
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] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "V", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["V"]}] | [
"Na",
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"Na",
"Nb",
"V",
"V",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5,
0.16666666666666666
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[
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[
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[
-0.00183607,
0.00183675,
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]
] | 0.133182 | 5.24176 | pbe | true | 5c0ffe8de5ccf667ec80856048c70007_12_Na3Nb1V2Te6 |
[
"Eu",
"N",
"O",
"Ta"
] | 10 | A2BCD | EuNO2Ta | Eu1 N1 O2 Ta1 | 4 | [
1,
1,
1
] | 3 | [
[
-2.752777679,
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4.121686867
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]
] | oqmd-5532097 | [
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[
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] | [{"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}] | [
"Eu",
"Eu",
"N",
"N",
"O",
"O",
"O",
"O",
"Ta",
"Ta"
] | 2024-11-01 00:00:00 | [
0.2,
0.2,
0.4,
0.2
] | [
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0
],
[
0,
29.81493064,
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[
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] | -89.6145 | [
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0,
0,
0,
0,
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0,
0,
0,
0
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[
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[
0,
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[
0,
0,
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]
] | -0.000608 | null | pbe | false | 978a1e2c266dcaa4bd68d134943d1dd0_108_Eu2Ta2N2O4 |
[
"Cl",
"Er",
"Ga"
] | 16 | A5B2C | Cl5ErGa2 | Er2 Ga4 Cl10 | 3 | [
1,
1,
1
] | 3 | [
[
6.73368443,
0,
2.90371567
],
[
2.20634669,
8.6799245,
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[
0.14218848,
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]
] | agm005897183 | [
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[
1.840954809196117,
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Er",
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"Ga",
"Ga",
"Ga",
"Ga",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.625,
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0.25
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[
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[
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] | -63.591984 | [
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0,
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0,
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0,
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],
[
-0.00277335,
0.00067079,
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]
] | -0.000001 | 0 | pbe | true | bccf59f4e0dbde2b008fe3334eb105de_9_Er2Ga4Cl10 |
[
"Cl",
"La",
"O"
] | 5 | A3BC | ClLaO3 | La1 Cl1 O3 | 3 | [
1,
1,
1
] | 3 | [
[
4.42547872,
0,
0
],
[
0,
4.42547872,
0
],
[
0,
0,
4.42547872
]
] | agm002556725 | [
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[
0,
0,
2.21273936
],
[
2.21273936,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}] | [
"Cl",
"O",
"O",
"O",
"La"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
37.385403,
0,
0
],
[
0,
37.385403,
0
],
[
0,
0,
37.385403
]
] | -24.59246 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000312 | 9.036127 | pbe | true | 16d8c4019aa0cef03a8cbca1ff844214_221_La1Cl1O3 |
[
"Cl",
"Rh",
"Sr"
] | 8 | A6BC | Cl6RhSr | Sr1 Rh1 Cl6 | 3 | [
1,
1,
1
] | 3 | [
[
6.46392329,
0.00811253,
0.00800671
],
[
3.224224,
5.60454044,
0.01224763
],
[
3.22122788,
1.8616798,
5.87911662
]
] | agm003769054 | [
[
6.454687585,
3.737166385,
2.94968548
],
[
0,
0,
0
],
[
3.953024935812363,
3.646921370450124,
4.548222289026423
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[
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[
5.2830401873742,
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1.3430265352003365
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[
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1.3511486709735763
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[
7.6263349826258,
5.9437734238299536,
4.556344424799663
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Rh",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.75,
0.125,
0.125
] | [
[
0.8465663,
0.02044832,
-0.06075826
],
[
0.02044836,
0.88404334,
-0.02253722
],
[
-0.06075826,
-0.0225372,
0.9003223
]
] | -29.274217 | [
0,
0.47,
0.058,
0.058,
0.058,
0.058,
0.058,
0.058
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0.00100517,
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[
0.00200335,
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[
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[
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0.00008656,
0.00024924
],
[
-0.00200335,
-0.00014104,
0.00014454
]
] | 0.945347 | 7.653601 | pbe | true | a0cc156507e1a03388ac0f08237047a0_148_Sr1Rh1Cl6 |
[
"Co",
"Sr",
"Zr"
] | 4 | A2BC | CoSr2Zr | Sr2 Zr1 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
4.44204258,
-0.01094495,
0.04874686
],
[
2.81083473,
3.43963227,
0.04874686
],
[
1.9895393,
0.94052441,
8.9733198
]
] | agm004355224 | [
[
2.555022771270999,
1.2078481128347718,
3.390279731088211
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[
6.915044001397384,
3.2689817668011516,
0.89761789708605
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[
6.860070819302377,
3.2429940305606015,
5.99847698493426
],
[
4.786364705558011,
2.2626810390903485,
3.4173393878664173
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Co",
"Sr",
"Sr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.1860092,
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[
0.04931251,
1.1050076,
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],
[
0.0059722,
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1.0495083
]
] | -18.180824 | [
0,
0,
0,
0
] | [
[
0.00120448,
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[
-0.00132137,
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[
0.00340244,
0.00160845,
-0.00587527
],
[
-0.00328555,
-0.00155319,
-0.00152775
]
] | 0 | 5.349142 | pbe | true | f43d2c7ec074648bbc894c37ee325e46_8_Sr2Zr1Co1 |
[
"Fe",
"S",
"Tm"
] | 12 | A7B4C | FeS7Tm4 | Tm4 Fe1 S7 | 3 | [
1,
1,
1
] | 3 | [
[
1.86963257,
6.13673008,
0.00385074
],
[
-1.86963257,
6.13673008,
0.00385074
],
[
0,
2.84323811,
10.93114815
]
] | agm005257906 | [
[
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[
-2.7477295723247152e-17,
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[
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[
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[
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8.575474532393367
],
[
5.2284119762836666e-17,
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5.395457245181477
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Tm",
"Tm",
"Tm",
"Tm",
"Fe",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.5833333333333334,
0.3333333333333333
] | [
[
0.27256033,
0,
0
],
[
0,
0.19851345,
0.02598752
],
[
0,
0.02598752,
0.18549696
]
] | -75.693695 | [
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0.013,
0.013,
0.036,
3.373,
0.043,
0.079,
0.004,
0.005,
0.047,
0.006,
0.102
] | [
[
0,
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[
0,
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[
0,
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[
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[
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[
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0,
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[
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0,
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[
0,
-0.00043935,
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],
[
0,
0.00076058,
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]
] | 3.996678 | 3.778459 | pbe | true | 7e3426c92c78a7f3db09710d433ff78a_8_Tm4Fe1S7 |
[
"In",
"Ir",
"Pu"
] | 4 | A2BC | In2IrPu | Pu1 In2 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
3.13970835,
0,
0
],
[
1.56985417,
2.71906719,
0
],
[
1.56985417,
0.90635573,
10.70564172
]
] | agm002006087 | [
[
3.139708345,
1.81271146,
5.35282086
],
[
4.709564088853454,
2.71906809635573,
3.2140011876369177
],
[
1.5698526011465455,
0.9063548236442701,
7.491640532363082
],
[
0,
0,
0
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Ir",
"In",
"In",
"Pu"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
6.6531215,
0,
0
],
[
0,
6.6531215,
0
],
[
0,
0,
6.661296
]
] | -27.623449 | [
-0.173,
0.003,
0.003,
5.541
] | [
[
0,
0,
0
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[
0,
0,
0.0231464
],
[
0,
0,
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[
0,
0,
0
]
] | 5.721388 | 8.86465 | pbe | true | 1150a5d425feaf3ee7fc76df78186933_166_Pu1In2Ir1 |
[
"In",
"Os",
"Ta"
] | 4 | A2BC | InOsTa2 | Ta2 In1 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
4.6183922,
0,
0
],
[
0,
2.94817828,
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],
[
0,
0.77869275,
5.24279554
]
] | agm004265455 | [
[
0,
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[
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[
0,
0.7526060052372526,
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[
2.3091961,
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]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"In",
"Os",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
7.93129,
0,
0
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[
0,
7.419544,
-0.07088897
],
[
0,
-0.07088868,
8.196408
]
] | -37.212675 | [
0,
0,
0,
0
] | [
[
0,
0.00120269,
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[
0,
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],
[
0,
0.00604671,
0.0059528
],
[
0,
-0.00287052,
0.00699163
]
] | 0 | 2.998601 | pbe | true | 151e91244230fcc24c3d103b223b872f_6_Ta2In1Os1 |
[
"Li",
"Pt",
"Tl"
] | 4 | A2BC | LiPt2Tl | Li1 Tl1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
4.5533091,
0.00047825,
0.00033817
],
[
2.27706873,
3.94399873,
0
],
[
2.27706873,
1.31466624,
3.71843766
]
] | agm002158717 | [
[
2.276862231872198,
1.314785436989102,
0.9296936972769979
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[
4.554310834238554,
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3.718366880263224
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[
4.553550406575745,
2.629671392224793,
1.8594584716880054
],
[
6.830592887561968,
3.944352788632624,
2.7890786011642463
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Tl",
"Pt",
"Pt",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
6.970707,
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],
[
-0.3639488,
6.550455,
0.14858148
],
[
-0.25735065,
0.14858148,
6.445392
]
] | -17.351418 | [
0,
0,
0,
0
] | [
[
0.00000353,
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[
0.00126134,
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[
-0.00124448,
0.0007185,
0.00050806
],
[
-0.0000204,
0.00001178,
0.00000833
]
] | 0 | 2.283053 | pbe | true | ad3cda6c957347e26f619bf06a19d4a3_225_Li1Tl1Pt2 |
[
"Al",
"Os",
"Ta"
] | 5 | A3BC | AlOsTa3 | Ta3 Al1 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
4.5904654,
0,
0
],
[
0,
4.5904654,
0
],
[
0,
0,
4.5904654
]
] | agm002394342 | [
[
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[
0,
0,
0
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[
0,
2.2952327,
0
],
[
0,
0,
2.2952327
],
[
2.2952327,
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]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Os",
"Al",
"Ta",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
7.827575,
0,
0
],
[
0,
7.827575,
0
],
[
0,
0,
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]
] | -42.762572 | [
0,
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 5.560853 | pbe | true | 003a1f941bbcce5dbf121637081ea157_221_Ta3Al1Os1 |
[
"As",
"Cd",
"Tl"
] | 12 | A3B2C | As2CdTl3 | Tl6 Cd2 As4 | 3 | [
1,
1,
1
] | 3 | [
[
6.33377264,
-6e-8,
-2.62954797
],
[
-1.09108439,
6.14782707,
-2.62808805
],
[
-0.0401145,
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]
] | agm005857705 | [
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1.8833540754350782,
4.201734192708315,
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[
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],
[
4.951967681597887,
3.7761464479349796,
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]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}] | [
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Cd",
"Cd",
"As",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.5
] | [
[
3.9447649,
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[
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],
[
-0.0117403,
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]
] | -34.342557 | [
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0,
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] | [
[
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[
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],
[
0.00227734,
-0.00011811,
-0.00122176
],
[
-0.00227734,
0.00011811,
0.00122176
]
] | 0 | 3.071027 | pbe | true | a354f8489a57ccc9c9eb6ea5876aaf0f_72_Tl6Cd2As4 |
[
"B",
"Br",
"Ti"
] | 5 | A3BC | B3BrTi | Ti1 B3 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
4.08156942,
0,
0
],
[
0,
4.08156942,
0
],
[
0,
0,
4.08156942
]
] | agm002405903 | [
[
0,
2.04078471,
0
],
[
0,
0,
2.04078471
],
[
2.04078471,
0,
0
],
[
0,
0,
0
],
[
2.04078471,
2.04078471,
2.04078471
]
] | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"B",
"B",
"B",
"Br",
"Ti"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
-1.6120878,
0,
0
],
[
0,
-1.6120878,
0
],
[
0,
0,
-1.6120878
]
] | -18.178857 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000072 | 3.795773 | pbe | true | d042e9e4f9388fc968ac8372b4c7f114_221_Ti1B3Br1 |
[
"Be",
"Cs",
"Si"
] | 4 | A2BC | Be2CsSi | Cs1 Be2 Si1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.41564695,
3.41564695
],
[
3.41564695,
0,
3.41564695
],
[
3.41564695,
3.41564695,
0
]
] | agm002645411 | [
[
3.41564695,
3.41564695,
3.41564695
],
[
1.707823475,
1.707823475,
1.707823475
],
[
5.123470425000001,
5.123470425000001,
5.123470425000001
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Be",
"Be",
"Si"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-1.6586281,
0,
0
],
[
0,
-1.6586281,
0
],
[
0,
0,
-1.6586281
]
] | -8.391927 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.338911 | pbe | true | 03d00f564d616e0484ba56dd942c39af_225_Cs1Be2Si1 |
[
"Br",
"Hg",
"Mg"
] | 8 | A2BC | BrHgMg2 | Mg4 Hg2 Br2 | 3 | [
1,
1,
1
] | 3 | [
[
7.72139131,
0,
0
],
[
0,
7.72139131,
0
],
[
3.86069566,
3.86069566,
3.471804
]
] | agm002853213 | [
[
5.784403782148618,
1.93034782875,
0.867951
],
[
1.9369875303513822,
5.79104348375,
0.867951
],
[
5.7910434862499995,
5.797683187851383,
2.603853
],
[
9.65173914125,
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2.603853
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[
0,
0,
0
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[
7.7213913125,
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1.735902
],
[
3.860695655,
3.860695655,
0
],
[
3.8606956575,
7.7213913125,
1.735902
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Mg",
"Mg",
"Mg",
"Mg",
"Hg",
"Hg",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.2210393,
0,
0
],
[
0,
1.2210393,
0
],
[
0,
0,
2.0347807
]
] | -12.952834 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00247141,
0,
0
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[
-0.00247141,
0,
0
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[
0,
-0.00247141,
0
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[
0,
0.00247141,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.795476 | pbe | true | 93af2c0a7301d6d6859dfba44a2882f0_122_Mg4Hg2Br2 |
[
"Ca",
"Ir",
"La"
] | 4 | A2BC | CaIrLa2 | Ca1 La2 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
5.09441615,
0,
0
],
[
0,
5.10386213,
0
],
[
0,
0,
4.19922389
]
] | agm004103687 | [
[
2.547208075,
0,
2.099611945
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[
0,
2.551931065,
2.099611945
],
[
0,
0,
0
],
[
2.547208075,
2.551931065,
0
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Ca",
"Ir",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.7003828,
0,
0
],
[
0,
1.3027332,
0
],
[
0,
0,
1.3906269
]
] | -21.045959 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000075 | 4.829648 | pbe | true | a53902db311eb811e87f9d7c4ffb7aa2_123_Ca1La2Ir1 |
[
"Cd",
"Cr",
"Te"
] | 5 | A3BC | Cd3CrTe | Cr1 Cd3 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
5.3143245,
0,
0
],
[
0,
5.3143245,
0
],
[
0,
0,
5.3143245
]
] | agm002457959 | [
[
0,
0,
0
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[
2.65716225,
2.65716225,
2.65716225
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[
0,
2.65716225,
0
],
[
0,
0,
2.65716225
],
[
2.65716225,
0,
0
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Cr",
"Te",
"Cd",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
3.8097744,
0,
0
],
[
0,
3.8097744,
0
],
[
0,
0,
3.8097744
]
] | -12.550276 | [
3.836,
-0.06,
-0.005,
-0.004,
0.023
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.229582 | 3.730453 | pbe | true | 2b7f8f5dd136933cbb4552d027b8a94c_221_Cr1Cd3Te1 |
[
"Cd",
"Sr",
"Tl"
] | 14 | A3B3C | Cd3SrTl3 | Sr2 Tl6 Cd6 | 3 | [
1,
1,
1
] | 3 | [
[
7.183565,
-0.00001324,
0
],
[
3.59179397,
6.22114316,
0
],
[
3.59178632,
2.07370997,
9.22252017
]
] | agm003548333 | [
[
3.591786287103869,
2.0737099522846325,
0.8621236755720458
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[
10.775359002896131,
6.221129937715367,
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[
5.134662422134786,
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[
6.907933984892173,
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[
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[
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[
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1.637553153395265,
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[
4.7212554877072375,
4.902295106130553,
5.29909519102136
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[
9.645889802292762,
3.3925447838694467,
3.9234249789786397
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[
6.606155134449736,
6.657286736604735,
3.9234249789786397
],
[
5.298672999003323,
2.3924283152716397,
3.9234249789786397
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"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"]}] | [
"Sr",
"Sr",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.42857142857142855,
0.14285714285714285,
0.42857142857142855
] | [
[
4.7100825,
5.9e-7,
0
],
[
-5.9e-7,
4.7100825,
0
],
[
0,
0,
4.739039
]
] | -24.385802 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
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[
0.00290207,
0.00306294,
0.0004073
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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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[
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[
0.00244132,
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[
-0.00244132,
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[
0.0019741,
-0.00167925,
-0.00114757
],
[
0.00046723,
0.00254924,
-0.00114757
]
] | 0 | 8.943116 | pbe | true | b4841d0916fd4510e4b317d4c4b7e2e4_148_Sr2Tl6Cd6 |
[
"Hf",
"Ir",
"P"
] | 16 | A2BC | HfIr2P | Hf4 P4 Ir8 | 3 | [
1,
1,
1
] | 3 | [
[
5.97541694,
0,
-0.00334739
],
[
0,
4.19261908,
0
],
[
-0.88496339,
0,
9.9889061
]
] | agm002122734 | [
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1.1100157047251948,
0,
0.1840931497665024
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[
0.6675340097251948,
2.09630954,
5.178546199766502
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3.7066731327584317,
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7.772283771636864
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1.7710650136203805,
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0.4865367093878441,
0,
3.20167469438688
],
[
0.04405501438784402,
2.09630954,
8.19612774438688
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Hf",
"Hf",
"Hf",
"Hf",
"P",
"P",
"P",
"P",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.4891331,
0,
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],
[
0,
2.751252,
0
],
[
-0.0299601,
0,
2.4827087
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] | -145.12807 | [
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0,
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0,
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0,
0,
0,
0,
0,
0,
0,
0,
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0
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[
0.00271385,
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[
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[
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[
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[
-0.00215669,
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[
-0.00054107,
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[
-0.00054107,
0,
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[
-0.00029308,
0,
0.00265605
],
[
-0.00029308,
0,
0.00265605
]
] | -0.000004 | 6.948274 | pbe | true | 72cee80cec6e052e539cd23d261c2b36_8_Hf4P4Ir8 |
[
"Ca",
"Cs",
"O",
"Sb"
] | 12 | A6B3C2D | CaCs3O6Sb2 | Cs3 Ca1 Sb2 O6 | 4 | [
1,
1,
1
] | 3 | [
[
6.47636138,
0,
0
],
[
-3.23818069,
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0
],
[
0,
0,
7.89805072
]
] | agm004664805 | [
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[
4.770327470182039,
0.9849828763550516,
5.363086358390253
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Cs",
"Cs",
"Ca",
"Sb",
"Sb",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.25,
0.5,
0.16666666666666666
] | [
[
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0,
0
],
[
0,
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],
[
0,
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]
] | -62.733851 | [
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[
0.00302651,
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]
] | 1.029214 | 5.024999 | pbe | true | a41d36007fc81936bb27e87a72aec745_164_Cs3Ca1Sb2O6 |
[
"Ce",
"Mn",
"Sc",
"Si"
] | 5 | A2BCD | CeMnScSi2 | Ce1 Sc1 Mn1 Si2 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
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"Ce",
"Sc",
"Mn",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
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] | 1.816024 | 6.055592 | pbe | true | d65c48b8229fd1a9bc5425015c2b3123_119_Ce1Sc1Mn1Si2 |
[
"Er",
"Na",
"Sm",
"Te"
] | 8 | A4B2CD | ErNa2SmTe4 | Na2 Sm1 Er1 Te4 | 4 | [
1,
1,
1
] | 3 | [
[
4.45231836,
0,
0
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[
0,
7.70824877,
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[
0,
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"Na",
"Na",
"Sm",
"Er",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
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] | 0 | -0.001436 | pbe | true | 3aaaef41f6b7a69f763aba024d2e311b_10_Na2Sm1Er1Te4 |
[
"Er",
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"Sm",
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] | 20 | A6B2CD | Er2PrSmTb6 | Tb12 Pr2 Sm2 Er4 | 4 | [
1,
1,
1
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"Tb",
"Tb",
"Tb",
"Pr",
"Pr",
"Sm",
"Sm",
"Er",
"Er",
"Er",
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] | 2023-11-16 06:57:59 | [
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] | 0.000182 | 29.934612 | pbe | true | 3f40376796fab8f65118e5b3617db79f_15_Tb12Pr2Sm2Er4 |
[
"Ir",
"Mn",
"Rh",
"V"
] | 4 | ABCD | IrMnRhV | Mn1 V1 Ir1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
3.66649233,
0,
0
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[
0,
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[
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"Mn",
"V",
"Ir",
"Rh"
] | 2023-11-16 06:57:59 | [
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0,
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[
0,
0,
0
]
] | 1.723559 | 3.475551 | pbe | true | ec2d41cfbc1969a15bd150fcf542b546_47_Mn1V1Ir1Rh1 |
[
"Li",
"Pm",
"S",
"Sr"
] | 8 | A4B2CD | LiPmS4Sr2 | Sr2 Li1 Pm1 S4 | 4 | [
1,
1,
1
] | 3 | [
[
4.16611169,
0,
0
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[
0,
7.09772588,
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[
0,
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"Sr",
"Li",
"Pm",
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"S",
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] | 2023-11-16 06:57:59 | [
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[
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] | 0 | 0 | pbe | true | 1ac44fa7b55e2e81ecd98ca7a9155bf1_10_Sr2Li1Pm1S4 |
[
"Li",
"Sb",
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"Tl"
] | 9 | A4B2C2D | Li2SbSe4Tl2 | Li2 Tl2 Sb1 Se4 | 4 | [
1,
1,
1
] | 3 | [
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] | 2023-11-16 06:57:59 | [
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] | 0 | 3.437399 | pbe | true | d64380f1554c0e80876b82e5fef068ea_12_Li2Tl2Sb1Se4 |
[
"Mn",
"Na",
"S",
"Sb"
] | 12 | A6B3C2D | Mn2Na3S6Sb | Na3 Mn2 Sb1 S6 | 4 | [
1,
1,
1
] | 3 | [
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"Na",
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"Na",
"Mn",
"Mn",
"Sb",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
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[
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] | 0 | -0.943759 | pbe | true | ac2b955f82fa64ed4bc0459015f3f592_61_Bi8Mo8O40 |
[
"Nb",
"Sn",
"Tc"
] | 4 | A2BC | NbSnTc2 | Nb1 Tc2 Sn1 | 3 | [
1,
1,
1
] | 3 | [
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0,
0
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] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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] | 0.000396 | 3.918851 | pbe | true | e2cd3963651146d01cafb6b20f71ed14_123_Nb1Tc2Sn1 |
[
"C",
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] | 10 | A3B2 | C2Ir3 | Ir6 C4 | 2 | [
1,
1,
1
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"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"Ir",
"C",
"C",
"C",
"C"
] | 2023-11-16 06:57:59 | [
0.4,
0.6
] | [
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] | -83.345543 | [
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] | [
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] | -0.000004 | 2.346821 | pbe | true | ef063fb39c3bcfb2a29842fab4b237cb_43_Ir6C4 |
[
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] | 24 | A9B2C | Ni9PrZn2 | Pr2 Zn4 Ni18 | 3 | [
1,
1,
1
] | 3 | [
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0,
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] | 5.818821 | 34.216805 | pbe | true | 28488efc938793d2ccb6fd4c43090b02_127_Pr2Zn4Ni18 |
[
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1,
1
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] | 0 | 2.390504 | pbe | true | 6da02e2c4f37a98077d0648914a5b3d2_2_Tl2Ag1B2O6 |
[
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1,
1
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"F",
"F",
"F",
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] | -0.676164 | 3.560768 | pbe | true | a9e9719a993bd1ecc41d00c06962c565_139_Cs2Ba1Al1F6 |
[
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1,
1,
1
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] | 0.687999 | 6.194948 | pbe | true | 9da78bd96c972045545f657c8a9ceca7_123_Al1Te1C1Se2 |
[
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1,
1,
1
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"Rh",
"O",
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] | 2.014403 | 5.804561 | pbe | true | 58894c6562e3ebdafc58dab8e55c16ec_12_Rb3Ba2Rh1O6 |
[
"Cd",
"Zn"
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1,
1,
1
] | 3 | [
[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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] | 0 | 0.530527 | pbe | true | 4b64d2f24de9ea6a88c5f6395ffb5f8c_2_Zn1Cd1 |
[
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1,
1,
1
] | 3 | [
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0
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[
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"Nb",
"Nb",
"Au",
"Au",
"Au",
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"Ag",
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] | 2023-11-16 06:57:59 | [
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] | 0 | 6.532146 | pbe | true | f6a5aae343d81ef55c834c8f26259a46_127_Nb4Ag2Au4 |
[
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1,
1,
1
] | 3 | [
[
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"Ba",
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"Al"
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] | -0.000221 | 2.77283 | pbe | true | 52dc30144caa73780949a4f497ecf146_8_Ba1Al2Br1 |
[
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1,
1,
1
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] | 0 | 2.291493 | pbe | true | 1ce17a23867852dd2d91060fc4d61a31_38_Ca2Al1Ni1 |
[
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1,
1
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] | -0.000001 | 1.838714 | pbe | true | 98640e8c8aac593cfaafefc672e717c5_191_Li6Al1Ga2 |
[
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1,
1,
1
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[
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1,
1,
1
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] | 1.75959 | 7.767031 | pbe | true | b30d0fab895016aae69becf577f49448_140_Nd6As2N10 |
[
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1,
1,
1
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] | 0.00034 | 4.466628 | pbe | true | 4d7710d528de782a9096255804483816_225_Mn2Au1C1 |
[
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1,
1,
1
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0,
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] | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
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"Co",
"Co",
"Te",
"Te",
"Te",
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] | 0.000679 | 17.836416 | pbe | true | a1f8511d578ac2a4dd3813c3e0dba477_11_Dy12Co2Te6 |
[
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1,
1,
1
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0
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] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Cr",
"Cr",
"In",
"In",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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[
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[
0,
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] | 5.825002 | 2.190044 | pbe | true | c09805e460596a291295002e13055bae_26_Cr2In2Te4 |
[
"Cu",
"Pt",
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1,
1,
1
] | 3 | [
[
2.64769948,
0,
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[
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"Zn",
"Zn",
"Cu",
"Cu",
"Cu",
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] | 2023-11-16 06:57:59 | [
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[
"Dy",
"Mn",
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] | 4 | A2BC | DyMn2Pa | Dy1 Pa1 Mn2 | 3 | [
1,
1,
1
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0,
0
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[
0,
3.36261972,
0
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"Pa",
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] | 3.146621 | 5.424234 | pbe | true | e66b52af532698e3892ec8d1931c6e8e_123_Dy1Pa1Mn2 |
[
"F",
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1,
1,
1
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1e-8
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[
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"O",
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] | 4 | 4.408136 | pbe | true | e8705c295af10c059e3fdabdb7ac0075_12_Pu2O5F2 |
[
"H",
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1,
1,
1
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[
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0
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[
0,
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"Tl",
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] | 0 | 3.414372 | pbe | true | c4256f69329ab8dc459746f77347f697_122_Tl4H2W2 |
[
"In",
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"Pa"
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1,
1,
1
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[
4.80831068,
0,
0
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[
0,
4.35885114,
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] | 0.00006 | 6.088109 | pbe | true | 7a1375e58da383c42e8892d27aaa616c_123_Pa2Nb1In1 |
[
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1,
1,
1
] | 3 | [
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5.79207196,
0,
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[
0,
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] | 2.008719 | 12.083106 | pbe | true | 420bf18f797ba11dc431e337ef24d3d1_58_Pa4In2O12 |
[
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1,
1,
1
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
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[
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] | -0.000083 | 24.267353 | pbe | true | ddce8e5586615fffbc63fce50e03301c_62_Sr12Li8Zn12 |
[
"Mg",
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] | 4 | A2BC | MgNiP2 | Mg1 Ni1 P2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.07551021,
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[
3.07551021,
0,
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] | agm002698960 | [
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] | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ni",
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] | -0.000001 | 3.483745 | pbe | true | 53228fe844508a27fc047bdf8cf4c4bd_225_Mg1Ni1P2 |
[
"Mo",
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] | 5 | A3BC | MoN3W | Mo1 W1 N3 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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"Mo",
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] | 2.082638 | 2.278956 | pbe | true | 6245d810a1e82dbe937499f5e927b0a6_221_Mo1W1N3 |
[
"Mo",
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] | 11 | A4B4C3 | Mo4Ta4W3 | Ta4 Mo4 W3 | 3 | [
1,
1,
1
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] | 2023-11-16 06:57:59 | [
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] | 0.000001 | 4.90325 | pbe | true | 3bb2f0f9868daefb29ffd1190aac5c70_12_Ta4Mo4W3 |
[
"Pd",
"Pu",
"Sn"
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1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.36621118,
0
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[
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0,
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[
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[
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] | 11.315715 | 10.334527 | pbe | true | 901d183e094211e253cff619e4765434_123_Pu2Sn1Pd1 |
[
"Pu",
"Sm",
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] | 18 | A12B5C | PuSm5Tm12 | Sm5 Tm12 Pu1 | 3 | [
1,
1,
1
] | 3 | [
[
10.53763663,
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[
5.26989114,
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] | [{"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
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"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Pu"
] | 2023-11-16 06:57:59 | [
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[
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] | 6.633997 | 28.267036 | pbe | true | 18a4c749ed20ab25ad1f12fc3522d3d4_12_Sm5Tm12Pu1 |
[
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"Sr",
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] | 10 | A2B2C | Si2SrZn2 | Sr2 Zn4 Si4 | 3 | [
1,
1,
1
] | 3 | [
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0
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[
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[
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"Zn",
"Zn",
"Zn",
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"Si",
"Si",
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] | 2023-11-16 06:57:59 | [
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] | -0 | 4.985593 | pbe | true | 646de68fe924623c50c5b101def692be_127_Sr2Zn4Si4 |
[
"Ba",
"Br",
"Mg",
"Sn"
] | 5 | A2BCD | BaBrMgSn2 | Ba1 Mg1 Sn2 Br1 | 4 | [
1,
1,
1
] | 3 | [
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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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] | agm001556767 | [
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0,
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[
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Mg",
"Ba",
"Br",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
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0.2,
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[
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[
0,
0,
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0,
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]
] | 0.969129 | 5.127546 | pbe | true | 3390dc85a4a186970a78d3f4c9c6231f_123_Ba1Mg1Sn2Br1 |