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... | 2.000768 | 1.452298 | pbe | true | 07834c82c7f484f3be4848abdcb2b9b3_155_Li3Pm1V4O12 |
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1
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[
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[
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[
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2.414154516... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}] | [
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[
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1,
1,
1
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[
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1
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[
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1,
1
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[
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... | 5.000001 | 9.359945 | pbe | true | 52878791f102124b5f286370ceeee74d_155_Li4Pu3Tl1O12 |
[
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1,
1,
1
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0.00812... | 0 | -0.497396 | pbe | true | 058fd0664c78d7166eda8b5bb34e89d9_7_Rb20Li20S20O80 |
[
"Mg",
"Sc",
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1,
1,
1
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0
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[
0,
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[
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] | -0.000001 | 2.069398 | pbe | true | 714126c1f73d77e6320bf0b560b60ad3_99_Mg2Zr1Sc1 |
[
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1,
1,
1
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0
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[
0,
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[
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1,
1,
1
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[
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[
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] | 2.595154 | 3.970794 | pbe | true | 9cc03b8ee1f4ae45aa4927f86d851af4_123_Li1Tm2V1 |
[
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1,
1,
1
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[
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0,
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[
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[
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[
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... | -0.000002 | 4.17412 | pbe | true | 9b538f90fe840191c352c05bee1f9e69_11_Ca4Al2Bi2As2 |
[
"Lu",
"Nd",
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1,
1,
1
] | 3 | [
[
3.90945366,
0,
0
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[
0,
3.90945366,
0
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[
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] | agm001815222 | [
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] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
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[
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[
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[
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[
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[
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] | 0.000452 | 4.327626 | pbe | true | 41e149ae8bd2da97f95347f17244f9f8_123_Nd1Lu2Sb1 |
[
"Lu",
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1,
1,
1
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[
0,
3.859858,
3.859858
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[
3.859858,
0,
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[
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] | oqmd-3293356 | [
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[
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[
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] | [{"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
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[
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[
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[
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] | -0.022195 | null | pbe | true | 6a4b08fd853a9097051bb1327aee9ab0_216_Nd1Y1Lu1 |
[
"Cd",
"Te",
"Tl"
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1,
1,
1
] | 3 | [
[
3.8883704,
0,
0
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[
0,
3.8883704,
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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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... | 3.213728 | 14.131584 | pbe | true | 5568359f64d79f0891fe7ffa7da225f1_14_Sr4Li2Rh2O12 |
[
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1,
1
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[... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"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"]}] | [
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[
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1,
1,
1
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[
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1
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[
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1,
1,
1
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] | -0.000033 | 1.591356 | pbe | true | 22e4cadab29da7f7e6620d74c32c16d7_12_Er2Bi1Se4 |
[
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1,
1
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] | 0.000005 | 2.61109 | pbe | true | e1789f93bd750992a6fa72c852767733_44_Sr1Mg1Zn2Au1 |
[
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1,
1,
1
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[
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1,
1
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[
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[
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[
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... | 2.005013 | 2.083424 | pbe | true | 86a9f9b90f813ebe13b0cbdbe7698022_155_Li3Tl1Se4O12 |
[
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1,
1,
1
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0.000326... | 2.001292 | 7.806508 | pbe | true | f5af4b5f049fb60eab0cce4d7c147d05_15_Li4Tl2Se2O12 |
[
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1,
1,
1
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] | -0.000005 | 1.596097 | pbe | true | ca123cd3deb6f91169d3b9b77a52df4a_119_Tl2Zn1Cd1 |
[
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1,
1,
1
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... | 2.000851 | 0.041271 | pbe | true | ce8db06bdb8b24eb09fc896ee64a0ca3_15_Li2Zn4Se2O12 |
[
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1,
1,
1
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] | 3.492503 | 2.986919 | pbe | true | 78a3616fd439bcdf223d5363b0a69f70_221_Bi3Mo1F1 |
[
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1,
1,
1
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5.7224644522... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
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[
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] | 0.000002 | 2.086025 | pbe | true | ae820515ba8e3d0971f2f8c8920611b8_44_Li1Pm1P1Pt2 |
[
"Li",
"P",
"Pr",
"Rh"
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1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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2.... | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
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[
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1,
1,
1
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0,
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] | 0 | 3.138139 | pbe | true | b7b162c0623dac335a9610c24f9468b9_122_Ge4Rh2Pt2 |
[
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1,
1,
1
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0,
0
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0,
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[
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[
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1,
1,
1
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[
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0
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[
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3.1159... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
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... | 0 | 0 | pbe | true | 75a53556ee6a56d5150821fdb68fe893_225_Rb2Na1P1Cl6 |
[
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1,
1,
1
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0,
0
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[
1.94094725,
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[
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[
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[
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] | -0.000003 | 1.513125 | pbe | true | 6d7093dcd646fa604f1a2c44b21b3a77_166_Ge2Te1Pt1 |
[
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1,
1,
1
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[
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0.0013... | 0.007475 | 0 | pbe | true | 8d6d42eb9ca50ddd06e59ac0e82af8ea_14_Re4P4Cl24O12 |
[
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1,
1,
1
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-0.010295... | 12.699 | 0.742638 | pbe | true | 049f00d101989b9aa04b37df46fc12f0_1_Mg1Co6O7F5 |
[
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1,
1,
1
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[... | 7.561217 | 22.35673 | pbe | true | 99642731d72e2b08b030322d61705716_164_Pu2Ge1Rh6 |
[
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1
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Ru",
"Ge",
"Pu"
] | 2023-11-16 06:57:59 | [
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] | 4.42431 | 9.839479 | pbe | true | 725591e217c1059d5b6239fa64dd4a8d_187_Pu1Ge1Ru1 |
[
"Ge",
"Rb",
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1,
1,
1
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[
0,
3.80982652,
3.80982652
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[
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] | 0 | 3.015991 | pbe | true | 7ba63feb08449cfc91cd0d9931e638be_225_Rb1Tl1Ge2 |
[
"Ge",
"Rb",
"Y"
] | 3 | ABC | GeRbY | Rb1 Y1 Ge1 | 3 | [
1,
1,
1
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[
4.24124668,
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0
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[
0,
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[
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"Y",
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] | 2023-11-16 06:57:59 | [
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[
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[
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] | -0 | 1.962428 | pbe | true | 66a959b280b88a90198b3d4074093da1_187_Rb1Y1Ge1 |
[
"Ge",
"Re",
"Ti"
] | 4 | A2BC | GeReTi2 | Ti2 Re1 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
3.02562437,
0,
0
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[
1.51281219,
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0
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[
1.51281219,
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] | agm001978580 | [
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Re",
"Ge",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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[
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] | -33.78661 | [
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[
0,
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] | 0.000035 | 2.272932 | pbe | true | 7a3b771c1fb75fe9180582c18a63e6d7_166_Ti2Re1Ge1 |
[
"Li",
"P",
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"Zn"
] | 120 | A8B4C2D | Li4P2S8Zn | Li32 P16 S64 Zn8 | 4 | [
1,
1,
1
] | 3 | [
[
-0.00941097,
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[
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] | mp-1147741 | [
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[
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"Zn",
"Zn",
"Zn",
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"Zn",
"Zn",
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"Zn"... | 2018-12-27 11:43:46 | [
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[
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[
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0.00293538,... | 0 | 1.66279 | pbe | true | 4fbfea406502d90c269c5a07e3f3726c_1_Li32Zn8P16S64 |
[
"Mn",
"P",
"Pt"
] | 4 | A2BC | MnPPt2 | Mn1 P1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
3.01683638,
0,
0
],
[
0,
3.5955784,
0
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[
0,
0,
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[
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Mn",
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] | 2023-11-16 06:57:59 | [
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[
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[
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[
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] | -27.391739 | [
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[
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[
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] | 3.943036 | 2.310278 | pbe | true | 9018d4ab0715eeb1ddd45c80cfcaa8d4_47_Mn1P1Pt2 |
[
"Li",
"Pa",
"Rh",
"Si"
] | 5 | A2BCD | LiPaRhSi2 | Li1 Pa1 Si2 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.00228815,
0
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[
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] | agm005018933 | [
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[
2.0011440725,
2.4999999848063226e-9... | [{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"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"]}] | [
"Li",
"Pa",
"Si",
"Si",
"Rh"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
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[
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3.3479311,
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[
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] | -33.161722 | [
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[
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[
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[
0,
0,
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[
0,
0,
0
]
] | 0.00005 | 3.254332 | pbe | true | 0e2c42def3fc02efbb5015870a5b1113_119_Li1Pa1Si2Rh1 |
[
"Mg",
"Si",
"Tc"
] | 4 | A2BC | Mg2SiTc | Mg2 Si1 Tc1 | 3 | [
1,
1,
1
] | 3 | [
[
2.76516737,
0,
0
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[
0,
4.32263143,
0
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[
0,
0,
5.39362462
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] | agm003922790 | [
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[
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[
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] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"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",
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] | 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
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[
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] | -18.287368 | [
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[
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.00001 | 2.481106 | pbe | true | 9886939049c70c00a7f462097657ee0e_47_Mg2Si1Tc1 |
[
"Mn",
"P",
"Re"
] | 4 | A2BC | MnPRe2 | Mn1 Re2 P1 | 3 | [
1,
1,
1
] | 3 | [
[
-1.84077287,
1.84077287,
3.96192092
],
[
1.84077287,
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[
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] | agm004216192 | [
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[
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Mn",
"Re",
"Re",
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] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
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[
0,
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0
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[
0,
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] | -38.713089 | [
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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
]
] | 2.414035 | 3.688618 | pbe | true | 11e06467d3daf9806024624269d5ae30_119_Mn1Re2P1 |
[
"Mn",
"Pt",
"Tm"
] | 4 | A2BC | MnPtTm2 | Tm2 Mn1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
3.47417267,
0,
0
],
[
0,
4.8648782,
0
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[
0,
0,
4.8648782
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] | agm001242306 | [
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[
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[
0,
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0
],
[
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] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Mn",
"Tm",
"Tm",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
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0,
0
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[
0,
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0
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[
0,
0,
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] | -26.386939 | [
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0.069
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 3.219241 | 4.383647 | pbe | true | 816d0bfd37323cce9f47971140093e6a_123_Tm2Mn1Pt1 |
[
"Li",
"Pb",
"S",
"Tb"
] | 12 | A3BCD | LiPbS3Tb | Li1 Pb1 S3 Tb1 | 4 | [
1,
1,
1
] | 3 | [
[
1.998939239,
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0
],
[
1.998939239,
6.467155789,
0
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[
0,
0,
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] | oqmd-8692504 | [
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[
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[
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2... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}] | [
"Li",
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] | 2024-11-01 00:00:00 | [
0.16666666666666666,
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[
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0
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[
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] | -61.3505 | [
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0,
0
] | [
[
0,
0.020498,
0
],
[
0,
-0.020498,
0
],
[
0,
0.005675,
0
],
[
0,
-0.005675,
0
],
[
0,
0.029683,
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[
0,
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0
],
[
0,
0.029683,
0.008205
],
[
0,
-0.029683,
-0.008205
],
[... | -0.026775 | null | pbe | true | 9906c4c51e08d469ea6177d9478bdab2_63_Li2Tb2Pb2S6 |
[
"Be",
"Ir",
"Sn"
] | 5 | A3BC | BeIr3Sn | Be1 Sn1 Ir3 | 3 | [
1,
1,
1
] | 3 | [
[
4.21334625,
0,
0
],
[
0,
4.21334625,
0
],
[
0,
0,
4.21334625
]
] | agm002423001 | [
[
0,
0,
0
],
[
0,
2.106673125,
0
],
[
0,
0,
2.106673125
],
[
2.106673125,
0,
0
],
[
2.106673125,
2.106673125,
2.106673125
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Be",
"Ir",
"Ir",
"Ir",
"Sn"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
-0.7655952,
0,
0
],
[
0,
-0.7655952,
0
],
[
0,
0,
-0.7655952
]
] | -33.646487 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 3.155909 | pbe | true | 4fa7bdcbea5b4fcd8ca20fc587481fed_221_Be1Sn1Ir3 |
[
"Mn",
"Pt",
"Y"
] | 4 | A2BC | MnPt2Y | Y1 Mn1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
3.90535185,
0,
0
],
[
0,
4.26550424,
0
],
[
0,
0,
4.26550424
]
] | agm002345064 | [
[
0,
0,
0
],
[
0,
2.13275212,
2.13275212
],
[
1.952675925,
0,
2.13275212
],
[
1.952675925,
2.13275212,
0
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Mn",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.2263011,
0,
0
],
[
0,
8.951154,
0
],
[
0,
0,
8.951154
]
] | -30.625234 | [
-0.07,
3.7,
0.032,
0.097
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.887927 | 2.198725 | pbe | true | a70fada67324d5b9b0a0f6b39a109fad_123_Y1Mn1Pt2 |
[
"Be",
"Ir",
"Sr"
] | 4 | A2BC | Be2IrSr | Sr1 Be2 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
3.01944351,
0,
0
],
[
0,
3.01956611,
0
],
[
0,
0,
6.94190875
]
] | agm004046631 | [
[
1.509721755,
1.509783055,
5.2064315625
],
[
1.509721755,
1.509783055,
1.7354771875
],
[
0,
0,
0.6316471233450874
],
[
0,
0,
2.8393072516549123
]
] | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Ir",
"Be",
"Be"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-1.1823653,
0,
0
],
[
0,
-1.2231442,
0
],
[
0,
0,
-0.10923822
]
] | -18.095768 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00049915
],
[
0,
0,
-0.00049915
]
] | -0.000099 | 2.012888 | pbe | true | a2b99bf9551a154cec0785fd186a70a3_123_Sr1Be2Ir1 |
[
"Ge",
"Rh",
"Sc"
] | 14 | A3B3C | Ge3Rh3Sc | Sc2 Ge6 Rh6 | 3 | [
1,
1,
1
] | 3 | [
[
6.6631725,
0,
0
],
[
0,
6.6631725,
0
],
[
0,
0,
6.6631725
]
] | agm005400629 | [
[
3.33158625,
3.33158625,
3.33158625
],
[
0,
0,
0
],
[
0,
1.665793125,
3.33158625
],
[
0,
4.9973793749999995,
3.33158625
],
[
3.33158625,
0,
4.9973793749999995
],
[
4.9973793749999995,
3.33158625,
0
],
[
3.33158625,
... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Sc",
"Sc",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Ge",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.42857142857142855,
0.42857142857142855,
0.14285714285714285
] | [
[
6.813417,
0,
0
],
[
0,
6.813417,
0
],
[
0,
0,
6.813417
]
] | -85.467628 | [
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,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],... | 0.001187 | 13.965852 | pbe | true | 255ba3d7da8451dc0507ba4b6b3095f1_223_Sc2Ge6Rh6 |
[
"Be",
"Ir",
"Tb"
] | 4 | A2BC | Be2IrTb | Tb1 Be2 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
3.88537814,
0,
0
],
[
1.94268907,
3.36483617,
0
],
[
1.94268907,
1.12161206,
4.82480704
]
] | agm001993107 | [
[
5.8280672099999995,
3.3648361719623994,
2.8404601111003775
],
[
1.94268907,
1.1216120580376001,
1.9843469288996223
],
[
3.88537814,
2.243224115,
2.41240352
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Be",
"Be",
"Ir",
"Tb"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-0.24280971,
0,
0
],
[
0,
-0.24280971,
0
],
[
0,
0,
-0.55612254
]
] | -22.998851 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00532436
],
[
0,
0,
0.00532436
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000197 | 2.628706 | pbe | true | ef88aa3eefdac50660297b5aa92d0b8f_166_Tb1Be2Ir1 |
[
"Be",
"Ir",
"W"
] | 4 | A2BC | BeIrW2 | Be1 Ir1 W2 | 3 | [
1,
1,
1
] | 3 | [
[
2.74860267,
0.00603791,
0
],
[
-0.00791713,
2.74863324,
0
],
[
0,
0,
7.30624695
]
] | agm004377813 | [
[
1.37034277,
1.377335575,
1.8265617375
],
[
1.37034277,
1.377335575,
5.4796852125
],
[
0,
0,
0.16182978988149452
],
[
0,
0,
3.4912936851185057
]
] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Be",
"Ir",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.01821224,
0.44244075,
0
],
[
0.44244075,
0.02270544,
0
],
[
0,
0,
0.21550038
]
] | -38.745575 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.0002654
],
[
0,
0,
0.0002654
]
] | -0.000005 | 0.97482 | pbe | true | 25192f048a89744b60434d8e0b103071_123_Be1Ir1W2 |
[
"Li",
"Pd",
"Se",
"Tm"
] | 12 | A3BCD | LiPdSe3Tm | Li1 Pd1 Se3 Tm1 | 4 | [
1,
1,
1
] | 3 | [
[
1.941202397,
-6.948456844,
0
],
[
1.941202397,
6.948456844,
0
],
[
0,
0,
10.074864689
]
] | oqmd-9023304 | [
[
1.9412,
-4.06556,
2.51872
],
[
1.9412,
4.06556,
7.55615
],
[
1.9412,
0.11345999999999992,
2.51872
],
[
1.9412,
-0.11346000000000005,
7.55615
],
[
1.9412,
1.9269099999999997,
0.77737
],
[
1.9412,
5.450559999999999,
2.51872
... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Li",
"Li",
"Pd",
"Pd",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Tm",
"Tm"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] | [
[
3.54456125,
0,
0
],
[
0,
3.15837955,
0
],
[
0,
0,
3.52937993
]
] | -56.7927 | [
0,
0,
0.001,
-0.001,
0.001,
0,
0.001,
-0.001,
0,
-0.001,
0,
0
] | [
[
0,
-0.050808,
0
],
[
0,
0.050808,
0
],
[
0,
0.01679,
0
],
[
0,
-0.01679,
0
],
[
0,
0.016451,
-0.000553
],
[
0,
0.007265,
0
],
[
0,
0.016451,
0.000553
],
[
0,
-0.016451,
-0.000553
],
[
... | 0.001045 | null | pbe | true | 05e56bd1f2486df3e27fead678185778_63_Li2Tm2Pd2Se6 |
[
"Mg",
"Sr",
"Ti"
] | 4 | A2BC | MgSrTi2 | Sr1 Mg1 Ti2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.64110169,
3.64110169
],
[
3.64110169,
0,
3.64110169
],
[
3.64110169,
3.64110169,
0
]
] | agm002698024 | [
[
3.64110169,
3.64110169,
3.64110169
],
[
0,
0,
0
],
[
1.820550845,
1.820550845,
1.820550845
],
[
5.461652535000001,
5.461652535000001,
5.461652535000001
]
] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Sr",
"Mg",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.1814758,
0,
0
],
[
0,
1.1814758,
0
],
[
0,
0,
1.1814758
]
] | -16.027582 | [
0.045,
0.001,
0.772,
0.772
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.167202 | 4.579362 | pbe | true | f046b6afdc252feb0a4f973956b26337_225_Sr1Mg1Ti2 |
[
"Li",
"Pd",
"Si",
"Tb"
] | 5 | A2BCD | LiPdSi2Tb | Li1 Tb1 Si2 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
4.00651829,
0,
0
],
[
0,
4.00651829,
0
],
[
-2.00325914,
-2.00325914,
5.28554312
]
] | agm005018903 | [
[
2.4999999848063226e-9,
2.0032591475,
2.64277156
],
[
0,
0,
0
],
[
2.003259166133705,
2.003259166133705,
1.1639967354191176
],
[
-1.6133705111107002e-8,
-1.6133705111107002e-8,
4.121546384580882
],
[
2.0032591475,
2.4999999848063226e-9,
2.... | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Li",
"Tb",
"Si",
"Si",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
2.2246068,
0,
0
],
[
0,
2.2246068,
0
],
[
0,
0,
1.925827
]
] | -26.485527 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00834426
],
[
0,
0,
-0.00834426
],
[
0,
0,
0
]
] | -0.000006 | 2.14112 | pbe | true | 988c8383a87093a82af8170451e49570_119_Li1Tb1Si2Pd1 |
[
"Co",
"Hf",
"Tm",
"Zn"
] | 5 | A2BCD | Co2HfTmZn | Co2 Hf1 Tm1 Zn1 | 4 | [
1,
1,
1
] | 3 | [
[
-2.001026553,
2.665174499,
3.834171416
],
[
2.001026553,
-2.665174499,
3.834171416
],
[
2.001026553,
2.665174499,
-3.834171416
]
] | oqmd-6459269 | [
[
-3.181684709892987e-17,
1.5103399999999998,
3.8529500000000008
],
[
2.00103,
1.15483,
0.018780000000000133
],
[
-2.1197056285456504e-17,
-5.287945493674744e-17,
1.58332
],
[
-1.8473218059787918e-17,
5.4874266463398665e-17,
6.07313
],
[
2.00102999... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Co",
"Co",
"Hf",
"Tm",
"Zn"
] | 2024-11-01 00:00:00 | [
0.4,
0.2,
0.2,
0.2
] | [
[
7.66576286,
0,
0
],
[
0,
7.84233937,
0
],
[
0,
0,
7.81152112
]
] | -31.5717 | [
0.013,
0.013,
-0.006,
-0.005,
-0.001
] | [
[
0,
-0.011781,
0.051761
],
[
0,
0.011781,
0.051761
],
[
0,
0,
0.046584
],
[
0,
0,
-0.044929
],
[
0,
0,
-0.105176
]
] | 0.010229 | null | pbe | true | 0d945a44dff05c546c699f72b2c4d3df_44_Tm1Hf1Zn1Co2 |
[
"Ge",
"Rh",
"Th"
] | 14 | A3B3C | Ge3Rh3Th | Th2 Ge6 Rh6 | 3 | [
1,
1,
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0,
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[
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1,
1
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[
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] | 18 | A5B2CD | LiPm2Se5Th | Li2 Pm4 Th2 Se10 | 4 | [
1,
1,
1
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8.698712065884443... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
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] | 2023-11-16 06:57:59 | [
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