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[
"Au",
"Pd",
"Pu",
"Rh"
] | 4 | ABCD | AuPdPuRh | Pu1 Pd1 Rh1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
3.88844046,
0,
0
],
[
0,
4.16999843,
0
],
[
0,
0,
4.47113294
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] | agm005186655 | [
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] | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Pu",
"Pd",
"Rh",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
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0,
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[
0,
0,
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] | -32.064046 | [
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0,
0,
0
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0,
0,
0
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[
0,
0,
0
]
] | 4.580889 | 12.5224 | pbe | true | 2c332673524d548d672a4f9c62a0eecd_47_Pu1Pd1Rh1Au1 |
[
"Al",
"La",
"Mg"
] | 10 | A2B2C | Al2LaMg2 | La2 Mg4 Al4 | 3 | [
1,
1,
1
] | 3 | [
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4.51829524,
0,
0
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0,
4.51829524,
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"La",
"La",
"Mg",
"Mg",
"Mg",
"Mg",
"Al",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
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0.47492167,
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0,
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0
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[
0,
0,
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[
0,
0,
0
]
] | -0 | 3.653383 | pbe | true | 5638ce52cfc4868af65dd59a7e9d33ff_139_La2Mg4Al4 |
[
"Sb",
"W"
] | 4 | A3B | SbW3 | Sb1 W3 | 2 | [
1,
1,
1
] | 3 | [
[
8.9407768,
0.02380149,
0.0140303
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[
8.40310399,
3.05383361,
0.0140303
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[
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1.4911131,
2.66508504
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] | agm003938743 | [
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] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}] | [
"Sb",
"W",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
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[
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0.11122047,
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0,
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0,
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0,
0,
0
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[
0.01902724,
0.00337634,
0.00199026
]
] | 0.000001 | 3.37323 | pbe | true | adb393ad59083843c15c0c34dc6941d2_166_Sb1W3 |
[
"Eu",
"Ir",
"Rh",
"Tb"
] | 4 | ABCD | EuIrRhTb | Tb1 Eu1 Ir1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.90996314,
0,
0
],
[
2.45498157,
4.25215281,
0
],
[
2.45498157,
1.41738427,
4.00896812
]
] | agm001385300 | [
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2.00448406
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[
0,
0,
0
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[
2.45498157,
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1.00224203
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}] | [
"Eu",
"Rh",
"Ir",
"Tb"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.1605573,
0,
0
],
[
0,
4.1605573,
0
],
[
0,
0,
4.1605573
]
] | -33.245086 | [
6.632,
-0.129,
-0.106,
0.021
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.576685 | 10.707498 | pbe | true | 7470e12409cabeecafa9b4836f646e19_216_Tb1Eu1Ir1Rh1 |
[
"Gd",
"Hg",
"Na",
"Y"
] | 4 | ABCD | GdHgNaY | Na1 Gd1 Y1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
5.37322132,
0,
0
],
[
2.68661066,
4.65334616,
0
],
[
2.68661066,
1.55111539,
4.38721683
]
] | agm001913907 | [
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2.68661066,
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1.0968042075
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0,
0,
0
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[
8.05983198,
4.6533461625,
3.2904126225
],
[
5.37322132,
3.1022307749999998,
2.193608415
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Na",
"Gd",
"Hg"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.6589699,
0,
0
],
[
0,
2.6589699,
0
],
[
0,
0,
2.6589699
]
] | -22.491595 | [
0.16,
0.009,
7.227,
0.015
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.913365 | 5.377198 | pbe | true | 641cd30a3e93fd7ccf8d9b7b146283e6_216_Na1Gd1Y1Hg1 |
[
"Li",
"Nb",
"Pd",
"Se"
] | 11 | A6B2C2D | Li2Nb2PdSe6 | Li2 Nb2 Pd1 Se6 | 4 | [
1,
1,
1
] | 3 | [
[
6.48652205,
-0.21487965,
0.15526744
],
[
-3.39280826,
5.5326299,
0.15526744
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[
-0.99967771,
-1.71833491,
6.55237158
]
] | agm004584390 | [
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4.758447671349267,
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0.15526744
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4.527286047456476,
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[
0.3149686617711969,
4.675606668632778,
2.086856412244178
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] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"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"]}] | [
"Li",
"Li",
"Nb",
"Nb",
"Pd",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.18181818181818182,
0.09090909090909091,
0.5454545454545454
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1.3076841,
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-0.15107147,
1.135898,
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[
0.07958244,
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1.2422615
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] | -58.228774 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
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0
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0.00181176,
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0
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[
-0.00169859,
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0
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[
0.00169859,
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0
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[
0,
0,
0
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[
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0.00087294
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[
-0.00244877,
-0.00213794,
0.00087294
]
] | 0.00041 | 7.054505 | pbe | true | c1623a98529a314fb85bfe3956b8718f_12_Li2Nb2Pd1Se6 |
[
"As",
"La",
"P",
"Y"
] | 4 | ABCD | AsLaPY | La1 Y1 As1 P1 | 4 | [
1,
1,
1
] | 3 | [
[
4.19985047,
0,
0
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[
2.09992524,
3.6371772,
0
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[
2.09992524,
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0,
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0,
0,
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] | -0 | 0.440561 | pbe | true | 6d88d4f2afbac7c0959630e0c6199752_160_La1Y1As1P1 |
[
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1,
1,
1
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5.9552597,
0,
0
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0,
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"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.4444444444444444,
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[
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]
] | -0.000093 | 13.885341 | pbe | true | 6677837abd1159504277669a56b6e805_86_Sm2Y8Ga8 |
[
"Al",
"Cr",
"Sr"
] | 4 | A2BC | AlCrSr2 | Sr2 Al1 Cr1 | 3 | [
1,
1,
1
] | 3 | [
[
5.46479947,
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0.01989907
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] | agm004441398 | [
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"Sr",
"Sr",
"Al",
"Cr"
] | 2023-11-16 06:57:59 | [
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0.5
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4.013
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0,
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[
0,
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0
]
] | 4.60427 | 3.518558 | pbe | true | 981def12270843b28ecf4bb2091831c2_12_Sr2Al1Cr1 |
[
"C",
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"S",
"Si"
] | 12 | A6B3C2D | C2Er6S3Si | Er6 Si1 C2 S3 | 4 | [
1,
1,
1
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[
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0,
0
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[
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"Er",
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"Er",
"Er",
"Er",
"Er",
"Si",
"C",
"C",
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"S",
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] | 2023-11-16 06:57:59 | [
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] | -0.000014 | 1.199655 | pbe | true | 584b92016e1476c0b97807ceca6a77e6_12_Er6Si1C2S3 |
[
"Cd",
"Li",
"Na",
"Pb"
] | 7 | A2B2C2D | Cd2Li2Na2Pb | Na2 Li2 Cd2 Pb1 | 4 | [
1,
1,
1
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[
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"Na",
"Na",
"Li",
"Li",
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"Cd",
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] | -0 | 1.290859 | pbe | true | 37d8fcb5630ac75d8849c42449a1b198_12_Na2Li2Cd2Pb1 |
[
"Ba",
"Br",
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] | 4 | A2BC | BaBr2Ta | Ba1 Ta1 Br2 | 3 | [
1,
1,
1
] | 3 | [
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0,
0
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[
0,
6.75643951,
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"Ba",
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] | 2.591755 | 3.547441 | pbe | true | e04c17a59919321f02776af5d93a3047_47_Ba1Ta1Br2 |
[
"Ba",
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1,
1,
1
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0,
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0,
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"Ba",
"Ba",
"Ba",
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] | -0 | 10.158333 | pbe | true | 8f3e5bdf3e0489880f943e001ebd8448_63_Ba6Zn2Cd2 |
[
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"Y"
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1,
1,
1
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"Os",
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"O",
"O",
"O",
"O",
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"O",
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] | 2023-11-16 06:57:59 | [
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] | 1.041092 | 1.809229 | pbe | true | 38ce5f32bb56950b337a2a3b47187912_65_Sm2Y1Os1O8 |
[
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1,
1,
1
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] | 2023-11-16 06:57:59 | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0.00116989
],
[
0,
0,
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[
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[
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[
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[
0.00064113,
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[
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[
0.00244274,
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],
[
0,
0,
0.00106295
],
[
0,
0,
-0.00106295
]
] | 2.024897 | 6.558 | pbe | true | a35a4842771a6e56b33b60d11ec7573d_147_Na1Co1As2O8 |
[
"C",
"Sc",
"Sn",
"W"
] | 5 | A2BCD | CScSnW2 | Sc1 Sn1 W2 C1 | 4 | [
1,
1,
1
] | 3 | [
[
4.14082333,
0,
0
],
[
0,
5.01920527,
0
],
[
0,
0,
4.14082333
]
] | agm001520541 | [
[
2.070411665,
2.509602635,
2.070411665
],
[
0,
0,
0
],
[
0,
2.509602635,
0
],
[
0,
0,
2.070411665
],
[
2.070411665,
0,
0
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}] | [
"Sc",
"C",
"Sn",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
-0.05243319,
0,
0
],
[
0,
1.0752523,
0
],
[
0,
0,
-0.05243319
]
] | -43.658727 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 4.382916 | pbe | true | ffe0bf481f369eb20988942e41144003_123_Sc1Sn1W2C1 |
[
"Er",
"I",
"Pr",
"Rh"
] | 4 | ABCD | ErIPrRh | Pr1 Er1 Rh1 I1 | 4 | [
1,
1,
1
] | 3 | [
[
4.11408558,
-0.00033139,
-0.00043051
],
[
-2.05642446,
3.56278365,
0.00008567
],
[
-2.05728948,
-1.18708749,
8.07653668
]
] | agm005201473 | [
[
0.3884334964867775,
-0.2604507880081628,
5.5173442002855655
],
[
-1.667750568831269,
3.3020193625062233,
0.4018881662133738
],
[
-1.6683196172456052,
0.9272449167305241,
7.101879811805884
],
[
2.445130389154402,
0.927706470486141,
2.886284663496343
]
] | [{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Pr",
"Er",
"Rh",
"I"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.484799,
-0.00235383,
0.00241708
],
[
-0.00235387,
1.4995383,
-0.00278275
],
[
0.00241717,
-0.0027825,
1.6274717
]
] | -21.961707 | [
0,
0,
0,
0
] | [
[
-0.00003264,
0.00019553,
0.0150451
],
[
-0.00019292,
0.00030597,
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],
[
-0.00053824,
0.00017258,
0.01049257
],
[
0.0007638,
-0.00067408,
-0.00018758
]
] | 0 | 0.158402 | pbe | true | 63b5fa01647f6679886cfb944a4f1418_160_Pr1Er1Rh1I1 |
[
"Ge",
"O",
"Pa",
"Rh"
] | 8 | ABCD | GeOPaRh | Pa2 Ge2 Rh2 O2 | 4 | [
1,
1,
1
] | 3 | [
[
4.03140964,
0,
0
],
[
0,
4.03140964,
0
],
[
0,
0,
7.91968298
]
] | agm005202065 | [
[
2.01570482,
0,
5.211677109396212
],
[
0,
2.01570482,
2.7080058706037877
],
[
0,
2.01570482,
6.511384519714312
],
[
2.01570482,
0,
1.4082984602856885
],
[
2.01570482,
2.01570482,
0
],
[
0,
0,
0
],
[
0,
0,
3.95984149
],
[
2.01570482,
2.01570482,
3.95984149
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Pa",
"Pa",
"Ge",
"Ge",
"Rh",
"Rh",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-0.18947802,
0,
0
],
[
0,
-0.18947802,
0
],
[
0,
0,
0.09223165
]
] | -67.044058 | [
0.004,
0.004,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00319762
],
[
0,
0,
-0.00319762
],
[
0,
0,
0.00404568
],
[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.008366 | 5.098638 | pbe | true | 1f5eec297f0af6415577c35557e42b1c_129_Pa2Ge2Rh2O2 |
[
"Ir",
"Mg",
"Pr"
] | 18 | A6B2C | IrMg2Pr6 | Pr12 Mg4 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
7.22211865,
0,
0.45191486
],
[
0,
7.359041,
0
],
[
-0.37287651,
0,
11.35753244
]
] | agm003495103 | [
[
6.548850777808319,
0.22676943713828002,
3.3108163103994572
],
[
5.598483312488567,
4.983033025201161,
6.347286044463843
],
[
5.610505572826523,
5.148332466456851,
11.427183265917357
],
[
4.663357637173476,
1.46881196645685,
6.286987684082644
],
[
4.675379897511433,
1.3035125252011601,
11.366884905536157
],
[
4.09788894219168,
3.90628993713828,
3.045822199600543
],
[
0.3003913621916805,
7.13227156286172,
8.498630989600544
],
[
1.2507588275114319,
2.3760079747988403,
5.462161255536157
],
[
1.2387365671734771,
2.21070853354315,
0.38226403408264303
],
[
2.185884502826523,
5.89022903354315,
5.522459615917358
],
[
2.173862242488568,
6.05552847479884,
0.44256239446384277
],
[
2.7513531978083194,
3.4527510628617204,
8.763625100399457
],
[
6.524446579669642,
3.07614742990048,
8.92654992842838
],
[
3.7494166303303573,
6.755667929900481,
8.78762102157162
],
[
3.0998255096696417,
0.60337307009952,
3.021826278428378
],
[
0.324795560330358,
4.28289357009952,
2.8828973715716213
],
[
3.611059325,
3.6795205,
0.22595743
],
[
-0.186438255,
0,
5.67876622
]
] | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Mg",
"Mg",
"Mg",
"Mg",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.2222222222222222,
0.6666666666666666
] | [
[
0.7684328,
0,
0.03656578
],
[
0,
0.6352248,
0
],
[
0.0365658,
0,
0.55388767
]
] | -83.317986 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00020346,
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0.00091463
],
[
-0.00076591,
0.00036793,
-0.00045071
],
[
0.00205467,
0.00232906,
-0.0016083
],
[
-0.00205467,
0.00232906,
0.0016083
],
[
0.00076591,
0.00036793,
0.00045071
],
[
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],
[
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[
0.00076591,
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0.00045071
],
[
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-0.00232906,
0.0016083
],
[
0.00205467,
-0.00232906,
-0.0016083
],
[
-0.00076591,
-0.00036793,
-0.00045071
],
[
0.00020346,
0.00267638,
0.00091463
],
[
-0.01447033,
0.00252827,
-0.008908
],
[
0.01447033,
0.00252827,
0.008908
],
[
-0.01447033,
-0.00252827,
-0.008908
],
[
0.01447033,
-0.00252827,
0.008908
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000119 | 23.573107 | pbe | true | ffc5114c73c987be97ee689a5b88c5ce_14_Pr12Mg4Ir2 |
[
"Mo",
"N",
"Y"
] | 10 | A3BC | MoN3Y | Y2 Mo2 N6 | 3 | [
1,
1,
1
] | 3 | [
[
3.67720167,
0,
0
],
[
0,
5.61010916,
-0.03883344
],
[
0,
-2.69275312,
7.64675711
]
] | agm003718339 | [
[
0.9193004175,
0.7217054568097926,
1.3943308789615854
],
[
2.7579012525,
2.195650583190208,
6.213592791038415
],
[
0.9193004175,
-0.9164002912943259,
5.160942860303137
],
[
2.7579012525,
3.833756331294327,
2.4469808096968637
],
[
0.9193004175,
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6.729574567804604
],
[
2.7579012525,
4.847102080064152,
0.8783491021953963
],
[
0.9193004175,
4.53003316029709,
2.949345238737664
],
[
2.7579012525,
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4.658578431262336
],
[
0.9193004175,
0.8242353026945337,
5.58702488170181
],
[
2.7579012525,
2.0931207373054668,
2.0208987882981915
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Y",
"Mo",
"Mo",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.48670274,
0,
0
],
[
0,
0.41856086,
-0.0286655
],
[
0,
-0.02866546,
0.6206956
]
] | -93.357962 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00053038,
-0.00132465
],
[
0,
-0.00053038,
0.00132465
],
[
0,
0.00418681,
-0.00300506
],
[
0,
-0.00418681,
0.00300506
],
[
0,
-0.00245283,
0.00176578
],
[
0,
0.00245283,
-0.00176578
],
[
0,
0.00173822,
0.00044675
],
[
0,
-0.00173822,
-0.00044675
],
[
0,
-0.0022486,
0.00146586
],
[
0,
0.0022486,
-0.00146586
]
] | 0 | -0.000807 | pbe | true | bcddf2d54673fc2e1d00296f694768e6_11_Y2Mo2N6 |
[
"Ru",
"Sc",
"Tl"
] | 4 | A2BC | RuSc2Tl | Sc2 Tl1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
9.03241955,
0.00606082,
0.00358076
],
[
8.42452999,
3.25759637,
0.00358076
],
[
8.42452999,
1.57500472,
2.85154468
]
] | agm003820066 | [
[
19.411109647500002,
3.6289964325,
2.14402965
],
[
0.3374592942590392,
0.0630895707262024,
0.037273641007568
],
[
12.60328047074096,
2.3562413842737975,
1.392079458992432
],
[
6.4703698825,
1.2096654775,
0.71467655
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}] | [
"Ru",
"Sc",
"Sc",
"Tl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.6453424,
-0.05847703,
-0.03454853
],
[
-0.05847703,
5.947197,
-0.00645901
],
[
-0.03454853,
-0.00645901,
5.9543138
]
] | -25.473244 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
6.7e-7,
1.2e-7,
7e-8
],
[
-6.7e-7,
-1.2e-7,
-7e-8
],
[
0,
0,
0
]
] | -0 | 1.447436 | pbe | true | ff7b4b51d3dd538516274b90391f6c22_166_Sc2Tl1Ru1 |
[
"Gd",
"Pm",
"Sm"
] | 4 | A2BC | GdPm2Sm | Pm2 Sm1 Gd1 | 3 | [
1,
1,
1
] | 3 | [
[
5.12989463,
0,
0
],
[
0,
5.13031043,
0
],
[
0,
0,
5.13031043
]
] | agm001219745 | [
[
2.564947315,
2.565155215,
2.565155215
],
[
2.564947315,
0,
0
],
[
0,
0,
2.565155215
],
[
0,
2.565155215,
0
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Gd",
"Sm",
"Pm",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.94079834,
0,
0
],
[
0,
1.0109439,
0
],
[
0,
0,
1.0109439
]
] | -28.254312 | [
7.158,
-0.028,
-0.028,
-0.028
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.268497 | 6.491842 | pbe | true | 311829d046a5eccb149c018566a77c5b_123_Pm2Sm1Gd1 |
[
"Ce",
"Lu",
"Pu"
] | 4 | A2BC | Ce2LuPu | Ce2 Lu1 Pu1 | 3 | [
1,
1,
1
] | 3 | [
[
3.37828703,
0,
0
],
[
0,
3.37828703,
0
],
[
0,
0,
9.55683975
]
] | agm001162555 | [
[
1.689143515,
1.689143515,
4.778419875
],
[
0,
0,
7.3288792158446325
],
[
0,
0,
2.2279605341553674
],
[
1.689143515,
1.689143515,
0
]
] | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Lu",
"Ce",
"Ce",
"Pu"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.2127762,
0,
0
],
[
0,
2.2127762,
0
],
[
0,
0,
2.389
]
] | -30.304001 | [
-0.185,
-0.307,
-0.307,
5.076
] | [
[
0,
0,
0
],
[
0,
0,
-0.00297835
],
[
0,
0,
0.00297835
],
[
0,
0,
0
]
] | 4.190321 | 10.40181 | pbe | true | b664704d85bdcbeaf12781e27a5549f1_123_Ce2Lu1Pu1 |
[
"Hg",
"Sn",
"Ti"
] | 11 | A7B2C2 | Hg2Sn2Ti7 | Ti7 Sn2 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
4.90861316,
-1.03727401,
-1.54552581
],
[
-1.53596751,
6.85330432,
0.10098278
],
[
-1.33949981,
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7.0728245
]
] | agm003317607 | [
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0.01754991517669491,
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Ti",
"Sn",
"Sn",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.18181818181818182,
0.6363636363636364
] | [
[
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[
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],
[
-0.12713721,
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]
] | -63.743611 | [
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0.359,
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0.359,
0.166,
0.123,
0.123,
-0.006,
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0.004,
0.004
] | [
[
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[
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[
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[
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0.00238557
],
[
0.00118583,
0.00256234,
-0.00238557
]
] | 1.192288 | 13.152948 | pbe | true | 1cb1098b91ad544088ea5ae01b79b805_2_Ti7Sn2Hg2 |
[
"I",
"Pd",
"Zr"
] | 8 | A2BC | IPdZr2 | Zr4 Pd2 I2 | 3 | [
1,
1,
1
] | 3 | [
[
6.19436703,
0,
0
],
[
0,
6.19436703,
0
],
[
3.09718352,
3.09718352,
6.50104419
]
] | agm002906031 | [
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[
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[
3.097183515,
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0
],
[
3.0971835175000004,
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"I",
"I",
"Zr",
"Zr",
"Zr",
"Zr",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
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[
2.0267842,
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0
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[
0,
2.0267842,
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[
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0,
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] | -45.158048 | [
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 7.987042 | pbe | true | e0b1b238a637315b5f6e525394559707_122_Zr4Pd2I2 |
[
"As",
"O",
"P",
"Sb"
] | 5 | A2BCD | AsOP2Sb | Sb1 As1 P2 O1 | 4 | [
1,
1,
1
] | 3 | [
[
4.86957747,
0,
0
],
[
0,
4.86957747,
0
],
[
0,
0,
3.73281201
]
] | agm001759784 | [
[
2.434788735,
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[
0,
0,
0
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[
0,
0,
1.866406005
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[
0,
2.434788735,
0
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[
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0,
0
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Sb",
"As",
"O",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
0.37215367,
0,
0
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[
0,
0.37215367,
0
],
[
0,
0,
0.23530677
]
] | -23.339609 | [
0,
0,
0,
0,
0
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[
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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
]
] | 0.000008 | 2.304531 | pbe | true | 1928d07fecabc36e37aa6cf86436d15f_123_Sb1As1P2O1 |
[
"C",
"Ru",
"Ta",
"Tc"
] | 5 | A2BCD | CRuTaTc2 | Ta1 Tc2 Ru1 C1 | 4 | [
1,
1,
1
] | 3 | [
[
4.09746965,
0,
0
],
[
0,
4.09746965,
0
],
[
0,
0,
4.04117003
]
] | agm001666893 | [
[
0,
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[
0,
0,
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[
0,
2.048734825,
0
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[
2.048734825,
0,
0
],
[
2.048734825,
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2.020585015
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}] | [
"Ru",
"C",
"Tc",
"Tc",
"Ta"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.38378477,
0,
0
],
[
0,
0.38378477,
0
],
[
0,
0,
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]
] | -51.880217 | [
0,
0,
0,
0,
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
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[
0,
0,
0
]
] | -0.000005 | 2.579042 | pbe | true | 3137e442abf6f4050dedd6af4b403a51_123_Ta1Tc2Ru1C1 |
[
"Dy",
"In",
"La",
"Pm"
] | 12 | A6B3C2D | Dy3InLa2Pm6 | La2 Pm6 Dy3 In1 | 4 | [
1,
1,
1
] | 3 | [
[
6.21219208,
-0.00335085,
-0.00576863
],
[
-3.10748642,
5.37911422,
-0.00576863
],
[
-1.0276893,
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11.76567374
]
] | agm004653071 | [
[
0.0006998920133653487,
3.5840196515055975,
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[
3.104005767986635,
1.791743718494402,
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[
3.085048649763612,
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[
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[
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[
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[
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[
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[
4.13995627126108,
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5.87706824
],
[
1.0385081800000002,
1.798165375,
5.87706824
],
[
0,
0,
0
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
"La",
"La",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Pm",
"Dy",
"Dy",
"Dy",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.08333333333333333,
0.16666666666666666,
0.5
] | [
[
1.0680168,
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[
-0.0013762,
1.0664287,
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],
[
-0.00362768,
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1.0313164
]
] | -55.648596 | [
0,
0,
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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[
0.00135047,
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[
-0.00135047,
0.00077995,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000007 | 14.91618 | pbe | true | f4ba6ac84f91f50e01973366a23d1413_12_La2Pm6Dy3In1 |
[
"Ga",
"Gd",
"Ge",
"Sm"
] | 4 | ABCD | GaGdGeSm | Sm1 Gd1 Ga1 Ge1 | 4 | [
1,
1,
1
] | 3 | [
[
5.1330481,
0,
0
],
[
2.56652405,
4.44535005,
0
],
[
2.56652405,
1.48178335,
4.19111622
]
] | agm001287263 | [
[
2.56652405,
1.48178335,
1.047779055
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[
5.1330481,
2.9635667,
2.09555811
],
[
7.69957215,
4.44535005,
3.1433371649999997
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Ge",
"Gd",
"Ga",
"Sm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.9737513,
0,
0
],
[
0,
1.9737513,
0
],
[
0,
0,
1.9737513
]
] | -28.796658 | [
-0.024,
7.011,
-0.025,
0.022
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.091476 | 2.161374 | pbe | true | e8c1abc072bd41a0e970e0596c1f011f_216_Sm1Gd1Ga1Ge1 |
[
"Gd",
"Ge",
"Pa",
"Zn"
] | 4 | ABCD | GdGePaZn | Gd1 Pa1 Zn1 Ge1 | 4 | [
1,
1,
1
] | 3 | [
[
5.04386538,
0,
0
],
[
2.52193269,
4.36811555,
0
],
[
2.52193269,
1.45603852,
4.11829884
]
] | agm001287707 | [
[
0,
0,
0
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[
2.52193269,
1.4560385175,
1.02957471
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[
5.04386538,
2.912077035,
2.05914942
],
[
7.56579807,
4.3681155525,
3.0887241299999997
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Gd",
"Ge",
"Pa",
"Zn"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.0312996,
0,
0
],
[
0,
2.0312996,
0
],
[
0,
0,
2.0312996
]
] | -30.457724 | [
7.185,
-0.013,
0.839,
0.016
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 8.439967 | 7.867332 | pbe | true | 011f47f1459b2675cd04049afda5afe7_216_Gd1Pa1Zn1Ge1 |
[
"Ac",
"Al",
"Hg"
] | 12 | A3B2C | Ac3AlHg2 | Ac6 Al2 Hg4 | 3 | [
1,
1,
1
] | 3 | [
[
5.67686424,
0,
0
],
[
-2.83843162,
4.91630837,
0
],
[
0,
0,
14.01419204
]
] | agm005727381 | [
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[
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[
0,
0,
10.451361895541993
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[
0,
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3.5628301444580055
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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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[
2.83843512509862,
1.63876781789721,
11.650452603383698
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[
0,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ac", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ac"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Ac",
"Ac",
"Ac",
"Ac",
"Ac",
"Ac",
"Al",
"Al",
"Hg",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.5,
0.16666666666666666,
0.3333333333333333
] | [
[
1.972414,
2e-7,
0
],
[
2e-7,
1.9724138,
0
],
[
0,
0,
1.8419863
]
] | -37.809473 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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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[
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[
0,
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[
0,
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[
0,
0,
0.00099349
],
[
0,
0,
-0.00099349
],
[
0,
0,
0
]
] | -0.005549 | 15.616369 | pbe | true | 1d9ca066df33675783e6fbbb50e6d88c_164_Ac6Al2Hg4 |
[
"C",
"Ce",
"Lu"
] | 4 | A2BC | CCe2Lu | Ce2 Lu1 C1 | 3 | [
1,
1,
1
] | 3 | [
[
3.51411339,
0,
0
],
[
1.7570567,
3.04331147,
0
],
[
1.7570567,
1.01443716,
9.25776852
]
] | agm001955128 | [
[
0,
0,
0
],
[
3.514113395,
2.028874315,
4.62888426
],
[
1.7570584366764865,
1.0144381614831421,
1.4544611646484922
],
[
5.271168353323513,
3.0433104685168577,
7.803307355351508
]
] | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"C",
"Lu",
"Ce",
"Ce"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.2718407,
0,
0
],
[
0,
0.2718407,
0
],
[
0,
0,
0.08286934
]
] | -25.706162 | [
0.023,
-0.253,
-0.593,
-0.593
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00168731
],
[
0,
0,
-0.00168731
]
] | -1.977673 | 8.670242 | pbe | true | 2762264b81dee599f0a2ac467d5585e1_166_Ce2Lu1C1 |
[
"Co",
"Mg",
"Na"
] | 5 | A3BC | Co3MgNa | Na1 Mg1 Co3 | 3 | [
1,
1,
1
] | 3 | [
[
4.42953824,
0,
0
],
[
0,
4.42953824,
0
],
[
0,
0,
4.42953824
]
] | agm002543490 | [
[
0,
0,
0
],
[
2.21476912,
2.21476912,
2.21476912
],
[
0,
2.21476912,
0
],
[
0,
0,
2.21476912
],
[
2.21476912,
0,
0
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Na",
"Mg",
"Co",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
-0.5133263,
0,
0
],
[
0,
-0.5133263,
0
],
[
0,
0,
-0.5133263
]
] | -15.896248 | [
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-0.03,
1.721,
1.611,
1.378
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.238065 | 13.637996 | pbe | true | 843380d396afb9da0dc743c207aab370_221_Na1Mg1Co3 |
[
"Co",
"Sr",
"Te"
] | 6 | A4BC | Co4SrTe | Sr1 Co4 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.65254604,
3.65254604
],
[
3.65254604,
0,
3.65254604
],
[
3.65254604,
3.65254604,
0
]
] | agm005460636 | [
[
5.478819059999999,
5.478819059999999,
5.478819059999999
],
[
2.7378916049166966,
4.567200475083303,
4.567200475083303
],
[
4.567200475083303,
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2.7378916049166966
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[
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],
[
2.7378916049166966,
2.7378916049166966,
2.7378916049166966
],
[
0,
0,
0
]
] | [{"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"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Co",
"Co",
"Co",
"Co",
"Te"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
1.4996077,
0,
0
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[
0,
1.4996077,
0
],
[
0,
0,
1.4996077
]
] | -31.592726 | [
-0.098,
1.623,
1.623,
1.623,
1.623,
0.045
] | [
[
0,
0,
0
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[
0.00202425,
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[
-0.00202425,
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0.00202425
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[
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-0.00202425
],
[
0.00202425,
0.00202425,
0.00202425
],
[
0,
0,
0
]
] | 6.156768 | 8.183393 | pbe | true | 03510942ea1e7846d49e0495b7c32459_216_Sr1Co4Te1 |
[
"Li",
"Nd",
"O",
"Pu"
] | 9 | A6BCD | LiNdO6Pu | Li1 Nd1 Pu1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.10393833,
0,
0
],
[
0,
5.35890015,
0
],
[
0,
-2.67945007,
4.64094366
]
] | agm005079893 | [
[
2.551969165,
0,
0
],
[
0,
-2.3461167525343755e-8,
3.093962455469812
],
[
2.551969165,
2.6794501034611677,
1.5469812045301876
],
[
3.6637155961210457,
1.9137005983167943,
2.9866785498420145
],
[
3.6637155961210457,
1.8155103520457807,
0.16397405344230298
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[
3.6637155961210457,
4.309139279637425,
1.4902910567156826
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[
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1.0497608735737562,
1.4902910567156826
],
[
1.4402227338789544,
3.54338979830754,
0.16397405344230298
],
[
1.4402227338789544,
3.4451995581187043,
2.9866785498420145
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Li",
"Nd",
"Pu",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.1111111111111111,
0.6666666666666666,
0.1111111111111111
] | [
[
0.90474,
0,
0
],
[
0,
0.85036093,
0
],
[
0,
0,
0.85036093
]
] | -72.459235 | [
0,
0.001,
-0.109,
0.007,
0.007,
0.007,
0.007,
0.007,
0.007
] | [
[
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0.00053638,
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[
0.00053638,
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[
0.00053638,
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[
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[
-0.00053638,
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-0.00135947
],
[
-0.00053638,
0.00265595,
-0.00188132
]
] | -0.064096 | 2.538688 | pbe | true | 579587f9c6ef9af14e233f7d1383003a_149_Li1Nd1Pu1O6 |
[
"Al",
"Ba",
"Ir",
"K"
] | 5 | A2BCD | AlBaIrK2 | K2 Ba1 Al1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
6.86201123,
0,
0
],
[
0,
5.21103553,
0
],
[
0,
0,
6.86201123
]
] | agm001581455 | [
[
0,
0,
3.431005615
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[
3.431005615,
0,
0
],
[
0,
2.605517765,
0
],
[
0,
0,
0
],
[
3.431005615,
2.605517765,
3.431005615
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}] | [
"K",
"K",
"Ir",
"Ba",
"Al"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.9026427,
0,
0
],
[
0,
1.5877377,
0
],
[
0,
0,
0.9026427
]
] | -11.161584 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 5.432367 | pbe | true | 045ce9f31a959e3221d852ec41471d89_123_K2Ba1Al1Ir1 |
[
"Cl",
"Fe",
"P",
"Pd"
] | 5 | A2BCD | ClFeP2Pd | Fe1 P2 Pd1 Cl1 | 4 | [
1,
1,
1
] | 3 | [
[
4.64040498,
0,
0
],
[
0,
4.64040498,
0
],
[
0,
0,
4.89369905
]
] | agm001757036 | [
[
0,
2.32020249,
0
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[
2.32020249,
0,
0
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[
2.32020249,
2.32020249,
2.446849525
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[
0,
0,
0
],
[
0,
0,
2.446849525
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] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
"P",
"Fe",
"Pd",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
2.0411549,
0,
0
],
[
0,
2.0411549,
0
],
[
0,
0,
2.083308
]
] | -21.819485 | [
-0.076,
-0.076,
3.379,
-0.056,
0.04
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.269297 | 6.24067 | pbe | true | fd8341b1202cba98f6806f9726c65809_123_Fe1P2Pd1Cl1 |
[
"Cu",
"I"
] | 6 | AB | CuI | Cu3 I3 | 2 | [
1,
1,
1
] | 3 | [
[
17.57057995,
0,
0
],
[
-8.78528997,
15.21656859,
0
],
[
0,
0,
4.25312128
]
] | agm1000013275 | [
[
4.933628212076263,
8.852145347501358,
1.38867705960992
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[
3.724752719525276,
6.434714202946231,
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[
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[
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3.5078354822717825
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[
6.324492654146806,
6.650854756003482,
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]
] | [{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Cu",
"Cu",
"Cu",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
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[
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[
-0.01221437,
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] | -17.742589 | [
0,
0,
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0,
0,
0
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[
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[
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[
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],
[
-0.00054428,
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-0.00977182
]
] | -0 | 0 | pbe | true | 8e89d51c7e24856e2b887765655c8a43_1_Cu3I3 |
[
"Ag",
"In",
"Sr",
"Tl"
] | 20 | A6B2CD | AgIn6Sr2Tl | Sr4 Tl2 In12 Ag2 | 4 | [
1,
1,
1
] | 3 | [
[
7.36098924,
0,
0
],
[
3.68049462,
6.37480368,
0
],
[
3.68049462,
2.12493456,
13.38264878
]
] | agm004966599 | [
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11.041487577299566,
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[
3.6804909027004338,
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[
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[
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[
0,
0,
0
],
[
7.36098924,
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6.69132439
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}] | [
"Sr",
"Sr",
"Sr",
"Sr",
"Tl",
"Tl",
"In",
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"In",
"In",
"In",
"In",
"In",
"In",
"In",
"In",
"In",
"In",
"Ag",
"Ag"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.2,
0.1
] | [
[
3.68827,
0,
0
],
[
0,
3.68827,
0
],
[
0,
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3.7587736
]
] | -52.318778 | [
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0,
0,
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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[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 9.784339 | pbe | true | afacfa66d3a5a87d8cebef3054457ec8_166_Sr4Tl2In12Ag2 |
[
"B",
"Li",
"Rb",
"Tl"
] | 5 | A2BCD | BLiRb2Tl | Rb2 Li1 Tl1 B1 | 4 | [
1,
1,
1
] | 3 | [
[
7.28254828,
0,
0
],
[
0,
4.17617197,
0
],
[
0,
0,
7.28254828
]
] | agm001517946 | [
[
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[
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[
0,
0,
3.64127414
],
[
3.64127414,
0,
0
],
[
3.64127414,
2.088085985,
3.64127414
]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}] | [
"Tl",
"B",
"Rb",
"Rb",
"Li"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
-0.43064198,
0,
0
],
[
0,
0.95471144,
0
],
[
0,
0,
-0.43064198
]
] | -9.67901 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.631173 | pbe | true | 269e09018a6feb10ad3cb9eaaea1d79f_123_Rb2Li1Tl1B1 |
[
"Ba",
"Cs",
"F",
"Zn"
] | 15 | A9B3C2D | BaCs3F9Zn2 | Cs3 Ba1 Zn2 F9 | 4 | [
1,
1,
1
] | 3 | [
[
6.36511176,
0,
0
],
[
-3.18255588,
5.51234848,
0
],
[
0,
0,
8.02960006
]
] | agm004677100 | [
[
-3.182555888993702e-8,
3.6748990050411616,
5.569653873314415
],
[
0,
0,
0
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[
3.1825559118255593,
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[
0,
0,
4.01480003
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[
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[
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6.8184118948135755
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[
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[
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[
1.440690662006215,
4.506682127880007,
2.4142912457764343
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[
6.84593085765755e-17,
2.011332704239987,
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[
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2.4142912457764343
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[
3.18255588,
0,
0
],
[
-1.59127794,
2.75617424,
0
],
[
1.59127794,
2.75617424,
0
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Cs",
"Cs",
"Ba",
"Zn",
"Zn",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.06666666666666667,
0.2,
0.6,
0.13333333333333333
] | [
[
1.734533,
0,
0
],
[
0,
1.734533,
0
],
[
0,
0,
1.8429109
]
] | -65.603685 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00278945
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[
0,
0,
0
],
[
0,
0,
-0.00278945
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[
0,
0,
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[
0,
0,
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[
0,
0,
0.00039197
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[
0.00655356,
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[
0,
0.0075674,
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[
-0.00655356,
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0.00452501
],
[
0.00655356,
0.0037837,
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],
[
0,
-0.0075674,
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[
-0.00655356,
0.0037837,
-0.00452501
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 0 | pbe | true | b40021ecc68ec2bce6677c69c1416847_164_Cs3Ba1Zn2F9 |
[
"Cd",
"N",
"O",
"Sr"
] | 5 | A2BCD | CdNO2Sr | Sr1 Cd1 N1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
4.33789651,
0,
0
],
[
0,
4.33789651,
0
],
[
0,
0,
4.16477378
]
] | agm001751422 | [
[
2.168948255,
2.168948255,
2.08238689
],
[
0,
0,
2.08238689
],
[
0,
2.168948255,
0
],
[
2.168948255,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Sr",
"N",
"O",
"O",
"Cd"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
0.9401512,
0,
0
],
[
0,
0.9401512,
0
],
[
0,
0,
0.5692238
]
] | -22.628445 | [
-0.001,
0.929,
0.243,
0.243,
0.06
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.955163 | 1.681146 | pbe | true | 3520d7e4bc75e81020fb4e0de5961f6f_123_Sr1Cd1N1O2 |
[
"Hf",
"Hg",
"Np"
] | 4 | A2BC | Hf2HgNp | Hf2 Np1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
3.22293213,
0,
0
],
[
0,
5.16163911,
0
],
[
0,
0,
5.16163911
]
] | agm001208565 | [
[
1.611466065,
2.580819555,
2.580819555
],
[
0,
0,
2.580819555
],
[
0,
2.580819555,
0
],
[
1.611466065,
0,
0
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}] | [
"Np",
"Hf",
"Hf",
"Hg"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.991386,
0,
0
],
[
0,
4.4115944,
0
],
[
0,
0,
4.4115944
]
] | -32.352025 | [
3.567,
0.126,
0.126,
-0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.056981 | 7.68576 | pbe | true | febdb1c386c2c1457bbd6390079715f3_123_Hf2Np1Hg1 |
[
"Li",
"Sn",
"Te"
] | 5 | A3BC | LiSn3Te | Li1 Sn3 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
5.12694187,
0,
0
],
[
0,
5.12694187,
0
],
[
0,
0,
5.12694187
]
] | agm002512847 | [
[
2.563470935,
2.563470935,
2.563470935
],
[
0,
2.563470935,
0
],
[
0,
0,
2.563470935
],
[
2.563470935,
0,
0
],
[
0,
0,
0
]
] | [{"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": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Te",
"Sn",
"Sn",
"Sn",
"Li"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
3.4418123,
0,
0
],
[
0,
3.4418123,
0
],
[
0,
0,
3.4418123
]
] | -16.465835 | [
0,
-0.001,
0,
0.001,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.386637 | pbe | true | e22d9b7be977ffe1267be5f2d18c426e_221_Li1Sn3Te1 |
[
"Mo",
"Re",
"Sb"
] | 4 | A2BC | MoReSb2 | Re1 Sb2 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
4.87501474,
0,
0
],
[
0,
3.21352341,
0.00200587
],
[
0,
-0.00305341,
4.72682053
]
] | agm003796715 | [
[
0,
1.2033858205048233,
2.452968536304488
],
[
2.43750737,
2.8095169402063576,
3.465118847258175
],
[
0,
2.8117986039245317,
0.0243326403507699
],
[
2.43750737,
1.2045270453642876,
1.152825446086568
]
] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}] | [
"Mo",
"Re",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
5.9730153,
0,
0
],
[
0,
5.9711833,
0.01525229
],
[
0,
0.01525247,
6.211349
]
] | -29.97624 | [
0,
0,
0,
0
] | [
[
0,
0.00027999,
0.00479018
],
[
0,
0.00067634,
-0.00161146
],
[
0,
0.00016778,
-0.00082682
],
[
0,
-0.0011241,
-0.0023519
]
] | 0 | 2.960653 | pbe | true | 411f3b84cfd5e8a3077381f5394d4b7a_25_Re1Sb2Mo1 |
[
"Nb",
"Rb",
"Sn"
] | 8 | A2BC | NbRbSn2 | Rb2 Nb2 Sn4 | 3 | [
1,
1,
1
] | 3 | [
[
6.58153325,
0,
0
],
[
0,
6.58153325,
0
],
[
3.29076663,
3.29076663,
8.53100695
]
] | agm002879489 | [
[
0,
0,
0
],
[
6.5815332525,
3.2907666275,
4.265503475
],
[
6.549809866093005,
1.64538331375,
2.1327517375
],
[
6.6132566364069945,
4.93614993875,
2.1327517375
],
[
4.93614994125,
3.322490013906995,
6.3982552125000005
],
[
8.226916566249999,
3.2590432435930046,
6.3982552125000005
],
[
3.290766625,
3.290766625,
0
],
[
3.2907666275,
6.5815332525,
4.265503475
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Nb",
"Nb",
"Sn",
"Sn",
"Sn",
"Sn",
"Rb",
"Rb"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.6901299,
0,
0
],
[
0,
1.6901299,
0
],
[
0,
0,
2.470863
]
] | -34.614272 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.01211724,
0,
0
],
[
0.01211724,
0,
0
],
[
0,
0.01211724,
0
],
[
0,
-0.01211724,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000154 | 7.380446 | pbe | true | 2e90cbc5d27a2865b0fd23c7a7be226c_122_Rb2Nb2Sn4 |
[
"Cr",
"Re",
"W"
] | 10 | A5B4C | Cr4ReW5 | Cr4 Re1 W5 | 3 | [
1,
1,
1
] | 3 | [
[
3.05073157,
0,
0
],
[
0,
3.05073157,
0
],
[
0,
0,
15.31891362
]
] | agm006120627 | [
[
0,
0,
3.1365769760091506
],
[
0,
0,
6.15113803908932
],
[
0,
0,
9.16777558091068
],
[
0,
0,
12.18233664399085
],
[
0,
0,
0
],
[
1.525365785,
1.525365785,
1.65550733545659
],
[
1.525365785,
1.525365785,
4.650966479198301
],
[
1.525365785,
1.525365785,
7.65945681
],
[
1.525365785,
1.525365785,
10.667947140801699
],
[
1.525365785,
1.525365785,
13.66340628454341
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}] | [
"Cr",
"Cr",
"Cr",
"Cr",
"Re",
"W",
"W",
"W",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.4,
0.1,
0.5
] | [
[
6.1160536,
0,
0
],
[
0,
6.1160536,
0
],
[
0,
0,
6.000471
]
] | -115.4351 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00390166
],
[
0,
0,
0.01077754
],
[
0,
0,
-0.01077754
],
[
0,
0,
-0.00390166
],
[
0,
0,
0
],
[
0,
0,
0.00846833
],
[
0,
0,
0.00308421
],
[
0,
0,
0
],
[
0,
0,
-0.00308421
],
[
0,
0,
-0.00846833
]
] | 0.000007 | 5.964041 | pbe | true | 3662cd01221f5fa940fb74d98c32d91e_123_Cr4Re1W5 |
[
"Er",
"In",
"O"
] | 4 | A2BC | Er2InO | Er2 In1 O1 | 3 | [
1,
1,
1
] | 3 | [
[
3.08763586,
0,
0
],
[
0,
3.08763586,
0
],
[
0,
0,
7.88216598
]
] | agm001117711 | [
[
1.54381793,
1.54381793,
3.94108299
],
[
1.54381793,
1.54381793,
0
],
[
0,
0,
6.3380380777340095
],
[
0,
0,
1.5441279022659906
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}] | [
"In",
"O",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.3037596,
0,
0
],
[
0,
0.3037596,
0
],
[
0,
0,
0.20551984
]
] | -21.198266 | [
0.001,
-0.001,
0.236,
0.236
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00041162
],
[
0,
0,
0.00041162
]
] | 0.474207 | 2.773417 | pbe | true | 504cfed402cc58fff5dd9b2aef93d509_123_Er2In1O1 |
[
"Ho",
"Pd",
"Te"
] | 20 | A6B3C | Ho6PdTe3 | Ho12 Te6 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
3.98331262,
0,
0
],
[
0,
10.77630025,
-3.65207448
],
[
0,
0.66370509,
13.04568224
]
] | agm005989457 | [
[
2.987484465,
5.576526174051743,
6.770415637115809
],
[
0.995828155,
5.863479165948256,
2.6231921228841912
],
[
2.987484465,
10.011635659915099,
-1.671158015158774
],
[
0.995828155,
1.4283696800849024,
11.064765775158772
],
[
2.987484465,
4.712208996817509,
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],
[
0.995828155,
6.727796343182492,
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],
[
2.987484465,
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1.450771566629709
],
[
0.995828155,
2.8993055903137277,
7.94283619337029
],
[
2.987484465,
1.3399034391804188,
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] | 0.953282 | 16.73861 | pbe | true | 3a3567c3162437baea362cd6ec9485b4_11_Ho12Te6Pd2 |
[
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1
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] | 0.000035 | 9.584377 | pbe | true | 482968867a4c2d26512af4686ed49f4f_15_Nd6Cd2Pb4 |
[
"Gd",
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1,
1,
1
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0
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] | -6.588683 | 6.788014 | pbe | true | d1b74fb20a47668131981fa4f05ea13a_216_La1Gd1Os4 |
[
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1,
1,
1
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[
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0
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[
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"Pb",
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] | 1.372317 | 8.709123 | pbe | true | 9c87cb10fcd62b05cb59b981a0b8590c_216_Ce1Ho1Tm1Pb1 |
[
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1,
1,
1
] | 3 | [
[
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0
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"Nd",
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] | -0.000003 | 5.84309 | pbe | true | 5f77ddfb208f57e8a468777181626f74_166_Nd2Dy1Hg2Pb2 |
[
"Er",
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"Sm",
"Tb"
] | 10 | A2BCD | Er2ScSmTb | Tb2 Sm2 Er4 Sc2 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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"Tb",
"Tb",
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"Sm",
"Er",
"Er",
"Er",
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"Sc",
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] | 2023-11-16 06:57:59 | [
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[
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] | 0.000164 | 12.03187 | pbe | true | 2992247bdf9e78781624affce41570a2_63_Tb2Sm2Er4Sc2 |
[
"Ga",
"La",
"Os",
"Pr"
] | 4 | ABCD | GaLaOsPr | La1 Pr1 Ga1 Os1 | 4 | [
1,
1,
1
] | 3 | [
[
5.16122828,
0,
0
],
[
2.58061414,
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[
2.58061414,
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] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
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[
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] | 0.000011 | 1.958574 | pbe | true | 3c659e725142708dbad1e0880aeeaa97_216_La1Pr1Ga1Os1 |
[
"Sr",
"Y"
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1,
1,
1
] | 3 | [
[
6.3629912,
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0
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[
3.1814956,
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] | 0.000044 | 4.482714 | pbe | true | 4906cbdac2471f596a970f8da1ef5d22_225_Sr3Y1 |
[
"Al",
"Li",
"Pu",
"Sb"
] | 12 | A2B2CD | AlLi2PuSb2 | Li4 Pu2 Al2 Sb4 | 4 | [
1,
1,
1
] | 3 | [
[
4.59817258,
0,
0
],
[
0,
6.32706694,
0
],
[
0,
0,
8.92110354
]
] | agm004739795 | [
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[
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] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Li",
"Li",
"Li",
"Li",
"Pu",
"Pu",
"Al",
"Al",
"Sb",
"Sb",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.3333333333333333,
0.16666666666666666,
0.3333333333333333
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0
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[
0,
0,
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] | -65.764166 | [
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5.449,
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[
0,
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[
0,
-0.00021247,
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]
] | 11.370229 | 16.649376 | pbe | true | e3f0ef953d66850853236ab8a8a26f51_26_Li4Pu2Al2Sb4 |
[
"As",
"C",
"Cl",
"Rb"
] | 10 | A6B2CD | AsCCl6Rb2 | Rb2 As1 C1 Cl6 | 4 | [
1,
1,
1
] | 3 | [
[
6.83706675,
0,
0
],
[
0,
6.83706675,
0
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[
3.41853338,
3.41853338,
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] | agm004482448 | [
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0,
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0
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[
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0
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[
6.8370667525,
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[
1.7792405787822074,
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0
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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}] | [
"As",
"C",
"Rb",
"Rb",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.1,
0.1,
0.6,
0.2
] | [
[
0.10222354,
0,
0
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[
0,
0.10222354,
0
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[
0,
0,
0.36444655
]
] | -32.214934 | [
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0.489,
0,
0,
0.011,
0.011,
0.006,
0.006,
0.009,
0.009
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[
0,
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[
0,
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[
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[
0.00336778,
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0
],
[
-0.00336778,
0.00336778,
0
]
] | 1.000001 | 0 | pbe | true | a319e9de4a624fc338cb792b0741c1f0_139_Rb2As1C1Cl6 |
[
"Au",
"Mg",
"Pr",
"Sr"
] | 4 | ABCD | AuMgPrSr | Sr1 Pr1 Mg1 Au1 | 4 | [
1,
1,
1
] | 3 | [
[
5.48579619,
0,
0
],
[
2.74289809,
4.75083886,
0
],
[
2.74289809,
1.58361295,
4.47913383
]
] | agm001375741 | [
[
8.2286942775,
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[
2.7428980925000004,
1.5836129525,
1.1197834575
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[
5.485796185000001,
3.167225905,
2.239566915
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[
0,
0,
0
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] | [{"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"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": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Pr",
"Sr",
"Mg",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.591242,
0,
0
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[
0,
1.591242,
0
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[
0,
0,
1.591242
]
] | -12.620406 | [
0,
0,
0,
0
] | [
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0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000012 | 3.891218 | pbe | true | ec8b07185a1b7a4f929dda0089d27dde_216_Sr1Pr1Mg1Au1 |
[
"Hf",
"N",
"Pt",
"Te"
] | 5 | A2BCD | HfN2PtTe | Hf1 Te1 Pt1 N2 | 4 | [
1,
1,
1
] | 3 | [
[
4.0544043,
0,
0
],
[
0,
4.0544043,
0
],
[
0,
0,
5.35801991
]
] | agm001738100 | [
[
0,
0,
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[
2.02720215,
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[
0,
0,
0
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[
0,
2.02720215,
0
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[
2.02720215,
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": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Te",
"Hf",
"Pt",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
0.5378571,
0,
0
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[
0,
0.5378571,
0
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[
0,
0,
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]
] | -29.737486 | [
0.056,
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0.327,
0.503,
0.503
] | [
[
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
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[
0,
0,
0
]
] | 1.361651 | 4.59194 | pbe | true | 280f7e867b697f164b14672785d8da67_123_Hf1Te1Pt1N2 |
[
"Li",
"Pd",
"Si",
"Sn"
] | 5 | A2BCD | Li2PdSiSn | Li2 Si1 Sn1 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
4.58143814,
0,
0
],
[
0,
5.05921893,
0
],
[
0,
0,
4.58143814
]
] | agm001600512 | [
[
2.29071907,
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2.29071907
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[
0,
2.529609465,
0
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[
0,
0,
0
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[
0,
0,
2.29071907
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[
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0,
0
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] | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"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": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Si",
"Sn",
"Pd",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
3.3927815,
0,
0
],
[
0,
2.811345,
0
],
[
0,
0,
3.3927815
]
] | -17.817365 | [
0,
0,
0,
0,
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,
0,
0
]
] | 0 | 2.185374 | pbe | true | c9ef0f64368eb86bf0bf2c522bcc532b_123_Li2Si1Sn1Pd1 |
[
"Cs",
"S",
"Tm"
] | 12 | A3B2C | CsS3Tm2 | Cs2 Tm4 S6 | 3 | [
1,
1,
1
] | 3 | [
[
3.88097925,
0,
0
],
[
0,
8.35079856,
-1.56317201
],
[
0,
-0.1674821,
10.32815491
]
] | agm005860881 | [
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0.9702448125,
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[
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[
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[
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[
2.9107344375000004,
6.894446706455485,
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]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Cs",
"Tm",
"Tm",
"Tm",
"Tm",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.5,
0.3333333333333333
] | [
[
-0.10615294,
0,
0
],
[
0,
-0.19951297,
0.00002727
],
[
0,
0.00002728,
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]
] | -64.79987 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
0.0012365,
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[
0,
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[
0,
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[
0,
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[
0,
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[
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[
0,
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[
0,
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[
0,
-0.00214582,
0.00356683
],
[
0,
0.00214582,
-0.00356683
]
] | -0.000367 | 5.843549 | pbe | true | 651d4605102c1d7e454f0d7384bbb56e_11_Cs2Tm4S6 |
[
"Cl",
"F",
"La"
] | 6 | ABC | ClFLa | La2 Cl2 F2 | 3 | [
1,
1,
1
] | 3 | [
[
3.46069848,
0,
0
],
[
-1.73034924,
5.97837921,
0
],
[
0,
0,
6.69063066
]
] | agm001016800 | [
[
1.7303509703492401,
1.029413529142374,
5.017972995
],
[
-0.0000017303492398455072,
4.948965680857626,
1.672657665
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[
0,
0,
3.34531533
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[
0,
0,
0
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[
1.7303492400000002,
1.8401305335927278,
1.672657665
],
[
9.774197256544994e-17,
4.138248676407272,
5.017972995
]
] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"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"]}] | [
"F",
"F",
"La",
"La",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
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[
0.5203409,
0,
0
],
[
0,
1.0004809,
0
],
[
0,
0,
0.95029974
]
] | -33.198186 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00446999,
0
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
-0.00293227,
0
],
[
0,
0.00293227,
0
]
] | -0 | 2.232806 | pbe | true | 40911194c1c29bd4b902383db5d44748_63_La2Cl2F2 |
[
"In",
"Th",
"Tm"
] | 4 | A2BC | InThTm2 | Tm2 Th1 In1 | 3 | [
1,
1,
1
] | 3 | [
[
4.77255083,
0,
0
],
[
0,
4.87934905,
0
],
[
0,
0,
4.87934905
]
] | agm001209991 | [
[
0,
0,
2.439674525
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[
0,
2.439674525,
0
],
[
2.386275415,
2.439674525,
2.439674525
],
[
2.386275415,
0,
0
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Tm",
"Tm",
"Th",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.699153,
0,
0
],
[
0,
1.6350814,
0
],
[
0,
0,
1.6350814
]
] | -19.898088 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000044 | 5.247529 | pbe | true | f969f6c40ce34149c0ce80bb5bb7ff14_123_Tm2Th1In1 |
[
"Ir",
"K",
"Se"
] | 6 | A4BC | Ir4KSe | K1 Ir4 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.78191072,
3.78191072
],
[
3.78191072,
0,
3.78191072
],
[
3.78191072,
3.78191072,
0
]
] | agm005476885 | [
[
5.67286608,
5.67286608,
5.67286608
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[
2.834173726535872,
4.729647713464128,
4.729647713464128
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[
4.729647713464128,
4.729647713464128,
2.834173726535872
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[
4.729647713464128,
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[
2.834173726535872,
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[
0,
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0.00010868
],
[
0,
-0.00332592,
-0.00010868
],
[
0,
0.00332592,
-0.00010868
]
] | 2.03484 | 3.502631 | pbe | true | f49b0a74d7b3e1abcc78ef2403fd6b9a_59_Mn2C6 |
[
"Ga",
"Se"
] | 10 | A3B2 | Ga2Se3 | Ga4 Se6 | 2 | [
1,
1,
1
] | 3 | [
[
7.20376308,
-7e-8,
0
],
[
-1.8e-7,
6.63802768,
0
],
[
0,
0,
18.50807867
]
] | agm2000016501 | [
[
4.5936809312981755,
0.5118487110074836,
9.254037484192132
],
[
2.6100913958347443,
3.830862636662584,
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[
0.0000036691150464,
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[
6.254996636407437,
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11.008076787269971
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[
6.254992458167036,
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[
0.9487984546193328,
3.831837845452075,
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[
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[
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[
4.919336532334484,
3.830862083181103,
9.254045812827535
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] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Ga",
"Ga",
"Ga",
"Ga",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.4,
0.6
] | [
[
0.4574997,
-2e-8,
0
],
[
-2e-8,
0.40592134,
0.00664035
],
[
0,
0.0066399,
0.0241561
]
] | -35.900508 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00020331,
0,
0
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[
0.00020331,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
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[
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[
0.00038142,
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[
0.00038142,
0.00051993,
0.00159447
],
[
-0.00092223,
0,
0
],
[
0.00092223,
0,
0
]
] | 0 | -0.027089 | pbe | true | c1ef01e4a0b85be781dfe2213866a306_51_Ga4Se6 |
[
"As",
"Nd",
"Th"
] | 10 | A5B4C | As5Nd4Th | Nd4 Th1 As5 | 3 | [
1,
1,
1
] | 3 | [
[
5.43872044,
0,
2.62324189
],
[
2.71936072,
6.74976641,
1.31162095
],
[
-0.21296647,
0,
7.39116057
]
] | agm006103274 | [
[
3.103889593852828,
2.7050244393850544,
7.478056376968573
],
[
6.406406751938916,
5.387079491174543,
7.580628917281818
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[
1.549704650080333,
1.3626869188254573,
3.75069850419283
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[
4.852221808166422,
4.044741970614946,
3.8532710445060747
],
[
2.7251638890966845,
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1.3144199753290489
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[
5.812352717037467,
2.6709672780054454,
8.812321149176562
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[
3.6722710477392475,
5.412208939016637,
6.299693076674287
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[
4.283880437649644,
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[
2.1437987139642196,
4.078799131994554,
2.5190255793583964
],
[
5.444864192285797,
6.74976641,
2.6262049516444304
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}] | [
"Nd",
"Nd",
"Nd",
"Nd",
"Th",
"As",
"As",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.5,
0.4,
0.1
] | [
[
0.19394416,
-2e-8,
-0.04272359
],
[
7e-8,
0.28252223,
-9e-8
],
[
-0.04272359,
9e-8,
0.26191545
]
] | -64.897702 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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[
0.00125278,
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[
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[
0.00150396,
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[
0.00045164,
0,
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[
0.00023117,
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[
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[
0.00096725,
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[
0.000027,
0.00192933,
0.00027391
],
[
-0.00266295,
0,
-0.00128441
]
] | -0.000003 | 2.464877 | pbe | true | f23e81ce67fb78e5e329cf062238bb2e_87_Nd4Th1As5 |
[
"As",
"I",
"Pr",
"Si"
] | 12 | A6B3C2D | As2I3Pr6Si | Pr6 Si1 As2 I3 | 4 | [
1,
1,
1
] | 3 | [
[
4.34977337,
0,
0
],
[
0,
9.26112276,
-0.03982967
],
[
-2.17488668,
-3.04830361,
9.52006588
]
] | agm004599097 | [
[
3.4752999226580728e-9,
6.135745900586459,
6.581516352802958
],
[
2.1748845118973392,
4.013755066012817,
3.3748657746214334
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2.1748866865247005,
0.07707324941353946,
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[
0.000002196744915594412,
1.9458133133537172,
0.1995748353340134
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[
2.174884493255084,
4.267005836646282,
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[
0.0000021781026607535013,
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[
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0
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[
2.174886710080031,
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6.3159572173730485
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[
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[
2.174886685,
4.63056138,
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[
2.17488668833403,
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6.341329120170956
],
[
1.665970020452032e-9,
6.68573077811761,
3.1389070898290448
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Pr",
"Si",
"As",
"As",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.25,
0.5,
0.08333333333333333
] | [
[
0.31007084,
0,
0
],
[
0,
0.29749322,
0.00777725
],
[
0,
0.00777723,
0.2745906
]
] | -62.482098 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
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0.00330937
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[
0,
0.00313792,
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[
0,
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[
0,
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[
0,
0.00137304,
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[
0,
0,
0
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[
0,
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[
0,
0.00160088,
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[
0,
0,
0
],
[
0,
-0.00090155,
-0.00227004
],
[
0,
0.00090155,
0.00227004
]
] | -0.00001 | 4.76592 | pbe | true | 22b5d54f2a1de1dd1f55f27de58f91db_12_Pr6Si1As2I3 |
[
"Au",
"Lu",
"Tm"
] | 4 | A2BC | AuLu2Tm | Tm1 Lu2 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
3.43582626,
0,
0
],
[
1.71791313,
2.97551282,
0
],
[
1.71791313,
0.99183761,
11.02190366
]
] | agm001958107 | [
[
3.43582626,
1.983675215,
5.51095183
],
[
1.7179148307339986,
0.9918385910838359,
8.259611358900509
],
[
5.153737689266001,
2.975511838916164,
2.76229230109949
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Lu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Lu"]}] | [
"Tm",
"Lu",
"Lu",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.91133463,
0,
0
],
[
0,
0.91133463,
0
],
[
0,
0,
1.1168126
]
] | -16.264398 | [
-0.001,
-0.001,
-0.001,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.00339605
],
[
0,
0,
-0.00339605
],
[
0,
0,
0
]
] | -0.003297 | 4.491355 | pbe | true | f5865998be121005fcb21148344df3d3_166_Tm1Lu2Au1 |
[
"Al",
"Na",
"Pd",
"Sn"
] | 5 | A2BCD | Al2NaPdSn | Na1 Al2 Sn1 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
4.78616525,
0,
0
],
[
0,
5.42640109,
0
],
[
0,
0,
4.78616525
]
] | agm001549513 | [
[
2.393082625,
2.713200545,
2.393082625
],
[
0,
2.713200545,
0
],
[
0,
0,
0
],
[
0,
0,
2.393082625
],
[
2.393082625,
0,
0
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Na",
"Sn",
"Pd",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
2.488017,
0,
0
],
[
0,
1.7885404,
0
],
[
0,
0,
2.488017
]
] | -18.210895 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.084792 | pbe | true | 1988ed2484922d6f89f3b6c80c36d273_123_Na1Al2Sn1Pd1 |
[
"C",
"La",
"Rb"
] | 4 | A2BC | CLa2Rb | Rb1 La2 C1 | 3 | [
1,
1,
1
] | 3 | [
[
3.82491766,
0,
0
],
[
1.91245883,
3.31247586,
0
],
[
1.91245883,
1.10415862,
11.47267208
]
] | agm002004290 | [
[
3.82491766,
2.20831724,
5.73633604
],
[
0,
0,
0
],
[
1.9124607615834184,
1.1041597352002062,
7.153583330088996
],
[
5.737374558416581,
3.3124747447997938,
4.319088749911004
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}] | [
"C",
"Rb",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-0.05806954,
0,
0
],
[
0,
-0.05806954,
0
],
[
0,
0,
0.0877275
]
] | -19.845098 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00447632
],
[
0,
0,
0.00447632
]
] | 0.000766 | 3.456333 | pbe | true | 3d95947a573dfb6431888cbdabf7403e_166_Rb1La2C1 |
[
"H",
"O",
"Re",
"Tl"
] | 10 | A6B2CD | HO6ReTl2 | Tl2 Re1 H1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
6.22018889,
-0.55923689,
-0.54310417
],
[
-0.52089743,
6.50122912,
0.17495501
],
[
-3.28783562,
-2.85583281,
4.67100829
]
] | agm004984243 | [
[
2.8210202612510753,
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2.474809288204796
],
[
-0.8033448293927933,
4.078568794563166,
3.012896058014445
],
[
5.426863319921578,
5.830078488701269,
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],
[
4.2487632889774805,
2.1178546189421392,
0.654593897067842
],
[
1.0860574266934422,
2.3078474886236138,
3.198320357323053
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[
3.9125877294838305,
2.6244936254202242,
1.4647557606086903
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[
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4.373120567895129
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[
1.2280903585158207,
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3.97398605745884
],
[
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1.8070409639209464
],
[
0.2868342929561151,
4.98865553775957,
0.5733540342814559
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}] | [
"Tl",
"Tl",
"Re",
"H",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.1,
0.2
] | [
[
1.0618,
-0.59254456,
-0.19043642
],
[
-0.5925444,
1.7576027,
0.17573671
],
[
-0.1904364,
0.17573702,
0.7066373
]
] | -61.514249 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00026973,
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[
0.003211,
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0.00031603
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[
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[
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[
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[
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[
0.00084586,
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[
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],
[
0.00022987,
-0.00032569,
0.00147795
],
[
0.00136426,
-0.00306508,
0.0026998
]
] | 0 | 0 | pbe | true | 1d48a500261f8f459e2c5eb066caf852_1_Tl2Re1H1O6 |
[
"Cr",
"Fe",
"Ge"
] | 5 | A3BC | CrFe3Ge | Cr1 Fe3 Ge1 | 3 | [
1,
1,
1
] | 3 | [
[
4.24564624,
0,
0
],
[
0,
4.24564624,
0
],
[
0,
0,
4.24564624
]
] | agm002458364 | [
[
0,
0,
0
],
[
2.12282312,
2.12282312,
2.12282312
],
[
0,
2.12282312,
0
],
[
0,
0,
2.12282312
],
[
2.12282312,
0,
0
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}] | [
"Cr",
"Ge",
"Fe",
"Fe",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
8.298083,
0,
0
],
[
0,
8.298083,
0
],
[
0,
0,
8.298083
]
] | -34.043223 | [
-0.989,
-0.007,
1.965,
2.161,
1.728
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
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] | 4.867489 | 6.350054 | pbe | true | b260b982660035a6476404a59aaaffc8_221_Cr1Fe3Ge1 |
[
"Ag",
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1,
1
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[
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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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1,
1
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[
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1,
1
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] | -0 | -0.000134 | pbe | true | 1553c3eea7913d4a71d8aea76ac8d300_12_Cs2Na2Sn2Se6 |
[
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1,
1
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] | 0.683928 | 9.181186 | pbe | true | 90fdf1b5f1d47e6de33a66084aa30cc7_166_Ba2Pa1Al3Ga12 |
[
"K",
"P",
"Rb",
"S"
] | 11 | A6B2C2D | KP2Rb2S6 | K1 Rb2 P2 S6 | 4 | [
1,
1,
1
] | 3 | [
[
7.05212108,
0,
0
],
[
-3.52606054,
6.22192414,
-0.05405953
],
[
0,
-3.61713792,
8.31625839
]
] | agm004573486 | [
[
3.52606054,
-1.80856896,
4.158129195
],
[
3.526057049200065,
1.710200656651613,
1.6709740493313279
],
[
0.000003490799934355159,
0.8945855633483869,
6.591224810668672
],
[
3.52605701393946,
3.239541771826988,
5.983767874941939
],
[
0.0000035260605400011757,
-0.6347555518269884,
2.278430985058061
],
[
3.52606406606054,
1.3613362348903468,
5.339261662775384
],
[
-1.822183214794802,
4.812655663282104,
1.530427038907931
],
[
1.7038844478474884,
-2.2078694432821053,
6.731771821092068
],
[
5.348243754794802,
-2.2078694432821053,
6.731771821092068
],
[
1.8221760921525108,
4.812655663282104,
1.530427038907931
],
[
-0.0000035260605400292858,
1.2434499851096534,
2.9229371972246154
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"K",
"Rb",
"Rb",
"P",
"P",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.09090909090909091,
0.18181818181818182,
0.18181818181818182,
0.5454545454545454
] | [
[
0.06567789,
0,
0
],
[
0,
0.10275395,
-0.07779016
],
[
0,
-0.07778996,
0.2103961
]
] | -46.254553 | [
0.002,
0.003,
0.003,
0.108,
0.108,
0.048,
0.042,
0.042,
0.042,
0.042,
0.048
] | [
[
0,
0,
0
],
[
0,
0.00007708,
0.00091316
],
[
0,
-0.00007708,
-0.00091316
],
[
0,
-0.00253415,
-0.00135727
],
[
0,
0.00253415,
0.00135727
],
[
0,
0.00158506,
0.00613856
],
[
-0.00401362,
0.00317329,
-0.00216039
],
[
-0.00401362,
-0.00317329,
0.00216039
],
[
0.00401362,
-0.00317329,
0.00216039
],
[
0.00401362,
0.00317329,
-0.00216039
],
[
0,
-0.00158506,
-0.00613856
]
] | 0.985319 | 3.231916 | pbe | true | ba04725dd99dc87069dc813b9680faa6_12_K1Rb2P2S6 |
[
"Fe",
"Hg",
"Si"
] | 4 | A2BC | FeHgSi2 | Fe1 Si2 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
3.64736605,
0,
0
],
[
0,
3.63131398,
-0.33686896
],
[
0,
0.45050214,
4.82848081
]
] | agm004177608 | [
[
0,
1.558663397921989,
1.9812397478574015
],
[
1.823683025,
3.5004016354812744,
3.1835129148378445
],
[
0,
3.2557052250040495,
0.5334597413402167
],
[
1.823683025,
1.4392678244613855,
0.7023363694171086
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"Fe",
"Hg",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
3.9643888,
0,
0
],
[
0,
3.9985633,
-0.01331713
],
[
0,
-0.01331718,
3.907342
]
] | -18.417069 | [
0,
0,
0,
0
] | [
[
0,
0.00068129,
0.00655913
],
[
0,
0.00079212,
-0.00473734
],
[
0,
-0.00241501,
-0.00069707
],
[
0,
0.0009416,
-0.00112472
]
] | 0 | 1.267271 | pbe | true | 25d33ca4360acf0708cae6350c2ca243_99_Fe1Si2Hg1 |
[
"Ba",
"Pm",
"Zn"
] | 4 | A2BC | BaPm2Zn | Ba1 Pm2 Zn1 | 3 | [
1,
1,
1
] | 3 | [
[
3.76099399,
0,
0
],
[
1.88049699,
3.25711634,
0
],
[
1.88049699,
1.08570544,
11.73443513
]
] | agm001956492 | [
[
3.760993985,
2.1714108899999998,
5.867217565
],
[
0,
0,
0
],
[
1.8804988527544126,
1.085706516973171,
7.994473280870113
],
[
5.641489117245587,
3.257115263026829,
3.7399618491298865
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Zn",
"Ba",
"Pm",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.6358628,
0,
0
],
[
0,
0.6358628,
0
],
[
0,
0,
0.9253351
]
] | -12.129716 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00199534
],
[
0,
0,
0.00199534
]
] | 0.000022 | 5.187078 | pbe | true | 9e8f90b012a95d6d1de0d84f5b88c6b0_166_Ba1Pm2Zn1 |
[
"N",
"Ni",
"Sc",
"Se"
] | 5 | A2BCD | NNiScSe2 | Sc1 Ni1 Se2 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.72190897,
0,
0
],
[
0,
3.58076603,
0
],
[
0,
0,
4.72190897
]
] | agm001575436 | [
[
2.360954485,
1.790383015,
2.360954485
],
[
0,
1.790383015,
0
],
[
0,
0,
2.360954485
],
[
2.360954485,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"Sc",
"Ni",
"Se",
"Se",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.44567096,
0,
0
],
[
0,
-1.4483522,
0
],
[
0,
0,
0.44567096
]
] | -27.821677 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.038157 | pbe | true | 947446da578ec0da1e144f37426934e2_123_Sc1Ni1Se2N1 |
[
"Br",
"Hf",
"Pb"
] | 8 | A6BC | Br6HfPb | Hf1 Pb1 Br6 | 3 | [
1,
1,
1
] | 3 | [
[
7.05865945,
0.00960689,
0.00984327
],
[
3.52190984,
6.11721389,
0.01315159
],
[
3.51871075,
2.03324568,
6.41915598
]
] | agm003763206 | [
[
0,
0,
0
],
[
7.04964002,
4.08003323,
3.22107542
],
[
4.49955561317155,
3.9617244023157663,
4.929781575465823
],
[
8.421503082562014,
1.9297083130318986,
4.932703826822256
],
[
5.878447555740588,
1.8182894466891641,
1.5043367132911318
],
[
5.677776957437986,
6.2303581469681015,
1.509447013177744
],
[
9.59972442682845,
4.198342057684234,
1.5123692645341773
],
[
8.220832484259413,
6.3417770133108355,
4.937814126708869
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}] | [
"Hf",
"Pb",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.75,
0.125,
0.125
] | [
[
0.98114145,
-0.02077411,
-0.01281893
],
[
-0.02077416,
1.009024,
0.03431032
],
[
-0.01281889,
0.03431038,
0.9940303
]
] | -33.17634 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00233472,
-0.0063039,
0.00211342
],
[
0.00607969,
0.00075787,
0.00236846
],
[
0.00218274,
-0.00451651,
-0.00149506
],
[
-0.00607969,
-0.00075787,
-0.00236846
],
[
0.00233472,
0.0063039,
-0.00211342
],
[
-0.00218274,
0.00451651,
0.00149506
]
] | 0.000005 | 0 | pbe | true | 3d8a59912f32ea458ac34ba36c1a6839_148_Hf1Pb1Br6 |
[
"Gd",
"La",
"Pm"
] | 4 | A2BC | Gd2LaPm | La1 Pm1 Gd2 | 3 | [
1,
1,
1
] | 3 | [
[
5.79172394,
0,
0
],
[
2.89586197,
5.01578006,
0
],
[
2.89586197,
1.67192669,
4.72892279
]
] | agm001092376 | [
[
2.89586197,
1.6719266875,
1.1822306975
],
[
8.68758591,
5.0157800625,
3.5466920925000003
],
[
0,
0,
0
],
[
5.79172394,
3.343853375,
2.364461395
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}] | [
"Gd",
"Gd",
"La",
"Pm"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.6551541,
0,
0
],
[
0,
1.6551541,
0
],
[
0,
0,
1.6551541
]
] | -37.469959 | [
7.314,
7.314,
0.212,
0.169
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 16.07787 | 7.482788 | pbe | true | bb3a03642749c16cb8cf70ea7361fbfa_225_La1Pm1Gd2 |
[
"Cl",
"Cu"
] | 3 | A2B | Cl2Cu | Cu1 Cl2 | 2 | [
1,
1,
1
] | 3 | [
[
7.23108052,
0.17320646,
-4e-8
],
[
5.80591274,
4.31391971,
-4e-8
],
[
-6.51849907,
-2.24356392,
2.18954839
]
] | agm003930734 | [
[
0,
0,
0
],
[
5.0798614252505505,
1.7484076801014812,
-3.1171981600000004e-8
],
[
1.4386327647494497,
0.49515456989851936,
2.1895483411719816
]
] | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}] | [
"Cu",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.3333333333333333
] | [
[
-1.4073508,
0.21336597,
0.00000226
],
[
0.21336597,
-1.9538317,
7.8e-7
],
[
0.00000226,
7.8e-7,
-2.027256
]
] | -7.796836 | [
0.35,
0.244,
0.244
] | [
[
0,
0,
0
],
[
0.000574,
0.00019756,
0
],
[
-0.000574,
-0.00019756,
0
]
] | 0.910607 | 3.570208 | pbe | true | faf1b3e4771dd680ec62b927a22ce99f_139_Cu1Cl2 |
[
"Cs",
"K"
] | 10 | A4B | Cs4K | Cs8 K2 | 2 | [
1,
1,
1
] | 3 | [
[
8.71616383,
-0.08625655,
0
],
[
-3.04468444,
8.96624687,
0
],
[
0,
0,
14.12524631
]
] | agm003297778 | [
[
7.738538776644671,
2.1502759970706977,
5.743731532982338
],
[
2.84020857415169,
6.05900298925246,
11.842548451541665
],
[
2.8312708158483084,
2.8209873307475406,
2.282697858458334
],
[
-2.067059386644672,
6.729714322929303,
8.381514777017662
],
[
7.1893527308483085,
2.7778590557475407,
11.842548451541665
],
[
3.3804568616446713,
2.1934042720706977,
8.381514777017662
],
[
2.2910225283553287,
6.686586047929303,
5.743731532982338
],
[
-1.5178733408483092,
6.10213126425246,
2.282697858458334
],
[
2.1790409575,
-0.0215641375,
12.643769006632809
],
[
6.5371228724999995,
-0.0646924125,
1.4814773033671913
]
] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}] | [
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"Cs",
"K",
"K"
] | 2023-11-16 06:57:59 | [
0.8,
0.2
] | [
[
0.22717673,
0.0019352,
0
],
[
0.00193521,
0.20879208,
0
],
[
0,
0,
0.25655234
]
] | -8.738029 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00384676,
-0.0004338,
-0.00057923
],
[
0.00081471,
0.0024959,
-0.00104829
],
[
-0.00081471,
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0.00104829
],
[
0.00384676,
0.0004338,
0.00057923
],
[
-0.00081471,
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-0.00104829
],
[
-0.00384676,
-0.0004338,
0.00057923
],
[
0.00384676,
0.0004338,
-0.00057923
],
[
0.00081471,
0.0024959,
0.00104829
],
[
0,
0,
0.00335042
],
[
0,
0,
-0.00335042
]
] | -0.000003 | 10.375414 | pbe | true | a74c2702316f7a63cdb35a31f140dd21_13_Cs8K2 |
[
"Cu",
"I"
] | 6 | AB | CuI | Cu3 I3 | 2 | [
1,
1,
1
] | 3 | [
[
8.44150513,
0,
0
],
[
-4.22075256,
7.31055789,
0
],
[
0,
0,
16.83012475
]
] | agm2000049434 | [
[
4.220752565,
0,
8.91060991454898
],
[
-2.11037628,
3.655278945,
8.91060991454898
],
[
2.1103762849999996,
3.655278945,
8.91060991454898
],
[
-3.887419271816173e-8,
4.873705284368526,
8.339029593621914
],
[
4.220752608874192,
2.4368526056314734,
8.339029593621914
],
[
0,
0,
7.08048531910923
]
] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}] | [
"I",
"I",
"I",
"Cu",
"Cu",
"Cu"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
-0.46935287,
0,
0
],
[
0,
-0.46935287,
0
],
[
0,
0,
-1.3344882
]
] | -13.382197 | [
0.002,
0.002,
0.002,
0.014,
0.014,
-0.13
] | [
[
0,
0,
-0.04135447
],
[
0,
0,
-0.04135447
],
[
0,
0,
-0.04135447
],
[
0,
0,
-0.04800375
],
[
0,
0,
-0.04800375
],
[
0,
0,
0.22007091
]
] | -0.580004 | 8.015984 | pbe | true | 90927739a9fb2bf630bcf439c11167ee_183_Cu3I3 |
[
"Ge",
"Li",
"Tb",
"Zn"
] | 5 | A2BCD | Ge2LiTbZn | Li1 Tb1 Zn1 Ge2 | 4 | [
1,
1,
1
] | 3 | [
[
4.08997148,
0,
0
],
[
0,
4.08997148,
0
],
[
-2.04498574,
-2.04498574,
5.55680163
]
] | agm005016577 | [
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2.0449857400000004,
0,
2.778400815
],
[
0,
0,
0
],
[
0,
2.0449857400000004,
2.778400815
],
[
2.0449857195501426,
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1.2457979727151605
],
[
2.0449857232290364e-8,
2.0449857232290364e-8,
4.311003657284839
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"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": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Li",
"Tb",
"Zn",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
2.0866032,
0,
0
],
[
0,
2.0866032,
0
],
[
0,
0,
2.5173035
]
] | -19.585273 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00405855
],
[
0,
0,
-0.00405855
]
] | -0.000027 | 2.92815 | pbe | true | 99d409ab484b5f615005ddb3ac9c0844_119_Li1Tb1Zn1Ge2 |
[
"Ag",
"Br",
"La"
] | 10 | A2B2C | Ag2BrLa2 | La4 Ag4 Br2 | 3 | [
1,
1,
1
] | 3 | [
[
8.60623511,
0,
0
],
[
0,
8.60623511,
0
],
[
0,
0,
3.89521402
]
] | agm002963611 | [
[
0,
0,
0
],
[
4.303117555,
4.303117555,
0
],
[
3.2705213279120424,
7.573638882912043,
0
],
[
7.573638882912043,
5.335713782087957,
0
],
[
5.335713782087957,
1.0325962270879574,
0
],
[
1.0325962270879574,
3.2705213279120424,
0
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[
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[
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1.94760701
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[
7.13475350993311,
2.8316359549331094,
1.94760701
],
[
2.8316359549331094,
1.4714816000668907,
1.94760701
]
] | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}] | [
"Br",
"Br",
"Ag",
"Ag",
"Ag",
"Ag",
"La",
"La",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
2.0617683,
0,
0
],
[
0,
2.0617683,
0
],
[
0,
0,
2.5649447
]
] | -38.889881 | [
0,
0,
0,
0,
0,
0,
0,
0,
-0.001,
0.001
] | [
[
0,
0,
0
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[
0,
0,
0
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[
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0
],
[
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0
],
[
0.00386986,
0.00386986,
0
],
[
0.00386986,
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0
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[
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0
],
[
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0
],
[
0.01574796,
0.01574796,
0
],
[
0.01574796,
-0.01574796,
0
]
] | 0.000046 | 10.646753 | pbe | true | 6cb139d75e8a50fc218b66e1c8eee2ee_127_La4Ag4Br2 |
[
"As",
"Be",
"Mo"
] | 6 | A3B2C | As3Be2Mo | Be2 Mo1 As3 | 3 | [
1,
1,
1
] | 3 | [
[
8.04851719,
1.68918102,
0
],
[
1.2481525,
2.84418387,
0
],
[
0,
0,
18.54189398
]
] | agm2000051857 | [
[
5.557496292583679,
3.68734461453373,
10.969235030902523
],
[
5.557495672813968,
3.6873427027222903,
7.572660061611118
],
[
4.078435768917921,
2.64075335758631,
9.270946619162121
],
[
2.362917295778322,
1.695818568539808,
11.041893482071488
],
[
2.3629165163277506,
1.6958169589050307,
7.499999385414872
],
[
6.754309077581506,
3.161733622990049,
9.27094736083788
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}] | [
"Be",
"Be",
"Mo",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.5,
0.3333333333333333,
0.16666666666666666
] | [
[
0.05554284,
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0
],
[
-0.00846518,
0.00963541,
0
],
[
0,
0,
-0.18457255
]
] | -29.603043 | [
0,
0,
0,
0,
0,
0
] | [
[
-0.00248352,
0.00286945,
0.00667392
],
[
-0.00248352,
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[
-0.00309212,
0.00149138,
0
],
[
0.00228511,
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-0.00192705
],
[
0.00228511,
-0.00170188,
0.00192705
],
[
0.00348894,
-0.00382651,
0
]
] | 0 | 1.164172 | pbe | true | ee51febde88e9b8018145dc1255beadc_6_Be2Mo1As3 |