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[
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[
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1
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[
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
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"O",
"O",
"O",
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] | 2014-02-16 03:45:57 | [
0.10714285714285714,
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] | [] | 15.792 | 2.378398 | pbe | true | 6c697daea4cc4b9f44c1ef4e5bc910d0_1_Li4Mn2Fe3Ni3O16 |
[
"Cl",
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1,
1,
1
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0
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"Na",
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] | 0.000048 | 0 | pbe | true | 299d8d43307a87ab1689342e7ffba73d_99_K2Na2Cl4 |
[
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1,
1,
1
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0
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] | 1.268755 | 3.888755 | pbe | true | 1848ac654e4c2ae679df3d5a8d74d63a_225_Ti1Tl2Co1 |
[
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1,
1
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] | 1.095997 | 1.711876 | pbe | true | 44b4d11309c0e34d33e8f1d09e428d9d_166_Ag1Cl3 |
[
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1,
1,
1
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] | -0 | 3.019192 | pbe | true | b9924ded43b18d3e420f620fb84491b8_11_Dy6C2Br6 |
[
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1
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] | 56.999996 | 6.440242 | pbe | true | cf07d6aae0745734d2829bd0af0fea7d_5_Na7Mn4Fe8P12O48 |
[
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1,
1,
1
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
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"O",
"O",
"O",
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] | 2014-02-18 06:56:00 | [
0.027777777777777776,
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4.392,
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] | [] | 18.633 | 2.119853 | pbe | true | 0c0e214f2eb2e8f811bc71a04dfeade6_146_Mn3Fe1Ni2P6O24 |
[
"As",
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1,
1,
1
] | 3 | [
[
2.73565558,
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0
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[
2.73565558,
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],
[
0,
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] | agm005452207 | [
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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Mg",
"As",
"As",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.8333333333333334,
0.16666666666666666
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[
0,
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[
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] | -22.870234 | [
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[
0,
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[
0,
0,
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[
0,
0,
0
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] | -0.000001 | 3.37989 | pbe | true | 79cccef5aaa02069caa4211ed74aa407_191_Mg1As5 |
[
"Au",
"Er",
"Tc"
] | 4 | A2BC | AuEr2Tc | Er2 Tc1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
3.52932308,
0,
0
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[
0,
4.87507511,
0
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[
0,
0,
4.87507511
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] | agm001227556 | [
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0
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[
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[
0,
0,
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[
0,
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] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Au",
"Tc",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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0,
0
],
[
0,
2.8687837,
0
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[
0,
0,
2.8687837
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] | -24.335464 | [
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
]
] | 0.000011 | 4.009373 | pbe | true | 6df00e10005034a1c2e74d4517996046_123_Er2Tc1Au1 |
[
"Bi",
"P",
"Tc"
] | 5 | A3BC | Bi3PTc | Tc1 Bi3 P1 | 3 | [
1,
1,
1
] | 3 | [
[
5.33832497,
0,
0
],
[
0,
5.33832497,
0
],
[
0,
0,
5.33832497
]
] | agm002568715 | [
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0,
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[
0,
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0
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[
0,
0,
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],
[
2.669162485,
0,
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],
[
2.669162485,
2.669162485,
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] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
"Bi",
"Bi",
"Bi",
"Tc"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
-0.03642066,
0,
0
],
[
0,
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0
],
[
0,
0,
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]
] | -21.510077 | [
-0.027,
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3.158
] | [
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.039157 | 2.772853 | pbe | true | 5a4299530ab8ff3c4d78be5ead28339a_221_Tc1Bi3P1 |
[
"Bi",
"Pb",
"Sn"
] | 5 | A3BC | BiPbSn3 | Sn3 Bi1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
5.76359145,
0,
0
],
[
0,
5.76359145,
0
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[
0,
0,
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] | agm002605703 | [
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[
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[
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1
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[
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[
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1
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[
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1
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[
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[
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[
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[
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[
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[
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[
0.05195535,
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[
0.05370971,
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[
0.03640819,
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[
0.0362504,
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[
-0.03935515,
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[
-0.03710879,
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[
-0.03959356,
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[
-0.04242918,
0.09319732,
0.07637651
],
[
-0.04264322,
0.0932372,
0.07618159
]
] | 0 | 0.957691 | pbe | true | 9cd94646de34321d992712d506fa796f_1_K8Rb2Hg15Ge10S40 |
[
"Al",
"Mo",
"Y"
] | 4 | A2BC | Al2MoY | Y1 Al2 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
4.21895175,
0,
0
],
[
0,
4.14331096,
0
],
[
0,
0,
4.3337419
]
] | agm003840185 | [
[
0,
2.07165548,
2.16687095
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[
2.109475875,
0,
2.16687095
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[
0,
0,
0
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[
2.109475875,
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0
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Y",
"Mo",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.7230158,
0,
0
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[
0,
2.5981395,
0
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[
0,
0,
2.7121894
]
] | -24.860527 | [
0.008,
0.466,
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-0.006
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[
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0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.527688 | 2.975118 | pbe | true | 2744467d6e2f40e464ba54019ebf0813_47_Y1Al2Mo1 |
[
"H",
"Pd",
"S"
] | 4 | A2BC | HPd2S | H1 Pd2 S1 | 3 | [
1,
1,
1
] | 3 | [
[
3.24913599,
0,
0
],
[
1.624568,
2.81383431,
0
],
[
1.62456799,
0.93794477,
5.56694461
]
] | agm005112736 | [
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4.8737023754741555,
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"H",
"Pd",
"Pd",
"S"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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0,
0
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[
0,
8.279047,
0
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[
0,
0,
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] | -17.836966 | [
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0,
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0
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[
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[
0,
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[
0,
0,
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[
0,
0,
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]
] | 0 | 2.109804 | pbe | true | a7f7ef2495bd55bff39b1e55cb9dfda5_160_H1Pd2S1 |
[
"H",
"Pd",
"Sb"
] | 10 | A2B2C | H2Pd2Sb | Sb2 Pd4 H4 | 3 | [
1,
1,
1
] | 3 | [
[
7.02929509,
0,
0
],
[
0,
7.02929509,
0
],
[
0,
0,
2.89777689
]
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0,
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0
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0
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] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Sb",
"Sb",
"Pd",
"Pd",
"Pd",
"Pd",
"H",
"H",
"H",
"H"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
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0,
0
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[
0,
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],
[
0,
0,
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] | -40.740563 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0
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[
0.00031861,
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0
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[
0.00031861,
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0
]
] | 0 | 1.599776 | pbe | true | 420bcc36d7db64fc1cf3126eb38a114b_127_Sb2Pd4H4 |
[
"H",
"Pd",
"Sc"
] | 10 | A3BC | HPd3Sc | Sc2 H2 Pd6 | 3 | [
1,
1,
1
] | 3 | [
[
3.92291179,
-2.26489418,
0
],
[
0,
4.52978836,
0
],
[
0,
0,
7.95200893
]
] | agm003078960 | [
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[
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] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Sc",
"Sc",
"H",
"H",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
6.89086,
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0
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[
0,
6.89086,
0
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[
0,
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0,
0,
0.001,
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0.001
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[
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[
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[
0,
0,
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[
0,
0,
0.00539502
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[
0,
0,
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] | 0 | 2.718869 | pbe | true | 99cae8a6da07544b0abce07e21567836_194_Sc2H2Pd6 |
[
"H",
"Pd",
"Sr"
] | 4 | A2BC | H2PdSr | Sr1 H2 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
3.72152411,
-0.16171328,
0.87226902
],
[
-0.01145767,
3.75189496,
0.7392791
],
[
-0.87160073,
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3.57114563
]
] | agm003612703 | [
[
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0.09103163622194578,
0.8951160653393381
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-0.5154416094397865,
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3.1169460218035905
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[
1.3453491455500053,
1.5326109871948295,
3.486653236003163
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] | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"H",
"H",
"Pd"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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[
0.05171007,
8.570515,
0.00026029
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[
0.16165829,
0.00026046,
8.815419
]
] | -15.764864 | [
0,
0,
0,
0
] | [
[
0.00024333,
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[
0.0004634,
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[
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0.00045814,
0.000035
],
[
-0.00027573,
0.0007197,
-0.00137351
]
] | 0.000082 | 0.927452 | pbe | true | f9140e585dfdfb11409211116a732b2f_123_Sr1H2Pd1 |
[
"Ni",
"P",
"Zr"
] | 4 | A2BC | NiP2Zr | Zr1 Ni1 P2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.10448083,
3.10448083
],
[
3.10448083,
0,
3.10448083
],
[
3.10448083,
3.10448083,
0
]
] | agm002723864 | [
[
0,
0,
0
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[
3.10448083,
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[
1.552240415,
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[
4.656721245,
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Ni",
"Zr",
"P",
"P"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
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[
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[
0,
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[
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] | -26.6794 | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 1.996739 | pbe | true | f899376ef3a30cc72425dbeef3775111_225_Zr1Ni1P2 |
[
"Ge",
"Na",
"O",
"Si",
"Ta"
] | 117 | A24B6C5D3E | GeNa5O24Si6Ta3 | Ge3 Na15 O72 Si18 Ta9 | 5 | [
1,
1,
1
] | 3 | [
[
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[
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[
0.0293134,
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] | mp-2713392 | [
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]
] | 0 | 0.369351 | pbe | true | 95d0b96561ca4ed2fe5c8c9fa4575db7_1_Zr6Ge6P12S6O72 |