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{
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{
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"formula_full": "Ba4 Dy4 Nb4 Sn4 O24",
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},
{
"id": "mp-1516788",
"created_at": "2022-09-04T14:40:24.649447Z",
"structure_string": "Ba2 Ca2 Sm2 Bi2 O12\n1.0\n6.039212 -0.007833 0.017043\n-0.003731 6.135581 -0.008887\n0.029777 -0.007426 8.639594\nBa Ca Sm Bi O\n2 2 2 2 12\ndirect\n0.993767 0.037131 0.250484 Ba\n0.006233 0.962869 0.749516 Ba\n0.510367 0.540630 0.252737 Ca\n0.489633 0.459370 0.747263 Ca\n0.500000 -0.000000 -0.000000 Sm\n-0.000000 0.500000 0.500000 Sm\n-0.000000 0.500000 -0.000000 Bi\n0.500000 -0.000000 0.500000 Bi\n0.198014 0.218610 0.958469 O\n0.315032 0.707408 0.561175 O\n0.801986 0.781390 0.041531 O\n0.684968 0.292592 0.438825 O\n0.287472 0.691150 0.934171 O\n0.215644 0.199763 0.533423 O\n0.712528 0.308850 0.065829 O\n0.784356 0.800237 0.466577 O\n0.428980 0.932222 0.260549 O\n0.117101 0.492089 0.238504 O\n0.571020 0.067778 0.739451 O\n0.882899 0.507911 0.761496 O\n",
"nsites": 20,
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"elements": [
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],
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"formula_full": "Ba2 Ca2 Sm2 Bi2 O12",
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},
{
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"structure_string": "La2 Zn2 Fe2 Cu2 O12\n1.0\n5.434365 0.000000 0.000000\n0.000000 5.235966 0.000000\n0.000000 4.946027 7.893119\nLa Zn Fe Cu O\n2 2 2 2 12\ndirect\n0.214216 0.732523 0.253964 La\n0.785784 0.732523 0.753964 La\n0.705035 0.280315 0.248452 Zn\n0.294965 0.280315 0.748452 Zn\n0.745446 0.000114 0.004620 Fe\n0.254554 0.000114 0.504620 Fe\n0.748643 0.490924 0.502837 Cu\n0.251357 0.490924 0.002837 Cu\n0.230497 0.909222 0.735257 O\n0.050210 0.265097 0.935736 O\n0.042183 0.632093 0.556719 O\n0.957817 0.632093 0.056719 O\n0.949790 0.265097 0.435736 O\n0.769503 0.909222 0.235257 O\n0.706763 0.164783 0.764249 O\n0.511409 0.692768 0.561303 O\n0.503774 0.332160 0.936861 O\n0.496226 0.332160 0.436861 O\n0.488591 0.692768 0.061303 O\n0.293237 0.164783 0.264249 O\n",
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],
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"volume_molar": 6.762623035093607,
"formula_full": "La2 Zn2 Fe2 Cu2 O12",
"formula_reduced": "LaZnFeCuO6",
"formula_anonymous": "ABCDE6",
"energy": -134.63067258,
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}
]
}