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"updated_at": "2021-11-28T01:35:06.281000Z",
"spacegroup": 16
},
{
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"created_at": "2022-09-04T14:42:19.889511Z",
"structure_string": "La2 Mg2 Fe2 Ni2 O12\n1.0\n0.001272 5.310927 0.022522\n-0.024477 0.035414 7.612452\n5.469981 0.001362 -0.017541\nLa Mg Fe Ni O\n2 2 2 2 12\ndirect\n0.989813 0.247301 0.037163 La\n0.494547 0.750184 0.464053 La\n0.526404 0.245536 0.559199 Mg\n0.031286 0.748136 0.939539 Mg\n0.500281 0.501410 0.996156 Fe\n0.999814 0.001509 0.503655 Fe\n0.005933 0.496528 0.497143 Ni\n0.500675 0.996550 0.004994 Ni\n0.635366 0.736008 0.022850 O\n0.129645 0.241039 0.478502 O\n0.183177 0.940000 0.205961 O\n0.675991 0.440086 0.290375 O\n0.206042 0.558589 0.188538 O\n0.700579 0.056629 0.308306 O\n0.928313 0.756747 0.548776 O\n0.418467 0.262724 0.946265 O\n0.280662 0.565417 0.742409 O\n0.771259 0.057114 0.762341 O\n0.262457 0.952509 0.731208 O\n0.759291 0.445979 0.772567 O\n",
"nsites": 20,
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"elements": [
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"Fe",
"Ni",
"O"
],
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"density": 5.612898078515029,
"density_atomic": 0.09044037483613415,
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"formula_full": "La2 Mg2 Fe2 Ni2 O12",
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},
{
"id": "mp-1210016",
"created_at": "2022-09-04T14:48:27.424206Z",
"structure_string": "Na2 Nd2 Mg2 W2 O12\n1.0\n5.589479 0.000000 0.000000\n0.000000 5.541722 0.000000\n0.000000 0.009430 7.949038\nNa Nd Mg W O\n2 2 2 2 12\ndirect\n0.499392 0.747083 0.500834 Na\n0.999392 0.252917 0.499166 Na\n0.443328 0.757946 0.000913 Nd\n0.943328 0.242054 0.999087 Nd\n0.981203 0.749482 0.742877 Mg\n0.481203 0.250518 0.257123 Mg\n0.985007 0.746207 0.262557 W\n0.485007 0.253793 0.737443 W\n0.272974 0.559251 0.279560 O\n0.772974 0.440749 0.720440 O\n0.004953 0.666081 0.006056 O\n0.504953 0.333919 0.993944 O\n0.964472 0.828693 0.488711 O\n0.464472 0.171307 0.511289 O\n0.697579 0.976986 0.806088 O\n0.197579 0.023014 0.193912 O\n0.717982 0.963884 0.193813 O\n0.217982 0.036116 0.806187 O\n0.784711 0.470676 0.276275 O\n0.284711 0.529324 0.723725 O\n",
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"elements": [
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"Mg",
"W",
"O"
],
"chemical_system": "Mg-Na-Nd-O-W",
"density": 6.357894457473221,
"density_atomic": 0.08122680260279226,
"volume": 246.22414472969146,
"volume_molar": 7.413982290364071,
"formula_full": "Na2 Nd2 Mg2 W2 O12",
"formula_reduced": "NaNdMgWO6",
"formula_anonymous": "ABCDE6",
"energy": -158.16503619,
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"band_gap": 3.7945,
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"updated_at": "2021-11-28T01:39:19.155000Z",
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}
]
}