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{
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"structure_string": "La2 Zn2 Cr2 Sb2 O12\n1.0\n5.698186 0.000000 0.000000\n0.000000 5.504953 0.000000\n0.000000 5.516028 7.985824\nLa Zn Cr Sb O\n2 2 2 2 12\ndirect\n0.197727 0.736807 0.250053 La\n0.802273 0.736807 0.750053 La\n0.738944 0.255612 0.249805 Zn\n0.261056 0.255612 0.749805 Zn\n0.259645 0.999163 0.499966 Cr\n0.740355 0.999163 0.999966 Cr\n0.265617 0.498913 0.000628 Sb\n0.734383 0.498913 0.500628 Sb\n0.691204 0.154354 0.750391 O\n0.454714 0.744025 0.055967 O\n0.453021 0.356524 0.441658 O\n0.934227 0.623253 0.065007 O\n0.938504 0.242120 0.438715 O\n0.218819 0.889234 0.747809 O\n0.308796 0.154354 0.250391 O\n0.545286 0.744025 0.555967 O\n0.546979 0.356524 0.941658 O\n0.065773 0.623253 0.565007 O\n0.061496 0.242120 0.938715 O\n0.781181 0.889234 0.247809 O\n",
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"formula_full": "Ba1 Ca1 Mn1 W1 O6",
"formula_reduced": "BaCaMnWO6",
"formula_anonymous": "ABCDE6",
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"formation_energy": null,
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"energy_uncorrected": -72.20818466,
"band_gap": 1.8852,
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"updated_at": "2021-11-28T01:39:07.876000Z",
"spacegroup": 216
},
{
"id": "mp-1518805",
"created_at": "2022-09-04T14:48:21.903903Z",
"structure_string": "Nd1 Eu1 Hf1 Cr1 O6\n1.0\n0.000000 -4.003212 -4.003212\n4.003212 -0.000000 -4.003212\n4.003212 -4.003212 0.000000\nNd Eu Hf Cr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Nd\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 -0.000000 Cr\n0.753910 0.246090 0.246090 O\n0.246090 0.753910 0.753910 O\n0.753910 0.246090 0.753910 O\n0.246090 0.753910 0.246090 O\n0.753910 0.753910 0.246090 O\n0.246090 0.246090 0.753910 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Nd",
"Eu",
"Hf",
"Cr",
"O"
],
"chemical_system": "Cr-Eu-Hf-Nd-O",
"density": 8.058684945578795,
"density_atomic": 0.07793709872518853,
"volume": 128.30859967293208,
"volume_molar": 7.726924479488869,
"formula_full": "Nd1 Eu1 Hf1 Cr1 O6",
"formula_reduced": "NdEuHfCrO6",
"formula_anonymous": "ABCDE6",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:39:01.179000Z",
"spacegroup": 216
}
]
}