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"structure_string": "Mg4 Ga4 B4 O16\n1.0\n3.113641 0.000000 0.000000\n0.000000 9.315585 0.000000\n0.000000 0.000000 9.400299\nMg Ga B O\n4 4 4 16\ndirect\n0.250000 0.603926 0.187348 Mg\n0.750000 0.396074 0.812652 Mg\n0.750000 0.896074 0.687348 Mg\n0.250000 0.103926 0.312652 Mg\n0.250000 0.615417 0.570202 Ga\n0.750000 0.384583 0.429798 Ga\n0.750000 0.884583 0.070202 Ga\n0.250000 0.115417 0.929798 Ga\n0.250000 0.663710 0.872944 B\n0.750000 0.336290 0.127056 B\n0.750000 0.836290 0.372944 B\n0.250000 0.163710 0.627056 B\n0.250000 0.008018 0.114409 O\n0.750000 0.991982 0.885591 O\n0.750000 0.491982 0.614409 O\n0.250000 0.508018 0.385591 O\n0.250000 0.520012 0.870764 O\n0.750000 0.479988 0.129236 O\n0.750000 0.979988 0.370764 O\n0.250000 0.020012 0.629236 O\n0.250000 0.740840 0.003119 O\n0.750000 0.259160 0.996881 O\n0.750000 0.759160 0.503119 O\n0.250000 0.240840 0.496881 O\n0.250000 0.741592 0.743999 O\n0.750000 0.258408 0.256001 O\n0.750000 0.758408 0.243999 O\n0.250000 0.241592 0.756001 O\n",
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"formula_full": "Mg4 Ga4 B4 O16",
"formula_reduced": "MgGaBO4",
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"updated_at": "2021-11-28T01:39:19.242000Z",
"spacegroup": 62
},
{
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"created_at": "2022-09-04T14:48:26.680189Z",
"structure_string": "Zn2 Bi4 O8\n1.0\n1.657069 -5.657134 0.000000\n1.657069 5.657134 0.000000\n0.000000 0.000000 11.200120\nZn Bi O\n2 4 8\ndirect\n0.604060 0.395940 0.750000 Zn\n0.395940 0.604060 0.250000 Zn\n0.132602 0.867398 0.076790 Bi\n0.867398 0.132602 0.923210 Bi\n0.132602 0.867398 0.423210 Bi\n0.867398 0.132602 0.576790 Bi\n0.778859 0.221141 0.382604 O\n0.221141 0.778859 0.617396 O\n0.221141 0.778859 0.882604 O\n0.778859 0.221141 0.117396 O\n0.998131 0.001869 0.250000 O\n0.001869 0.998131 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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"chemical_system": "Bi-O-Zn",
"density": 8.657017415615362,
"density_atomic": 0.06667120515331462,
"volume": 209.98570474024163,
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"formula_full": "Zn2 Bi4 O8",
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"energy_uncorrected": -71.72447448,
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"updated_at": "2021-11-28T01:39:45.535000Z",
"spacegroup": 63
},
{
"id": "mp-1377924",
"created_at": "2022-09-04T14:48:26.676696Z",
"structure_string": "Ta2 Zn4 Ag2 O12\n1.0\n7.519894 0.000000 0.000000\n0.000000 5.621094 0.000000\n0.000000 1.281751 5.548530\nTa Zn Ag O\n2 4 2 12\ndirect\n0.000000 0.000000 0.500000 Ta\n0.500000 0.000000 0.500000 Ta\n0.750000 0.965921 0.054996 Zn\n0.750000 0.477165 0.541079 Zn\n0.250000 0.522835 0.458921 Zn\n0.250000 0.034079 0.945004 Zn\n0.000000 0.500000 0.000000 Ag\n0.500000 0.500000 0.000000 Ag\n0.437954 0.154099 0.156810 O\n0.576373 0.723403 0.370287 O\n0.562046 0.845901 0.843190 O\n0.076373 0.276597 0.629713 O\n0.250000 0.853754 0.549327 O\n0.423627 0.276597 0.629713 O\n0.923627 0.723403 0.370287 O\n0.062046 0.154099 0.156810 O\n0.750000 0.358896 0.907814 O\n0.937954 0.845901 0.843190 O\n0.250000 0.641104 0.092186 O\n0.750000 0.146246 0.450673 O\n",
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"elements": [
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"formula_full": "Ta2 Zn4 Ag2 O12",
"formula_reduced": "TaZn2AgO6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:39:14.330000Z",
"spacegroup": 11
}
]
}