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{
"id": "mp-1220516",
"created_at": "2022-09-04T14:41:06.676354Z",
"structure_string": "Nd4 Mn2 Cr2 O12\n1.0\n5.775342 0.000000 0.000000\n0.000000 5.536723 0.000000\n0.000000 5.480805 7.645947\nNd Mn Cr O\n4 2 2 12\ndirect\n0.560621 0.735338 0.750236 Nd\n0.060621 0.264662 0.749764 Nd\n0.439379 0.264662 0.249764 Nd\n0.939379 0.735338 0.250236 Nd\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.805025 0.257613 0.950106 O\n0.305025 0.742387 0.549894 O\n0.204874 0.348073 0.453003 O\n0.704874 0.651927 0.046997 O\n0.194975 0.742387 0.049894 O\n0.694975 0.257613 0.450106 O\n0.795126 0.651927 0.546997 O\n0.295126 0.348073 0.953003 O\n0.972082 0.849979 0.743993 O\n0.472082 0.150021 0.756007 O\n0.027918 0.150021 0.256007 O\n0.527918 0.849979 0.243993 O\n",
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{
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"formula_full": "La8 Th4 S20",
"formula_reduced": "La2ThS5",
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"spacegroup": 62
},
{
"id": "mp-31073",
"created_at": "2022-09-04T14:41:06.684950Z",
"structure_string": "Na6 B14 O24\n1.0\n6.718597 0.000000 0.000000\n-1.371595 8.260878 0.000000\n-1.668517 -1.073518 8.718618\nNa B O\n6 14 24\ndirect\n0.765357 0.228467 0.978439 Na\n0.234643 0.771533 0.021561 Na\n0.446139 0.918644 0.710216 Na\n0.553861 0.081356 0.289784 Na\n0.931250 0.271127 0.663820 Na\n0.068750 0.728873 0.336180 Na\n0.774638 0.871092 0.049721 B\n0.225362 0.128908 0.950279 B\n0.786726 0.844442 0.526570 B\n0.213274 0.155558 0.473430 B\n0.400794 0.271684 0.754105 B\n0.599206 0.728316 0.245895 B\n0.339591 0.550162 0.708165 B\n0.660409 0.449838 0.291835 B\n0.901395 0.951286 0.807390 B\n0.098605 0.048714 0.192610 B\n0.686168 0.496998 0.727313 B\n0.313832 0.503002 0.272687 B\n0.009754 0.694867 0.694965 B\n0.990246 0.305133 0.305035 B\n0.279014 0.402336 0.755476 O\n0.740511 0.920671 0.905332 O\n0.086804 0.268786 0.456452 O\n0.913196 0.731214 0.543548 O\n0.259489 0.079329 0.094668 O\n0.781120 0.957556 0.648639 O\n0.777229 0.331758 0.313467 O\n0.222771 0.668242 0.686533 O\n0.971911 0.881474 0.137694 O\n0.028089 0.118526 0.862306 O\n0.965195 0.167278 0.188274 O\n0.034805 0.832722 0.811726 O\n0.108453 0.457082 0.266649 O\n0.891547 0.542918 0.733351 O\n0.669092 0.852499 0.384215 O\n0.330908 0.147501 0.615785 O\n0.398309 0.187338 0.893729 O\n0.601691 0.812662 0.106271 O\n0.623642 0.341132 0.762565 O\n0.376358 0.658868 0.237435 O\n0.542513 0.595610 0.686583 O\n0.457487 0.404390 0.313417 O\n0.218880 0.042444 0.351361 O\n0.720986 0.597664 0.244524 O\n",
"nsites": 44,
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"density": 2.3104214635907696,
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"formula_full": "Na6 B14 O24",
"formula_reduced": "Na3B7O12",
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"energy": -341.88133508,
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{
"id": "mp-1174037",
"created_at": "2022-09-04T14:41:06.688666Z",
"structure_string": "Li5 Co3 O8\n1.0\n-4.914794 0.000000 0.000000\n0.859412 4.936227 0.000000\n-0.030881 -1.677249 -5.443356\nLi Co O\n5 3 8\ndirect\n0.263727 0.496830 0.119975 Li\n0.743607 0.497205 0.369414 Li\n0.256393 0.502795 0.630586 Li\n0.736273 0.503170 0.880025 Li\n0.500000 0.000000 0.000000 Li\n0.004758 0.998923 0.246370 Co\n0.995242 0.001077 0.753630 Co\n0.500000 0.000000 0.500000 Co\n0.102868 0.776732 0.946603 O\n0.642128 0.773814 0.203935 O\n0.129701 0.783877 0.448137 O\n0.646255 0.778561 0.679027 O\n0.353745 0.221439 0.320973 O\n0.870299 0.216123 0.551863 O\n0.357872 0.226186 0.796065 O\n0.897132 0.223268 0.053397 O\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Co-Li-O",
"density": 4.268953458237364,
"density_atomic": 0.12115819693860912,
"volume": 132.05874967012923,
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"formula_full": "Li5 Co3 O8",
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"updated_at": "2021-11-28T01:34:58.991000Z",
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{
"id": "mp-1520195",
"created_at": "2022-09-04T14:41:06.712550Z",
"structure_string": "Sr2 Gd1 V1 O6\n1.0\n0.000000 -4.132393 -4.132393\n4.132393 0.000000 -4.132393\n4.132393 -4.132393 0.000000\nSr Gd V O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 V\n0.729944 0.270056 0.270056 O\n0.270056 0.729944 0.729944 O\n0.729944 0.270056 0.729944 O\n0.270056 0.729944 0.270056 O\n0.729944 0.729944 0.270056 O\n0.270056 0.270056 0.729944 O\n",
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"volume": 141.13503889901304,
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"formula_full": "Sr2 Gd1 V1 O6",
"formula_reduced": "Sr2GdVO6",
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{
"id": "mp-541037",
"created_at": "2022-09-04T14:41:06.718066Z",
"structure_string": "Cs2 Cu2 O2\n1.0\n3.048106 -5.170768 0.000000\n3.048106 5.170768 0.000000\n0.000000 0.000000 5.046870\nCs Cu O\n2 2 2\ndirect\n0.820540 0.179460 0.750000 Cs\n0.179460 0.820540 0.250000 Cs\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.370424 0.629576 0.750000 O\n0.629576 0.370424 0.250000 O\n",
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"spacegroup": 63
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{
"id": "mp-1216678",
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"structure_string": "Ti1 Mo1 P2\n1.0\n1.619827 -2.805623 0.000000\n1.619827 2.805623 0.000000\n0.000000 0.000000 6.520716\nTi Mo P\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666667 0.249628 P\n0.666667 0.333333 0.750372 P\n",
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]
}