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{
"id": "mp-1208125",
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"structure_string": "Tm12 Ga20 O48\n1.0\n-6.156306 6.156306 6.156306\n6.156306 -6.156306 6.156306\n6.156306 6.156306 -6.156306\nTm Ga O\n12 20 48\ndirect\n0.250000 0.375000 0.125000 Tm\n0.750000 0.625000 0.875000 Tm\n0.750000 0.125000 0.375000 Tm\n0.125000 0.250000 0.375000 Tm\n0.375000 0.750000 0.125000 Tm\n0.250000 0.875000 0.625000 Tm\n0.875000 0.750000 0.625000 Tm\n0.625000 0.250000 0.875000 Tm\n0.375000 0.125000 0.250000 Tm\n0.625000 0.875000 0.750000 Tm\n0.125000 0.375000 0.750000 Tm\n0.875000 0.625000 0.250000 Tm\n0.250000 0.625000 0.375000 Ga\n0.750000 0.375000 0.625000 Ga\n0.750000 0.875000 0.125000 Ga\n0.375000 0.250000 0.625000 Ga\n0.625000 0.750000 0.375000 Ga\n0.250000 0.125000 0.875000 Ga\n0.125000 0.750000 0.875000 Ga\n0.875000 0.250000 0.125000 Ga\n0.625000 0.375000 0.250000 Ga\n0.375000 0.625000 0.750000 Ga\n0.875000 0.125000 0.750000 Ga\n0.125000 0.875000 0.250000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.469374 0.374559 0.292613 O\n0.530626 0.625441 0.707387 O\n0.581946 0.176760 0.207387 O\n0.918054 0.125441 0.594815 O\n0.292613 0.469374 0.374559 O\n0.323240 0.918054 0.292613 O\n0.418054 0.823240 0.792613 O\n0.081946 0.874559 0.405185 O\n0.707387 0.530626 0.625441 O\n0.676760 0.081946 0.707387 O\n0.030626 0.323240 0.905185 O\n0.207387 0.581946 0.176760 O\n0.125441 0.030626 0.207387 O\n0.969374 0.676760 0.094815 O\n0.792613 0.418054 0.823240 O\n0.874559 0.969374 0.792613 O\n0.594815 0.918054 0.125441 O\n0.176760 0.469374 0.594815 O\n0.405185 0.081946 0.874559 O\n0.823240 0.530626 0.405185 O\n0.905185 0.030626 0.323240 O\n0.374559 0.581946 0.905185 O\n0.094815 0.969374 0.676760 O\n0.625441 0.418054 0.094815 O\n0.374559 0.292613 0.469374 O\n0.581946 0.905185 0.374559 O\n0.625441 0.707387 0.530626 O\n0.418054 0.094815 0.625441 O\n0.125441 0.594815 0.918054 O\n0.030626 0.207387 0.125441 O\n0.874559 0.405185 0.081946 O\n0.969374 0.792613 0.874559 O\n0.323240 0.905185 0.030626 O\n0.918054 0.292613 0.323240 O\n0.676760 0.094815 0.969374 O\n0.081946 0.707387 0.676760 O\n0.176760 0.207387 0.581946 O\n0.469374 0.594815 0.176760 O\n0.823240 0.792613 0.418054 O\n0.530626 0.405185 0.823240 O\n0.292613 0.323240 0.918054 O\n0.707387 0.676760 0.081946 O\n0.207387 0.125441 0.030626 O\n0.792613 0.874559 0.969374 O\n0.905185 0.374559 0.581946 O\n0.094815 0.625441 0.418054 O\n0.594815 0.176760 0.469374 O\n0.405185 0.823240 0.530626 O\n",
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"formula_full": "Tm12 Ga20 O48",
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"spacegroup": 230
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{
"id": "mp-1214143",
"created_at": "2022-09-04T14:41:25.068013Z",
"structure_string": "Ca12 Mn8 O48\n1.0\n-6.410692 6.410692 6.410692\n6.410692 -6.410692 6.410692\n6.410692 6.410692 -6.410692\nCa Mn O\n12 8 48\ndirect\n0.250000 0.375000 0.125000 Ca\n0.750000 0.625000 0.875000 Ca\n0.750000 0.125000 0.375000 Ca\n0.125000 0.250000 0.375000 Ca\n0.375000 0.750000 0.125000 Ca\n0.250000 0.875000 0.625000 Ca\n0.875000 0.750000 0.625000 Ca\n0.625000 0.250000 0.875000 Ca\n0.375000 0.125000 0.250000 Ca\n0.625000 0.875000 0.750000 Ca\n0.125000 0.375000 0.750000 Ca\n0.875000 0.625000 0.250000 Ca\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.456192 0.381958 0.307444 O\n0.543808 0.618042 0.692556 O\n0.574514 0.148748 0.192556 O\n0.925486 0.118042 0.574235 O\n0.307444 0.456192 0.381958 O\n0.351252 0.925486 0.307444 O\n0.425486 0.851252 0.807444 O\n0.074514 0.881958 0.425765 O\n0.692556 0.543808 0.618042 O\n0.648748 0.074514 0.692556 O\n0.043808 0.351252 0.925765 O\n0.192556 0.574514 0.148748 O\n0.118042 0.043808 0.192556 O\n0.956192 0.648748 0.074235 O\n0.807444 0.425486 0.851252 O\n0.881958 0.956192 0.807444 O\n0.574235 0.925486 0.118042 O\n0.148748 0.456192 0.574235 O\n0.425765 0.074514 0.881958 O\n0.851252 0.543808 0.425765 O\n0.925765 0.043808 0.351252 O\n0.381958 0.574514 0.925765 O\n0.074235 0.956192 0.648748 O\n0.618042 0.425486 0.074235 O\n0.381958 0.307444 0.456192 O\n0.574514 0.925765 0.381958 O\n0.618042 0.692556 0.543808 O\n0.425486 0.074235 0.618042 O\n0.118042 0.574235 0.925486 O\n0.043808 0.192556 0.118042 O\n0.881958 0.425765 0.074514 O\n0.956192 0.807444 0.881958 O\n0.351252 0.925765 0.043808 O\n0.925486 0.307444 0.351252 O\n0.648748 0.074235 0.956192 O\n0.074514 0.692556 0.648748 O\n0.148748 0.192556 0.574514 O\n0.456192 0.574235 0.148748 O\n0.851252 0.807444 0.425486 O\n0.543808 0.425765 0.851252 O\n0.307444 0.351252 0.925486 O\n0.692556 0.648748 0.074514 O\n0.192556 0.118042 0.043808 O\n0.807444 0.881958 0.956192 O\n0.925765 0.381958 0.574514 O\n0.074235 0.618042 0.425486 O\n0.574235 0.148748 0.456192 O\n0.425765 0.851252 0.543808 O\n",
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"volume": 1053.8401164179443,
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"formula_full": "Ca12 Mn8 O48",
"formula_reduced": "Ca3Mn2O12",
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"energy": -435.67286883,
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"updated_at": "2021-11-28T01:35:18.206000Z",
"spacegroup": 230
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{
"id": "mp-6239",
"created_at": "2022-09-04T14:41:35.151293Z",
"structure_string": "Mn12 Fe8 Si12 O48\n1.0\n-5.982887 5.982887 5.982887\n5.982887 -5.982887 5.982887\n5.982887 5.982887 -5.982887\nMn Fe Si O\n12 8 12 48\ndirect\n0.875000 0.625000 0.250000 Mn\n0.625000 0.875000 0.750000 Mn\n0.250000 0.875000 0.625000 Mn\n0.750000 0.625000 0.875000 Mn\n0.625000 0.250000 0.875000 Mn\n0.125000 0.250000 0.375000 Mn\n0.125000 0.375000 0.750000 Mn\n0.375000 0.125000 0.250000 Mn\n0.750000 0.125000 0.375000 Mn\n0.250000 0.375000 0.125000 Mn\n0.875000 0.750000 0.625000 Mn\n0.375000 0.750000 0.125000 Mn\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.125000 0.750000 0.875000 Si\n0.250000 0.625000 0.375000 Si\n0.625000 0.750000 0.375000 Si\n0.875000 0.125000 0.750000 Si\n0.375000 0.250000 0.625000 Si\n0.375000 0.625000 0.750000 Si\n0.625000 0.375000 0.250000 Si\n0.250000 0.125000 0.875000 Si\n0.125000 0.875000 0.250000 Si\n0.750000 0.375000 0.625000 Si\n0.875000 0.250000 0.125000 Si\n0.750000 0.875000 0.125000 Si\n0.879368 0.394762 0.087859 O\n0.791509 0.879368 0.984606 O\n0.394762 0.806903 0.515394 O\n0.693097 0.087859 0.708491 O\n0.806903 0.515394 0.394762 O\n0.984606 0.791509 0.879368 O\n0.087859 0.708491 0.693097 O\n0.984606 0.693097 0.105238 O\n0.791509 0.412141 0.806903 O\n0.412141 0.806903 0.791509 O\n0.708491 0.515394 0.620632 O\n0.087859 0.879368 0.394762 O\n0.394762 0.087859 0.879368 O\n0.105238 0.984606 0.693097 O\n0.515394 0.620632 0.708491 O\n0.806903 0.791509 0.412141 O\n0.105238 0.620632 0.412141 O\n0.620632 0.708491 0.515394 O\n0.879368 0.984606 0.791509 O\n0.693097 0.105238 0.984606 O\n0.587859 0.894762 0.379368 O\n0.708491 0.693097 0.087859 O\n0.620632 0.412141 0.105238 O\n0.412141 0.105238 0.620632 O\n0.120632 0.605238 0.912141 O\n0.208491 0.120632 0.015394 O\n0.605238 0.193097 0.484606 O\n0.306903 0.912141 0.291509 O\n0.193097 0.484606 0.605238 O\n0.015394 0.208491 0.120632 O\n0.912141 0.291509 0.306903 O\n0.015394 0.306903 0.894762 O\n0.208491 0.587859 0.193097 O\n0.587859 0.193097 0.208491 O\n0.291509 0.484606 0.379368 O\n0.912141 0.120632 0.605238 O\n0.605238 0.912141 0.120632 O\n0.894762 0.015394 0.306903 O\n0.484606 0.379368 0.291509 O\n0.193097 0.208491 0.587859 O\n0.894762 0.379368 0.587859 O\n0.379368 0.291509 0.484606 O\n0.120632 0.015394 0.208491 O\n0.306903 0.894762 0.015394 O\n0.484606 0.605238 0.193097 O\n0.291509 0.306903 0.912141 O\n0.379368 0.587859 0.894762 O\n0.515394 0.394762 0.806903 O\n",
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{
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"formula_full": "Ho12 Ga20 O48",
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{
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