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{
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{
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{
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{
"id": "mp-1103824",
"created_at": "2022-09-04T14:46:58.012149Z",
"structure_string": "Tm2 Ga12\n1.0\n6.017156 0.000000 0.000000\n0.000000 6.017156 0.000000\n0.000000 0.000000 7.542076\nTm Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Tm\n0.000000 0.500000 0.000000 Tm\n0.500000 0.500000 0.160053 Ga\n0.000000 0.000000 0.160053 Ga\n0.000000 0.000000 0.839947 Ga\n0.500000 0.500000 0.839947 Ga\n0.808298 0.691702 0.347148 Ga\n0.308298 0.808298 0.347148 Ga\n0.691702 0.191702 0.347148 Ga\n0.191702 0.308298 0.347148 Ga\n0.691702 0.808298 0.652852 Ga\n0.191702 0.691702 0.652852 Ga\n0.808298 0.308298 0.652852 Ga\n0.308298 0.191702 0.652852 Ga\n",
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{
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"structure_string": "Cu6 Re6 O24\n1.0\n7.026080 0.000000 0.000000\n-1.743918 8.435879 0.000000\n-2.884162 -1.910327 9.540326\nCu Re O\n6 6 24\ndirect\n0.958306 0.795970 0.018944 Cu\n0.465952 0.388223 0.232513 Cu\n0.750016 0.195086 0.411606 Cu\n0.249984 0.804914 0.588394 Cu\n0.534048 0.611777 0.767487 Cu\n0.041694 0.204030 0.981056 Cu\n0.498862 0.777218 0.107626 Re\n0.996143 0.469688 0.253023 Re\n0.200039 0.087691 0.345555 Re\n0.799961 0.912309 0.654445 Re\n0.003857 0.530312 0.746977 Re\n0.501138 0.222782 0.892374 Re\n0.243731 0.770267 0.011215 O\n0.937914 0.605797 0.141384 O\n0.354802 0.216072 0.009698 O\n0.502924 0.602095 0.182529 O\n0.595185 0.951510 0.239301 O\n0.068032 0.992690 0.168061 O\n0.762837 0.361509 0.273168 O\n0.139427 0.346100 0.185487 O\n0.441036 0.222026 0.362890 O\n0.250425 0.936754 0.442801 O\n0.955560 0.808895 0.586979 O\n0.155715 0.581376 0.416845 O\n0.844285 0.418624 0.583155 O\n0.044440 0.191105 0.413021 O\n0.749575 0.063246 0.557199 O\n0.558964 0.777974 0.637110 O\n0.860573 0.653900 0.814513 O\n0.237163 0.638491 0.726832 O\n0.931968 0.007310 0.831939 O\n0.404815 0.048490 0.760699 O\n0.497076 0.397905 0.817471 O\n0.645198 0.783928 0.990302 O\n0.062086 0.394203 0.858616 O\n0.756269 0.229733 0.988785 O\n",
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{
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"structure_string": "Li8 Ti14 O32\n1.0\n5.993880 0.000000 0.000000\n0.000000 8.471722 0.000000\n0.000000 0.000000 11.796512\nLi Ti O\n8 14 32\ndirect\n0.500000 0.384361 0.872921 Li\n0.000000 0.877062 0.128566 Li\n0.500000 0.377062 0.371434 Li\n0.500000 0.615639 0.127079 Li\n0.000000 0.115639 0.372921 Li\n0.000000 0.884361 0.627079 Li\n0.500000 0.622938 0.628566 Li\n0.000000 0.122938 0.871434 Li\n0.260836 0.761988 0.881557 Ti\n0.739164 0.761988 0.881557 Ti\n0.739164 0.238012 0.118443 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.485731 0.258765 Ti\n0.260836 0.238012 0.118443 Ti\n0.239164 0.738012 0.381557 Ti\n0.500000 0.985731 0.241235 Ti\n0.500000 0.000000 0.500000 Ti\n0.760836 0.738012 0.381557 Ti\n0.760836 0.261988 0.618443 Ti\n0.000000 0.514269 0.741235 Ti\n0.239164 0.261988 0.618443 Ti\n0.500000 0.014269 0.758765 Ti\n0.500000 0.740733 0.983105 O\n0.782468 0.514096 0.876486 O\n0.782468 0.485904 0.123514 O\n0.000000 0.739044 0.988873 O\n0.000000 0.265551 0.240273 O\n0.000000 0.260956 0.011127 O\n0.258466 0.020690 0.139168 O\n0.282468 0.985904 0.376486 O\n0.217532 0.514096 0.876486 O\n0.217532 0.485904 0.123514 O\n0.500000 0.239233 0.234459 O\n0.500000 0.259267 0.016895 O\n0.500000 0.765551 0.259727 O\n0.500000 0.760956 0.488873 O\n0.758466 0.520690 0.360832 O\n0.758466 0.479310 0.639168 O\n0.741534 0.020690 0.139168 O\n0.717532 0.985904 0.376486 O\n0.000000 0.759267 0.483105 O\n0.000000 0.739233 0.265541 O\n0.000000 0.240733 0.516895 O\n0.000000 0.260767 0.734459 O\n0.241534 0.520690 0.360832 O\n0.282468 0.014096 0.623514 O\n0.258466 0.979310 0.860832 O\n0.241534 0.479310 0.639168 O\n0.500000 0.234449 0.740273 O\n0.500000 0.239044 0.511127 O\n0.500000 0.760767 0.765541 O\n0.717532 0.014096 0.623514 O\n0.741534 0.979310 0.860832 O\n0.000000 0.734449 0.759727 O\n",
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"elements": [
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"density": 5.347397590345886,
"density_atomic": 0.06675994492132611,
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"formula_full": "La8 Si4 O20",
"formula_reduced": "La2SiO5",
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{
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"formula_full": "Ce4 Mg2",
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},
{
"id": "mp-7066",
"created_at": "2022-09-04T14:46:57.986594Z",
"structure_string": "Sc4 Ni4 Ge4\n1.0\n4.089778 0.000000 0.000000\n0.000000 6.476874 0.000000\n0.000000 0.000000 7.086984\nSc Ni Ge\n4 4 4\ndirect\n0.250000 0.995140 0.292932 Sc\n0.250000 0.495140 0.207068 Sc\n0.750000 0.004860 0.707068 Sc\n0.750000 0.504860 0.792932 Sc\n0.250000 0.186889 0.921728 Ni\n0.250000 0.686889 0.578272 Ni\n0.750000 0.813111 0.078272 Ni\n0.750000 0.313111 0.421728 Ni\n0.250000 0.294013 0.593948 Ge\n0.250000 0.794013 0.906052 Ge\n0.750000 0.705987 0.406052 Ge\n0.750000 0.205987 0.093948 Ge\n",
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"volume": 187.72695471525086,
"volume_molar": 9.420984547844887,
"formula_full": "Sc4 Ni4 Ge4",
"formula_reduced": "ScNiGe",
"formula_anonymous": "ABC",
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]
}