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{
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{
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{
"id": "mp-754420",
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"structure_string": "Li7 Fe1 O5 F1\n1.0\n5.451758 0.000000 0.000000\n-2.445082 4.961587 0.000000\n-2.629342 -1.356055 4.835151\nLi Fe O F\n7 1 5 1\ndirect\n0.593366 0.119363 0.313903 Li\n0.873574 0.755505 0.355831 Li\n0.734267 0.490991 0.685962 Li\n0.199727 0.474462 0.322994 Li\n0.164140 0.233587 0.673070 Li\n0.420787 0.927372 0.650743 Li\n0.303209 0.663472 0.964052 Li\n0.946705 0.957990 0.973498 Fe\n0.885116 0.083740 0.242328 O\n0.862920 0.217037 0.768293 O\n0.499487 0.623285 0.755754 O\n0.180486 0.806944 0.238060 O\n0.103394 0.878642 0.761099 O\n0.512522 0.425501 0.279585 F\n",
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"elements": [
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"formula_full": "Li7 Fe1 O5 F1",
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{
"id": "mp-754031",
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"formula_full": "Y2 Br2 O2",
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{
"id": "mp-1520467",
"created_at": "2022-09-04T14:42:00.442016Z",
"structure_string": "Na1 Mn1 Bi1 W1 O6\n1.0\n-0.000000 -4.028757 -4.028757\n4.028757 0.000000 -4.028757\n4.028757 -4.028757 0.000000\nNa Mn Bi W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n-0.000000 -0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Bi\n0.500000 0.500000 0.500000 W\n0.740070 0.259930 0.259930 O\n0.259930 0.740070 0.740070 O\n0.740070 0.259930 0.740070 O\n0.259930 0.740070 0.259930 O\n0.740070 0.740070 0.259930 O\n0.259930 0.259930 0.740070 O\n",
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"density": 7.1960352854918845,
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"volume": 130.7805667232438,
"volume_molar": 7.875789814799462,
"formula_full": "Na1 Mn1 Bi1 W1 O6",
"formula_reduced": "NaMnBiWO6",
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"updated_at": "2021-11-28T01:35:32.687000Z",
"spacegroup": 216
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{
"id": "mp-1220384",
"created_at": "2022-09-04T14:39:34.435071Z",
"structure_string": "Nd2 Ga3 Cu1\n1.0\n2.227656 -3.858413 0.000000\n2.227656 3.858413 0.000000\n0.000000 0.000000 7.607639\nNd Ga Cu\n2 3 1\ndirect\n0.333333 0.666667 0.732118 Nd\n0.333333 0.666667 0.261623 Nd\n0.666667 0.333333 0.482140 Ga\n0.666667 0.333333 0.042276 Ga\n0.000000 0.000000 0.954553 Ga\n0.000000 0.000000 0.527290 Cu\n",
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"density": 7.125728237147059,
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"volume": 130.77861414624437,
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"formula_full": "Nd2 Ga3 Cu1",
"formula_reduced": "Nd2Ga3Cu",
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{
"id": "mp-1236602",
"created_at": "2022-09-04T14:45:21.948074Z",
"structure_string": "Li1 Co1 Pt3 O6\n1.0\n3.033957 0.000000 0.000000\n0.000000 6.258864 -1.406102\n0.000000 0.840827 6.697913\nLi Co Pt O\n1 1 3 6\ndirect\n0.500000 0.260403 0.762654 Li\n0.000000 0.476348 0.458919 Co\n0.000000 0.999848 0.019151 Pt\n0.500001 0.516213 0.036869 Pt\n0.500001 0.973069 0.499709 Pt\n0.000000 0.048052 0.716597 O\n0.000000 0.919813 0.301358 O\n0.000000 0.689360 0.944961 O\n0.000000 0.324205 0.110124 O\n0.500001 0.289012 0.488464 O\n0.500001 0.659926 0.504942 O\n",
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"formula_full": "Li1 Co1 Pt3 O6",
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{
"id": "mp-1519428",
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"structure_string": "Sr1 Eu1 Zn1 W1 O6\n1.0\n0.000000 -4.028663 -4.028663\n4.028663 0.000000 -4.028663\n4.028663 -4.028663 -0.000000\nSr Eu Zn W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Eu\n0.000000 -0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 W\n0.741645 0.258355 0.258355 O\n0.258355 0.741645 0.741645 O\n0.741645 0.258355 0.741645 O\n0.258355 0.741645 0.258355 O\n0.741645 0.741645 0.258355 O\n0.258355 0.258355 0.741645 O\n",
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{
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"structure_string": "U3 As2 Se1\n1.0\n2.485561 -4.305118 0.000000\n2.485561 4.305118 0.000000\n0.000000 0.000000 6.110448\nU As Se\n3 2 1\ndirect\n0.000000 0.000000 0.500000 U\n0.666667 0.333333 0.829866 U\n0.333333 0.666667 0.170134 U\n0.666667 0.333333 0.331212 As\n0.333333 0.666667 0.668788 As\n0.000000 0.000000 0.000000 Se\n",
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{
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{
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"structure_string": "Ba1 La1 Mg1 Ru1 O6\n1.0\n-2.832376 2.832376 4.074920\n2.832376 -2.832376 4.074920\n2.832376 2.832376 -4.074920\nBa La Mg Ru O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.000000 La\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Ru\n0.993381 0.493381 0.500000 O\n0.535731 0.522273 0.592774 O\n0.057043 0.464269 0.986542 O\n0.506619 0.006619 0.500000 O\n0.477727 0.070501 0.013458 O\n0.929499 0.942957 0.407226 O\n",
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{
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