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{
"id": "mp-1222656",
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{
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{
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{
"id": "mp-1017983",
"created_at": "2022-09-04T14:47:21.750273Z",
"structure_string": "Ti1 Mo3\n1.0\n-1.588482 2.223687 4.489162\n1.588482 -2.223687 4.489162\n1.588482 2.223687 -4.489162\nTi Mo\n1 3\ndirect\n0.500000 0.000000 0.500000 Ti\n0.755968 0.755968 0.000000 Mo\n0.244032 0.244032 0.000000 Mo\n0.000000 0.500000 0.500000 Mo\n",
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{
"id": "mp-1207114",
"created_at": "2022-09-04T14:42:28.922616Z",
"structure_string": "K2 Ta1 Nb1 O6\n1.0\n0.000000 4.044428 4.044428\n4.044428 0.000000 4.044428\n4.044428 4.044428 0.000000\nK Ta Nb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Nb\n0.749028 0.250972 0.250972 O\n0.250972 0.749028 0.749028 O\n0.250972 0.749028 0.250972 O\n0.749028 0.250972 0.749028 O\n0.250972 0.250972 0.749028 O\n0.749028 0.749028 0.250972 O\n",
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"formula_full": "K2 Ta1 Nb1 O6",
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"formula_anonymous": "ABC2D6",
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{
"id": "mp-1017551",
"created_at": "2022-09-04T14:42:23.291567Z",
"structure_string": "Bi2 O3\n1.0\n3.913449 0.000000 0.000000\n0.000000 3.913449 0.000000\n0.000000 0.000000 5.842644\nBi O\n2 3\ndirect\n0.500000 0.000000 0.222518 Bi\n0.000000 0.500000 0.777482 Bi\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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"formula_full": "Bi2 O3",
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"energy": -29.98938741,
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"spacegroup": 115
},
{
"id": "mp-754791",
"created_at": "2022-09-04T14:46:30.058495Z",
"structure_string": "Li6 Mn4 Fe2 B6 O18\n1.0\n0.000163 0.000292 6.343696\n8.261815 -0.016737 3.172053\n4.116315 7.139636 0.000421\nLi Mn Fe B O\n6 4 2 6 18\ndirect\n0.599579 0.300893 0.982820 Li\n0.099550 0.300882 0.982817 Li\n0.391536 0.716893 0.300596 Li\n0.891538 0.716918 0.300563 Li\n0.257597 0.984832 0.714617 Li\n0.757596 0.984821 0.714619 Li\n0.494107 0.011858 0.360545 Mn\n0.185718 0.628389 0.011560 Mn\n0.994114 0.011821 0.360576 Mn\n0.685763 0.628415 0.011516 Mn\n0.320205 0.359443 0.633341 Fe\n0.820180 0.359473 0.633317 Fe\n0.999857 0.000298 0.997530 B\n0.499886 0.000275 0.997541 B\n0.417905 0.664228 0.666730 B\n0.917899 0.664220 0.666713 B\n0.082977 0.334054 0.335852 B\n0.582977 0.334042 0.335880 B\n0.402730 0.194721 0.916601 O\n0.902639 0.194737 0.916558 O\n0.471745 0.556593 0.580093 O\n0.971727 0.556594 0.580044 O\n0.056057 0.887925 0.191275 O\n0.556059 0.887905 0.191283 O\n0.460858 0.578281 0.860429 O\n0.960885 0.578259 0.860407 O\n0.321110 0.857778 0.559763 O\n0.821099 0.857764 0.559756 O\n0.138874 0.222327 0.252695 O\n0.638882 0.222330 0.252701 O\n0.039651 0.920709 0.883472 O\n0.539645 0.920704 0.883473 O\n0.123367 0.253251 0.529379 O\n0.623364 0.253198 0.529421 O\n0.986156 0.527586 0.222745 O\n0.486176 0.527569 0.222779 O\n",
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"formula_full": "Li6 Mn4 Fe2 B6 O18",
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{
"id": "mp-1394400",
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"structure_string": "Y1 Sn1 F5\n1.0\n-2.163933 3.629414 4.473105\n2.163933 -3.629414 4.473105\n2.163933 3.629414 -4.473105\nY Sn F\n1 1 5\ndirect\n0.500000 0.500000 0.000000 Y\n0.000000 0.000000 0.000000 Sn\n0.805330 0.500000 0.305330 F\n0.194670 0.500000 0.694670 F\n0.256584 0.256584 0.000000 F\n0.743416 0.743416 0.000000 F\n0.500000 0.000000 0.500000 F\n",
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"volume": 140.52364431205234,
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{
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{
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{
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]
}