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{
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{
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"structure_string": "Ca4 Si4 O12\n1.0\n5.101694 0.000000 0.000000\n0.000000 5.115749 0.000000\n0.000000 0.000000 7.206447\nCa Si O\n4 4 12\ndirect\n0.492800 0.998942 0.250000 Ca\n0.507200 0.001058 0.750000 Ca\n0.992800 0.501058 0.250000 Ca\n0.007200 0.498942 0.750000 Ca\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.737891 0.762110 0.481901 O\n0.262109 0.237890 0.981901 O\n0.998764 0.964568 0.750000 O\n0.762109 0.262110 0.518099 O\n0.001236 0.035432 0.250000 O\n0.501236 0.464568 0.250000 O\n0.762109 0.262110 0.981901 O\n0.498764 0.535432 0.750000 O\n0.262109 0.237890 0.518099 O\n0.237891 0.737890 0.481901 O\n0.737891 0.762110 0.018099 O\n0.237891 0.737890 0.018099 O\n",
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{
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{
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"created_at": "2022-09-04T14:39:18.155867Z",
"structure_string": "Y4 Cr4 O12\n1.0\n5.317254 0.000004 -0.000019\n0.000004 5.614676 -0.000011\n-0.000027 -0.000015 7.667365\nY Cr O\n4 4 12\ndirect\n0.018937 0.932555 0.750001 Y\n0.518937 0.567446 0.250001 Y\n0.481063 0.432554 0.749999 Y\n0.981062 0.067446 0.249999 Y\n0.499999 0.000004 0.500003 Cr\n0.000000 0.500004 0.000001 Cr\n0.000002 0.499995 0.499993 Cr\n0.500002 0.999992 0.000004 Cr\n0.111902 0.459143 0.249999 O\n0.611904 0.040859 0.749998 O\n0.388096 0.959142 0.250001 O\n0.888097 0.540858 0.750001 O\n0.693032 0.302360 0.442641 O\n0.193035 0.197639 0.557361 O\n0.806966 0.802361 0.057360 O\n0.306964 0.697638 0.942639 O\n0.306967 0.697641 0.557359 O\n0.806963 0.802361 0.442639 O\n0.193033 0.197640 0.942640 O\n0.693037 0.302363 0.057361 O\n",
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{
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"structure_string": "V2 Ni2 O6\n1.0\n2.491886 3.738626 2.308215\n-0.056764 0.059087 5.497715\n2.585763 -3.661173 -2.305771\nV Ni O\n2 2 6\ndirect\n0.649673 0.053007 0.344002 V\n0.349309 0.941527 0.647251 V\n0.848350 0.449833 0.148872 Ni\n0.146481 0.565423 0.854156 Ni\n0.283120 0.237345 0.078786 O\n0.749258 0.758481 0.959186 O\n0.448905 0.760798 0.254554 O\n0.558436 0.232338 0.716771 O\n0.918427 0.238546 0.439429 O\n0.048040 0.762702 0.556994 O\n",
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"elements": [
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"formula_full": "Cu16 Ge16 O48",
"formula_reduced": "CuGeO3",
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"spacegroup": 55
},
{
"id": "mp-1225284",
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"structure_string": "Fe3 Sn1 Sb1\n1.0\n-2.105602 -3.644936 -0.001059\n-4.211204 0.000000 0.000000\n0.000000 -0.001184 -5.399645\nFe Sn Sb\n3 1 1\ndirect\n0.333477 0.333262 0.338585 Fe\n0.666555 0.666722 0.658129 Fe\n0.999983 0.000009 0.502442 Fe\n0.333232 0.333384 0.821320 Sn\n0.666753 0.666624 0.179525 Sb\n",
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},
{
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"structure_string": "Ca2 Sn2 S6\n1.0\n5.800121 -3.539457 0.000000\n5.800121 3.539457 0.000000\n3.640208 0.000000 5.737425\nCa Sn S\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.859809 0.640191 0.250000 S\n0.250000 0.859809 0.640191 S\n0.640191 0.250000 0.859809 S\n0.750000 0.140191 0.359809 S\n0.359809 0.750000 0.140191 S\n0.140191 0.359809 0.750000 S\n",
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]
}