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{
"id": "mp-1186528",
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{
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"formula_full": "Mg14 Sn1 Bi1 O16",
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"updated_at": "2021-11-28T01:34:32.600000Z",
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},
{
"id": "mp-1378723",
"created_at": "2022-09-04T14:39:36.335265Z",
"structure_string": "Ta2 Zn4 Bi2 O12\n1.0\n8.091061 0.000000 0.000000\n0.000000 5.532032 0.000000\n0.000000 0.271248 5.608325\nTa Zn Bi O\n2 4 2 12\ndirect\n0.000000 0.500000 0.000000 Ta\n0.500000 0.500000 0.000000 Ta\n0.250000 0.982715 0.975713 Zn\n0.250000 0.480346 0.516874 Zn\n0.750000 0.519654 0.483126 Zn\n0.750000 0.017285 0.024287 Zn\n0.000000 0.000000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.571778 0.819752 0.875044 O\n0.427584 0.633865 0.306735 O\n0.428222 0.180248 0.124956 O\n0.927584 0.366135 0.693265 O\n0.750000 0.406012 0.124332 O\n0.572416 0.366135 0.693265 O\n0.072416 0.633865 0.306735 O\n0.928222 0.819752 0.875044 O\n0.250000 0.129610 0.638072 O\n0.071778 0.180248 0.124956 O\n0.750000 0.870390 0.361928 O\n0.250000 0.593988 0.875668 O\n",
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"formula_full": "Ta2 Zn4 Bi2 O12",
"formula_reduced": "TaZn2BiO6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 11
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{
"id": "mp-637256",
"created_at": "2022-09-04T14:39:36.339618Z",
"structure_string": "K4 C8 N12\n1.0\n4.034388 0.000000 0.000000\n0.000000 8.553939 0.000000\n0.000000 0.000000 12.736782\nK C N\n4 8 12\ndirect\n0.250000 0.624463 0.369472 K\n0.750000 0.375537 0.630528 K\n0.750000 0.875537 0.869472 K\n0.250000 0.124463 0.130528 K\n0.750000 0.261345 0.373611 C\n0.250000 0.011461 0.627849 C\n0.250000 0.738655 0.626389 C\n0.750000 0.761345 0.126389 C\n0.250000 0.511461 0.872151 C\n0.250000 0.238655 0.873611 C\n0.750000 0.488539 0.127849 C\n0.750000 0.988539 0.372151 C\n0.750000 0.392442 0.404020 N\n0.250000 0.644965 0.896397 N\n0.250000 0.107558 0.904020 N\n0.750000 0.892442 0.095980 N\n0.750000 0.125761 0.328217 N\n0.750000 0.625761 0.171783 N\n0.250000 0.144965 0.603603 N\n0.250000 0.874239 0.671783 N\n0.250000 0.374239 0.828217 N\n0.750000 0.855035 0.396397 N\n0.750000 0.355035 0.103603 N\n0.250000 0.607558 0.595980 N\n",
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"elements": [
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"density": 1.5888127177648703,
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"updated_at": "2021-11-28T01:34:28.560000Z",
"spacegroup": 62
},
{
"id": "mp-1233149",
"created_at": "2022-09-04T14:39:36.349657Z",
"structure_string": "Hf8 Mg1 N8 O4\n1.0\n5.413280 -0.071618 0.132006\n2.754632 -4.899064 0.565339\n2.479758 2.585969 -10.617101\nHf Mg N O\n8 1 8 4\ndirect\n0.191025 0.314387 0.313232 Hf\n0.104059 0.011685 0.780714 Hf\n0.366687 0.445982 0.931844 Hf\n0.623958 0.206557 0.545677 Hf\n0.370467 0.788169 0.480936 Hf\n0.885225 0.942759 0.244892 Hf\n0.629983 0.837084 0.015797 Hf\n0.835326 0.625308 0.714751 Hf\n0.855227 0.306060 0.084176 Mg\n0.480043 0.036151 0.390396 N\n0.579661 0.181916 0.162960 N\n0.237592 0.613215 0.630456 N\n0.763691 0.362329 0.401644 N\n0.403634 0.767454 0.873562 N\n0.001133 0.588694 0.094280 N\n0.937715 0.200715 0.633308 N\n0.728902 0.014251 0.872350 N\n0.185309 0.039847 0.157058 O\n0.092290 0.737396 0.383429 O\n0.068853 0.423039 0.840201 O\n0.561556 0.897384 0.623610 O\n",
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{
"id": "mp-1225924",
"created_at": "2022-09-04T14:39:36.353904Z",
"structure_string": "Cs1 Ba2 Zn2 F9\n1.0\n7.374473 -3.001672 0.000000\n7.374473 3.001672 0.000000\n6.152686 0.000000 5.053448\nCs Ba Zn F\n1 2 2 9\ndirect\n0.214647 0.214647 0.214647 Cs\n0.999262 0.999262 0.999262 Ba\n0.792351 0.792351 0.792351 Ba\n0.390703 0.390703 0.390703 Zn\n0.604232 0.604232 0.604232 Zn\n0.265340 0.772307 0.265340 F\n0.772307 0.265340 0.265340 F\n0.265340 0.265340 0.772307 F\n0.734552 0.218021 0.734552 F\n0.218021 0.734552 0.734552 F\n0.734552 0.734552 0.218021 F\n0.988263 0.510214 0.510214 F\n0.510214 0.510214 0.988263 F\n0.510214 0.988263 0.510214 F\n",
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{
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"structure_string": "Li2 Al1 Cu1 F6\n1.0\n0.000000 3.974458 3.974458\n3.974458 0.000000 3.974458\n3.974458 3.974458 0.000000\nLi Al Cu F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Cu\n0.771956 0.228044 0.228044 F\n0.228044 0.228044 0.771956 F\n0.228044 0.771956 0.771956 F\n0.228044 0.771956 0.228044 F\n0.771956 0.228044 0.771956 F\n0.771956 0.771956 0.228044 F\n",
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{
"id": "mp-1179450",
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"structure_string": "Sn12 O16\n1.0\n8.644053 0.000000 0.000000\n0.000000 8.644053 0.000000\n0.000000 0.000000 7.408233\nSn O\n12 16\ndirect\n0.656211 0.736356 0.500000 Sn\n0.843789 0.236356 0.000000 Sn\n0.343789 0.263644 0.500000 Sn\n0.156211 0.763644 0.000000 Sn\n0.263644 0.656211 0.500000 Sn\n0.763644 0.843789 0.000000 Sn\n0.736356 0.343789 0.500000 Sn\n0.236356 0.156211 0.000000 Sn\n0.500000 0.500000 0.807650 Sn\n0.000000 0.000000 0.692350 Sn\n0.500000 0.500000 0.192350 Sn\n0.000000 0.000000 0.307650 Sn\n0.713759 0.542548 0.681063 O\n0.786241 0.042548 0.818937 O\n0.286241 0.457452 0.681063 O\n0.213759 0.957452 0.818937 O\n0.457452 0.713759 0.318937 O\n0.957452 0.786241 0.181063 O\n0.542548 0.286241 0.318937 O\n0.042548 0.213759 0.181063 O\n0.457452 0.713759 0.681063 O\n0.042548 0.213759 0.818937 O\n0.542548 0.286241 0.681063 O\n0.957452 0.786241 0.818937 O\n0.286241 0.457452 0.318937 O\n0.786241 0.042548 0.181063 O\n0.713759 0.542548 0.318937 O\n0.213759 0.957452 0.181063 O\n",
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{
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