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{
"id": "mp-1043180",
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"structure_string": "Mg1 V4 Cu3 O12\n1.0\n6.005956 -0.022096 -2.135575\n-3.009873 5.204557 -2.100691\n-0.008324 0.028152 6.382687\nMg V Cu O\n1 4 3 12\ndirect\n0.000007 0.000005 0.000007 Mg\n0.000006 0.000007 0.500001 V\n0.000001 0.500003 0.000003 V\n0.499990 0.499994 0.499992 V\n0.500001 0.000003 0.000005 V\n0.499993 0.499996 0.999996 Cu\n0.000004 0.499995 0.499998 Cu\n0.500000 0.000018 0.500009 Cu\n0.825539 0.300725 0.126379 O\n0.174466 0.699269 0.873622 O\n0.821861 0.701389 0.523558 O\n0.293862 0.473856 0.171243 O\n0.479522 0.180606 0.304074 O\n0.124418 0.825742 0.304682 O\n0.696208 0.876027 0.172282 O\n0.520477 0.819397 0.695919 O\n0.178148 0.298604 0.476445 O\n0.706134 0.526143 0.828756 O\n0.875579 0.174259 0.695316 O\n0.303783 0.123964 0.827716 O\n",
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{
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"structure_string": "Mg4 Ni4 Sb4 P8 O36\n1.0\n6.490832 0.000000 0.000000\n0.000000 7.314082 0.000000\n0.000000 0.000000 14.566983\nMg Ni Sb P O\n4 4 4 8 36\ndirect\n0.250000 0.444780 0.303602 Mg\n0.250000 0.055220 0.803602 Mg\n0.750000 0.555220 0.696398 Mg\n0.750000 0.944780 0.196398 Mg\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.250000 0.866359 0.381426 Sb\n0.750000 0.133641 0.618574 Sb\n0.750000 0.366359 0.118574 Sb\n0.250000 0.633641 0.881426 Sb\n0.750000 0.864322 0.418793 P\n0.250000 0.135678 0.581207 P\n0.250000 0.364322 0.081207 P\n0.750000 0.635678 0.918793 P\n0.250000 0.881041 0.187693 P\n0.750000 0.118959 0.812307 P\n0.750000 0.381041 0.312307 P\n0.250000 0.618959 0.687693 P\n0.546411 0.119207 0.868813 O\n0.046411 0.880793 0.131187 O\n0.453589 0.619207 0.631187 O\n0.953589 0.380793 0.368813 O\n0.453589 0.880793 0.131187 O\n0.953589 0.119207 0.868813 O\n0.546411 0.380793 0.368813 O\n0.046411 0.619207 0.631187 O\n0.750000 0.814510 0.974900 O\n0.250000 0.185490 0.025100 O\n0.250000 0.314510 0.525100 O\n0.750000 0.685490 0.474900 O\n0.250000 0.612812 0.430860 O\n0.750000 0.387188 0.569140 O\n0.750000 0.112812 0.069140 O\n0.250000 0.887188 0.930860 O\n0.250000 0.708348 0.253755 O\n0.750000 0.291652 0.746245 O\n0.750000 0.208348 0.246245 O\n0.250000 0.791652 0.753755 O\n0.931995 0.629975 0.848329 O\n0.431995 0.370025 0.151671 O\n0.068005 0.129975 0.651671 O\n0.568005 0.870025 0.348329 O\n0.068005 0.370025 0.151671 O\n0.568005 0.629975 0.848329 O\n0.931995 0.870025 0.348329 O\n0.431995 0.129975 0.651671 O\n0.250000 0.457132 0.757550 O\n0.750000 0.542868 0.242450 O\n0.750000 0.957132 0.742450 O\n0.250000 0.042868 0.257550 O\n0.250000 0.537547 0.023086 O\n0.750000 0.462453 0.976914 O\n0.750000 0.037547 0.476914 O\n0.250000 0.962453 0.523086 O\n",
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"formula_full": "Mg4 Ni4 Sb4 P8 O36",
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"updated_at": "2021-11-28T01:35:00.016000Z",
"spacegroup": 62
},
{
"id": "mp-1043170",
"created_at": "2022-09-04T14:44:20.828592Z",
"structure_string": "Ca4 Co4 Ge8 O24\n1.0\n9.113337 0.000000 0.000000\n0.000000 5.342035 0.000000\n0.000000 2.670292 10.014210\nCa Co Ge O\n4 4 8 24\ndirect\n0.547839 0.193144 0.275801 Ca\n0.047839 0.306856 0.724199 Ca\n0.452161 0.806856 0.724199 Ca\n0.952161 0.693144 0.275801 Ca\n0.336318 0.728002 0.233784 Co\n0.836318 0.771998 0.766216 Co\n0.663682 0.271998 0.766216 Co\n0.163682 0.228002 0.233784 Co\n0.652290 0.781169 0.044568 Ge\n0.152290 0.718831 0.955432 Ge\n0.347710 0.218831 0.955432 Ge\n0.847710 0.281169 0.044568 Ge\n0.649265 0.608310 0.487225 Ge\n0.149265 0.891690 0.512775 Ge\n0.350735 0.391690 0.512775 Ge\n0.850735 0.108310 0.487225 Ge\n0.754258 0.914429 0.394837 O\n0.254258 0.585571 0.605163 O\n0.245742 0.085571 0.605163 O\n0.745742 0.414429 0.394837 O\n0.691244 0.068187 0.102721 O\n0.191244 0.431813 0.897279 O\n0.308756 0.931813 0.897279 O\n0.808756 0.568187 0.102721 O\n0.025401 0.229888 0.416763 O\n0.525401 0.270112 0.583237 O\n0.974599 0.770112 0.583237 O\n0.474599 0.729888 0.416763 O\n0.991635 0.120668 0.139190 O\n0.491635 0.379332 0.860810 O\n0.008365 0.879332 0.860810 O\n0.508365 0.620668 0.139190 O\n0.653207 0.871129 0.869054 O\n0.153207 0.628871 0.130946 O\n0.346793 0.128871 0.130946 O\n0.846793 0.371129 0.869054 O\n0.673080 0.657046 0.649222 O\n0.173080 0.842954 0.350778 O\n0.326920 0.342954 0.350778 O\n0.826920 0.157046 0.649222 O\n",
"nsites": 40,
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"elements": [
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],
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"density": 4.636116625174528,
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"formula_full": "Ca4 Co4 Ge8 O24",
"formula_reduced": "CaCo(GeO3)2",
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"updated_at": "2021-11-28T01:36:34.166000Z",
"spacegroup": 14
},
{
"id": "mp-1043169",
"created_at": "2022-09-04T14:40:18.926992Z",
"structure_string": "Mg2 Co4 O10\n1.0\n1.851798 -5.118302 0.000000\n1.851798 5.118302 0.000000\n0.000000 0.000000 11.131429\nMg Co O\n2 4 10\ndirect\n0.110941 0.889059 0.750000 Mg\n0.889059 0.110941 0.250000 Mg\n0.795291 0.204709 0.597021 Co\n0.204709 0.795291 0.402979 Co\n0.204709 0.795291 0.097021 Co\n0.795291 0.204709 0.902979 Co\n0.302886 0.697114 0.250000 O\n0.697114 0.302886 0.750000 O\n0.767318 0.232682 0.080028 O\n0.232682 0.767318 0.919972 O\n0.232682 0.767318 0.580028 O\n0.767318 0.232682 0.419972 O\n0.957104 0.042896 0.630155 O\n0.042896 0.957104 0.369845 O\n0.957104 0.042896 0.869845 O\n0.042896 0.957104 0.130155 O\n",
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"elements": [
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],
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"formula_full": "Mg2 Co4 O10",
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},
{
"id": "mp-1043166",
"created_at": "2022-09-04T14:48:14.780268Z",
"structure_string": "Zn2 Ni2 Ge4 O12\n1.0\n5.157264 -0.125367 1.007812\n1.197497 6.573995 0.614760\n-0.156444 -0.082489 6.707233\nZn Ni Ge O\n2 2 4 12\ndirect\n0.749870 0.262723 0.736969 Zn\n0.250113 0.737153 0.262763 Zn\n0.249655 0.092891 0.907457 Ni\n0.750123 0.907361 0.093027 Ni\n0.779102 0.392535 0.206666 Ge\n0.720820 0.793242 0.607502 Ge\n0.220746 0.607477 0.793203 Ge\n0.279106 0.206681 0.392517 Ge\n0.577466 0.292880 0.425467 O\n0.922468 0.574521 0.707066 O\n0.422560 0.707100 0.574479 O\n0.077469 0.425426 0.292906 O\n0.115881 0.136760 0.628895 O\n0.384187 0.371383 0.863127 O\n0.884398 0.863197 0.371327 O\n0.616042 0.628785 0.136770 O\n0.867482 0.201722 0.027801 O\n0.632377 0.971980 0.798309 O\n0.132485 0.798331 0.971959 O\n0.367651 0.027851 0.201791 O\n",
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{
"id": "mp-1043165",
"created_at": "2022-09-04T14:39:29.946766Z",
"structure_string": "Ca4 Ni4 Ge8 O24\n1.0\n5.358600 -0.059105 1.136578\n-4.099181 6.774158 6.478257\n-1.355690 -6.603686 6.047576\nCa Ni Ge O\n4 4 8 24\ndirect\n0.249997 0.500005 0.198312 Ca\n0.750000 0.999998 0.698324 Ca\n0.750001 0.500001 0.801692 Ca\n0.250016 0.000001 0.301674 Ca\n0.750017 0.999992 0.089297 Ni\n0.249985 0.000011 0.910702 Ni\n0.250015 0.499991 0.589272 Ni\n0.749987 0.500004 0.410730 Ni\n0.065060 0.284740 0.901373 Ge\n0.565062 0.784735 0.401372 Ge\n0.434936 0.715259 0.901366 Ge\n0.934932 0.215262 0.401369 Ge\n0.934941 0.715262 0.098627 Ge\n0.434936 0.215262 0.598628 Ge\n0.565065 0.284742 0.098632 Ge\n0.065066 0.784737 0.598631 Ge\n0.882797 0.359695 0.031004 O\n0.382796 0.859694 0.530998 O\n0.617206 0.640305 0.030999 O\n0.117202 0.140306 0.530999 O\n0.117204 0.640305 0.968998 O\n0.617201 0.140306 0.469000 O\n0.382794 0.359697 0.969000 O\n0.882797 0.859694 0.469000 O\n0.524080 0.364036 0.262427 O\n0.024098 0.864028 0.762431 O\n0.975913 0.635961 0.262421 O\n0.475895 0.135964 0.762425 O\n0.475918 0.635963 0.737571 O\n0.975902 0.135969 0.237571 O\n0.024080 0.364041 0.737581 O\n0.524102 0.864033 0.237573 O\n0.974873 0.107390 0.910021 O\n0.474888 0.607385 0.410019 O\n0.525117 0.892608 0.910026 O\n0.025106 0.392611 0.410022 O\n0.025124 0.892612 0.089978 O\n0.525112 0.392612 0.589984 O\n0.474883 0.107393 0.089972 O\n0.974895 0.607389 0.589980 O\n",
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"updated_at": "2021-11-28T01:34:27.706000Z",
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{
"id": "mp-1043162",
"created_at": "2022-09-04T14:41:47.843141Z",
"structure_string": "Mg4 Ni4 Ge8 O24\n1.0\n5.136474 -0.196222 0.936104\n0.829109 6.451281 7.231301\n-1.346882 -6.569301 6.015378\nMg Ni Ge O\n4 4 8 24\ndirect\n0.749983 0.500006 0.231536 Mg\n0.749993 0.000016 0.731524 Mg\n0.250021 0.499993 0.768462 Mg\n0.250004 0.999984 0.268477 Mg\n0.750008 0.999999 0.091997 Ni\n0.249991 0.999999 0.908006 Ni\n0.750002 0.500000 0.592016 Ni\n0.249994 0.500001 0.407992 Ni\n0.790393 0.300021 0.905052 Ge\n0.790417 0.800050 0.405025 Ge\n0.709597 0.699994 0.905023 Ge\n0.709583 0.199951 0.405010 Ge\n0.209612 0.699979 0.094961 Ge\n0.209603 0.199944 0.594973 Ge\n0.290411 0.300002 0.094987 Ge\n0.290388 0.800056 0.594982 Ge\n0.597176 0.360941 0.069967 O\n0.597215 0.860987 0.569931 O\n0.902784 0.639066 0.069936 O\n0.902768 0.139022 0.569923 O\n0.402835 0.639055 0.930040 O\n0.402809 0.139011 0.430055 O\n0.097225 0.360938 0.930071 O\n0.097197 0.860987 0.430060 O\n0.117438 0.382533 0.244204 O\n0.117456 0.882581 0.744179 O\n0.382499 0.617450 0.244174 O\n0.382492 0.117425 0.744172 O\n0.882566 0.617462 0.755807 O\n0.882558 0.117449 0.255797 O\n0.617501 0.382555 0.755838 O\n0.617482 0.882546 0.255807 O\n0.869062 0.115127 0.909291 O\n0.869004 0.615137 0.409278 O\n0.630944 0.884891 0.909258 O\n0.630969 0.384865 0.409259 O\n0.130942 0.884870 0.090715 O\n0.130972 0.384856 0.590725 O\n0.369055 0.115106 0.090747 O\n0.369049 0.615145 0.590742 O\n",
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{
"id": "mp-1043161",
"created_at": "2022-09-04T14:39:45.345999Z",
"structure_string": "Mg2 Mn4 O10\n1.0\n1.858219 -4.887611 0.000000\n1.858219 4.887611 0.000000\n0.000000 0.000000 11.355741\nMg Mn O\n2 4 10\ndirect\n0.099618 0.900382 0.750000 Mg\n0.900382 0.099618 0.250000 Mg\n0.787599 0.212401 0.598470 Mn\n0.212401 0.787599 0.401530 Mn\n0.212401 0.787599 0.098470 Mn\n0.787599 0.212401 0.901530 Mn\n0.300087 0.699913 0.250000 O\n0.699913 0.300087 0.750000 O\n0.760457 0.239543 0.079405 O\n0.239543 0.760457 0.920595 O\n0.239543 0.760457 0.579405 O\n0.760457 0.239543 0.420595 O\n0.961374 0.038626 0.623375 O\n0.038626 0.961374 0.376625 O\n0.961374 0.038626 0.876625 O\n0.038626 0.961374 0.123375 O\n",
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{
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}