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{
"id": "mp-1226624",
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{
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{
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"structure_string": "Mg30 Mn1 Ni1 O32\n1.0\n8.533206 0.000000 0.000000\n0.000000 8.533206 0.000000\n0.000000 0.000000 8.532245\nMg Mn Ni O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.250434 0.000000 0.251400 Mg\n0.250434 0.000000 0.748600 Mg\n0.749566 0.000000 0.251400 Mg\n0.749566 0.000000 0.748600 Mg\n0.249865 0.500000 0.250194 Mg\n0.249865 0.500000 0.749806 Mg\n0.750135 0.500000 0.250194 Mg\n0.750135 0.500000 0.749806 Mg\n0.000000 0.250434 0.251400 Mg\n0.000000 0.250434 0.748600 Mg\n0.500000 0.249865 0.250194 Mg\n0.500000 0.249865 0.749806 Mg\n0.000000 0.749566 0.251400 Mg\n0.000000 0.749566 0.748600 Mg\n0.500000 0.750135 0.250194 Mg\n0.500000 0.750135 0.749806 Mg\n0.250824 0.250824 0.000000 Mg\n0.249398 0.249398 0.500000 Mg\n0.749176 0.250824 0.000000 Mg\n0.750602 0.249398 0.500000 Mg\n0.250824 0.749176 0.000000 Mg\n0.249398 0.750602 0.500000 Mg\n0.749176 0.749176 0.000000 Mg\n0.750602 0.750602 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Ni\n0.000000 0.256346 0.000000 O\n0.000000 0.251767 0.500000 O\n0.500000 0.250785 0.000000 O\n0.500000 0.250010 0.500000 O\n0.000000 0.743654 0.000000 O\n0.000000 0.748233 0.500000 O\n0.500000 0.749215 0.000000 O\n0.500000 0.749990 0.500000 O\n0.249506 0.249506 0.250001 O\n0.249506 0.249506 0.749999 O\n0.750494 0.249506 0.250001 O\n0.750494 0.249506 0.749999 O\n0.249506 0.750494 0.250001 O\n0.249506 0.750494 0.749999 O\n0.750494 0.750494 0.250001 O\n0.750494 0.750494 0.749999 O\n0.000000 0.000000 0.255437 O\n0.000000 0.000000 0.744563 O\n0.500000 0.000000 0.251013 O\n0.500000 0.000000 0.748987 O\n0.000000 0.500000 0.251013 O\n0.000000 0.500000 0.748987 O\n0.500000 0.500000 0.250251 O\n0.500000 0.500000 0.749749 O\n0.256346 0.000000 0.000000 O\n0.251767 0.000000 0.500000 O\n0.743654 0.000000 0.000000 O\n0.748233 0.000000 0.500000 O\n0.250785 0.500000 0.000000 O\n0.250010 0.500000 0.500000 O\n0.749215 0.500000 0.000000 O\n0.749990 0.500000 0.500000 O\n",
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"spacegroup": 123
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{
"id": "mp-1223957",
"created_at": "2022-09-04T14:44:50.130239Z",
"structure_string": "K4 Mg1 Cu3 F12\n1.0\n4.050619 -8.140474 0.000000\n4.050619 8.140474 0.000000\n0.000000 0.000000 4.101767\nK Mg Cu F\n4 1 3 12\ndirect\n0.873852 0.621895 0.500000 K\n0.621895 0.873852 0.500000 K\n0.378105 0.126148 0.500000 K\n0.126148 0.378105 0.500000 K\n0.000000 0.000000 0.000000 Mg\n0.750717 0.249283 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.249283 0.750717 0.000000 Cu\n0.250085 0.250085 0.000000 F\n0.000000 0.500000 0.000000 F\n0.749915 0.749915 0.000000 F\n0.500000 0.000000 0.000000 F\n0.627610 0.372390 0.000000 F\n0.372390 0.627610 0.000000 F\n0.123394 0.876606 0.000000 F\n0.876606 0.123394 0.000000 F\n0.500000 0.500000 0.500000 F\n0.249422 0.750578 0.500000 F\n0.000000 0.000000 0.500000 F\n0.750578 0.249422 0.500000 F\n",
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"density_atomic": 0.07393633590298244,
"volume": 270.50299092781034,
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"formula_full": "K4 Mg1 Cu3 F12",
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"spacegroup": 65
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{
"id": "mp-756967",
"created_at": "2022-09-04T14:44:50.651689Z",
"structure_string": "Li4 Cr2 O8\n1.0\n5.068250 0.000000 0.000000\n0.000000 5.361528 0.000000\n0.000000 0.000000 6.659233\nLi Cr O\n4 2 8\ndirect\n0.992526 0.322041 0.246404 Li\n0.492526 0.677959 0.253596 Li\n0.492526 0.677959 0.746404 Li\n0.992526 0.322041 0.753596 Li\n0.001706 0.821880 0.000000 Cr\n0.501706 0.178120 0.500000 Cr\n0.915890 0.121106 0.000000 O\n0.328594 0.796101 0.000000 O\n0.884330 0.678331 0.203248 O\n0.384330 0.321669 0.296752 O\n0.828594 0.203899 0.500000 O\n0.415890 0.878894 0.500000 O\n0.384330 0.321669 0.703248 O\n0.884330 0.678331 0.796752 O\n",
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{
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"created_at": "2022-09-04T14:44:49.968002Z",
"structure_string": "K4 Sn2 P2 C2 O14\n1.0\n7.063175 0.000000 0.000000\n0.000000 5.826145 0.000000\n0.000000 0.599653 9.903141\nK Sn P C O\n4 2 2 2 14\ndirect\n0.014353 0.246889 0.771530 K\n0.485647 0.246889 0.771530 K\n0.514353 0.753111 0.228470 K\n0.985647 0.753111 0.228470 K\n0.750000 0.781094 0.631619 Sn\n0.250000 0.218906 0.368381 Sn\n0.250000 0.716690 0.575643 P\n0.750000 0.283310 0.424357 P\n0.750000 0.725384 0.904449 C\n0.250000 0.274616 0.095551 C\n0.250000 0.289799 0.969306 O\n0.750000 0.926645 0.833345 O\n0.750000 0.545077 0.829246 O\n0.071642 0.787430 0.656797 O\n0.428358 0.787430 0.656797 O\n0.750000 0.158622 0.569100 O\n0.250000 0.451191 0.560871 O\n0.750000 0.548809 0.439129 O\n0.250000 0.841378 0.430900 O\n0.571642 0.212570 0.343203 O\n0.928358 0.212570 0.343203 O\n0.250000 0.454923 0.170754 O\n0.250000 0.073355 0.166655 O\n0.750000 0.710201 0.030694 O\n",
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{
"id": "mp-1184457",
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{
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{
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{
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},
{
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"structure_string": "Li2 Ni8 P6 O24\n1.0\n6.285971 5.777246 0.000000\n-6.285971 5.777246 0.000000\n0.000000 2.679538 5.935395\nLi Ni P O\n2 8 6 24\ndirect\n0.000573 0.999427 0.750000 Li\n0.999427 0.000573 0.250000 Li\n0.946573 0.628928 0.622964 Ni\n0.628928 0.946573 0.122964 Ni\n0.504975 0.495025 0.750000 Ni\n0.262536 0.737464 0.750000 Ni\n0.737464 0.262536 0.250000 Ni\n0.495025 0.504975 0.250000 Ni\n0.371072 0.053427 0.877036 Ni\n0.053427 0.371072 0.377036 Ni\n0.662213 0.883140 0.620747 P\n0.883140 0.662213 0.120747 P\n0.709427 0.290573 0.750000 P\n0.290573 0.709427 0.250000 P\n0.116860 0.337787 0.879253 P\n0.337787 0.116860 0.379253 P\n0.838805 0.842925 0.600566 O\n0.600886 0.959594 0.811050 O\n0.842925 0.838805 0.100566 O\n0.959594 0.600886 0.311050 O\n0.324848 0.992918 0.612215 O\n0.728065 0.477520 0.742703 O\n0.524330 0.729905 0.671401 O\n0.742360 0.187713 0.963635 O\n0.812287 0.257640 0.536365 O\n0.992918 0.324848 0.112215 O\n0.477520 0.728065 0.242703 O\n0.729905 0.524330 0.171401 O\n0.270095 0.475670 0.828599 O\n0.522480 0.271935 0.757297 O\n0.007082 0.675152 0.887785 O\n0.187713 0.742360 0.463635 O\n0.257640 0.812287 0.036365 O\n0.475670 0.270095 0.328599 O\n0.271935 0.522480 0.257297 O\n0.675152 0.007082 0.387785 O\n0.040406 0.399114 0.688950 O\n0.157075 0.161195 0.899434 O\n0.399114 0.040406 0.188950 O\n0.161195 0.157075 0.399434 O\n",
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},
{
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"structure_string": "K2 Gd2 Ge2 S8\n1.0\n6.735313 0.000000 0.000000\n0.000000 6.571234 0.000000\n0.000000 2.547153 8.339016\nK Gd Ge S\n2 2 2 8\ndirect\n0.490365 0.268288 0.933625 K\n0.990365 0.731712 0.066375 K\n0.506710 0.228967 0.449056 Gd\n0.006710 0.771033 0.550944 Gd\n0.973961 0.224741 0.678110 Ge\n0.473961 0.775259 0.321890 Ge\n0.412975 0.571806 0.570981 S\n0.912975 0.428194 0.429019 S\n0.971761 0.432161 0.836152 S\n0.471761 0.567839 0.163848 S\n0.242690 0.017117 0.704984 S\n0.742690 0.982883 0.295016 S\n0.234539 0.021591 0.279806 S\n0.734539 0.978409 0.720194 S\n",
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]
}