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{
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{
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{
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{
"id": "mp-775967",
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"structure_string": "Mn3 Nb1 Cr2 P6 O24\n1.0\n7.355233 -4.382239 0.000000\n7.355233 4.382239 0.000000\n4.744300 0.000000 7.127067\nMn Nb Cr P O\n3 1 2 6 24\ndirect\n0.149178 0.149178 0.149178 Mn\n0.352817 0.352817 0.352817 Mn\n0.646545 0.646545 0.646545 Mn\n0.853445 0.853445 0.853445 Nb\n0.002756 0.002756 0.002756 Cr\n0.501500 0.501500 0.501500 Cr\n0.442722 0.748036 0.054054 P\n0.547995 0.254437 0.946540 P\n0.946540 0.547995 0.254437 P\n0.254437 0.946540 0.547995 P\n0.748036 0.054054 0.442722 P\n0.054054 0.442722 0.748036 P\n0.321225 0.094642 0.518409 O\n0.518409 0.321225 0.094642 O\n0.904153 0.070006 0.246777 O\n0.094642 0.518409 0.321225 O\n0.828377 0.987185 0.607216 O\n0.603644 0.250347 0.446551 O\n0.070006 0.246777 0.904153 O\n0.250347 0.446551 0.603644 O\n0.402576 0.174921 0.988684 O\n0.446551 0.603644 0.250347 O\n0.754952 0.094004 0.927299 O\n0.988684 0.402576 0.174921 O\n0.987185 0.607216 0.828377 O\n0.246777 0.904153 0.070006 O\n0.567188 0.401462 0.744199 O\n0.607216 0.828377 0.987185 O\n0.744199 0.567188 0.401462 O\n0.927299 0.754952 0.094004 O\n0.401462 0.744199 0.567188 O\n0.174921 0.988684 0.402576 O\n0.902810 0.485694 0.677652 O\n0.094004 0.927299 0.754952 O\n0.485694 0.677652 0.902810 O\n0.677652 0.902810 0.485694 O\n",
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"volume": 459.44479061603,
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"formula_full": "Mn3 Nb1 Cr2 P6 O24",
"formula_reduced": "Mn3NbCr2(PO4)6",
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},
{
"id": "mp-770327",
"created_at": "2022-09-04T14:46:04.769212Z",
"structure_string": "Li4 Ti3 Fe3 Co2 O16\n1.0\n2.979029 5.130480 0.000000\n-2.979029 5.130480 0.000000\n0.000000 0.135391 9.619259\nLi Ti Fe Co O\n4 3 3 2 16\ndirect\n0.664682 0.664682 0.892123 Li\n0.999075 0.999075 0.993589 Li\n0.002141 0.002141 0.496968 Li\n0.330996 0.330996 0.396108 Li\n0.828077 0.339506 0.214242 Ti\n0.339506 0.828077 0.214242 Ti\n0.171313 0.171313 0.717492 Ti\n0.830489 0.830489 0.216175 Fe\n0.659779 0.170234 0.711515 Fe\n0.170234 0.659779 0.711515 Fe\n0.675664 0.675664 0.491598 Co\n0.337105 0.337105 0.988282 Co\n0.833735 0.332130 0.600617 O\n0.518299 0.518299 0.332890 O\n0.664086 0.664086 0.103946 O\n0.003351 0.003351 0.312038 O\n0.999919 0.999919 0.806515 O\n0.332130 0.833735 0.600617 O\n0.955608 0.514506 0.341177 O\n0.514506 0.955608 0.341177 O\n0.169180 0.169180 0.103724 O\n0.833751 0.833751 0.593929 O\n0.475516 0.035923 0.836793 O\n0.035923 0.475516 0.836793 O\n0.328855 0.328855 0.601426 O\n0.676282 0.171072 0.104474 O\n0.475972 0.475972 0.843705 O\n0.171072 0.676282 0.104474 O\n",
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"formula_full": "Li4 Ti3 Fe3 Co2 O16",
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{
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"structure_string": "Na1 Y1 Tl2\n1.0\n-6.250238 6.610890 9.348702\n6.250238 -6.610890 9.348702\n6.250238 6.610890 -9.348702\nNa Y Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.500000 0.500000 Y\n0.000000 0.251198 0.251198 Tl\n0.000000 0.748802 0.748802 Tl\n",
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{
"id": "mp-1074292",
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"structure_string": "Mg8 Si6\n1.0\n6.783865 0.000000 0.000000\n1.526298 6.652134 0.000000\n2.941657 2.606375 6.301200\nMg Si\n8 6\ndirect\n0.819924 0.684188 0.454781 Mg\n0.647889 0.803355 0.001713 Mg\n0.212243 0.456661 0.179399 Mg\n0.487054 0.108691 0.460355 Mg\n0.149561 0.758894 0.628976 Mg\n0.468137 0.330826 0.741597 Mg\n0.742293 0.350039 0.964758 Mg\n0.142566 0.972445 0.954499 Mg\n0.883741 0.128555 0.679571 Si\n0.767470 0.429423 0.282013 Si\n0.362121 0.057044 0.178392 Si\n0.462217 0.710320 0.785610 Si\n0.131900 0.374332 0.606756 Si\n0.972924 0.085357 0.331480 Si\n",
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{
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"structure_string": "K2 Tm1 Cu1 Cl6\n1.0\n0.000000 5.142632 5.142632\n5.142632 0.000000 5.142632\n5.142632 5.142632 0.000000\nK Tm Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Cu\n0.747646 0.252354 0.252354 Cl\n0.252354 0.252354 0.747646 Cl\n0.252354 0.747646 0.747646 Cl\n0.252354 0.747646 0.252354 Cl\n0.747646 0.252354 0.747646 Cl\n0.747646 0.747646 0.252354 Cl\n",
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"volume": 272.0109200014221,
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"formula_full": "K2 Tm1 Cu1 Cl6",
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{
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{
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{
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{
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"structure_string": "V8 Cu16 H8 O40\n1.0\n6.184735 0.000000 0.000000\n0.000000 8.595110 0.000000\n0.000000 0.000000 15.209928\nV Cu H O\n8 16 8 40\ndirect\n0.776747 0.777830 0.652348 V\n0.723253 0.222170 0.152348 V\n0.276747 0.722170 0.347652 V\n0.223253 0.277830 0.847652 V\n0.287281 0.435696 0.581653 V\n0.212719 0.564304 0.081653 V\n0.787281 0.064304 0.418347 V\n0.712719 0.935696 0.918347 V\n0.286216 0.833931 0.575747 Cu\n0.213784 0.166069 0.075747 Cu\n0.786216 0.666069 0.424253 Cu\n0.713784 0.333931 0.924253 Cu\n0.023935 0.116985 0.640812 Cu\n0.476065 0.883015 0.140812 Cu\n0.523935 0.383015 0.359188 Cu\n0.976065 0.616985 0.859188 Cu\n0.766337 0.398435 0.714027 Cu\n0.733663 0.601565 0.214027 Cu\n0.266337 0.101565 0.285973 Cu\n0.233663 0.898435 0.785973 Cu\n0.536931 0.120251 0.634134 Cu\n0.963069 0.879749 0.134134 Cu\n0.036931 0.379749 0.365866 Cu\n0.463069 0.620251 0.865866 Cu\n0.260482 0.104157 0.504908 H\n0.239518 0.895843 0.004908 H\n0.760482 0.395843 0.495092 H\n0.739518 0.604157 0.995092 H\n0.759665 0.136304 0.777013 H\n0.740335 0.863696 0.277013 H\n0.259665 0.363696 0.222987 H\n0.240335 0.636304 0.722987 H\n0.787159 0.708823 0.548030 O\n0.712841 0.291177 0.048030 O\n0.287159 0.791177 0.451970 O\n0.212841 0.208823 0.951970 O\n0.756877 0.620436 0.723750 O\n0.743123 0.379564 0.223750 O\n0.256877 0.879564 0.276250 O\n0.243123 0.120436 0.776250 O\n0.018677 0.893619 0.676989 O\n0.481323 0.106381 0.176989 O\n0.518677 0.606381 0.323011 O\n0.981323 0.393619 0.823011 O\n0.540220 0.894978 0.665351 O\n0.959780 0.105022 0.165352 O\n0.040220 0.605022 0.334649 O\n0.459780 0.394978 0.834649 O\n0.276379 0.062445 0.564946 O\n0.223622 0.937555 0.064946 O\n0.776378 0.437555 0.435054 O\n0.723622 0.562445 0.935054 O\n0.772374 0.171874 0.713863 O\n0.727626 0.828126 0.213863 O\n0.272374 0.328126 0.286137 O\n0.227626 0.671874 0.786137 O\n0.533814 0.350338 0.621476 O\n0.966186 0.649662 0.121476 O\n0.033814 0.149662 0.378524 O\n0.466186 0.850338 0.878524 O\n0.272619 0.628088 0.618233 O\n0.227381 0.371912 0.118233 O\n0.772619 0.871912 0.381767 O\n0.727381 0.128088 0.881767 O\n0.061663 0.339420 0.623673 O\n0.438337 0.660580 0.123673 O\n0.561663 0.160580 0.376327 O\n0.938337 0.839420 0.876327 O\n0.287736 0.421068 0.470246 O\n0.212264 0.578932 0.970246 O\n0.787736 0.078932 0.529754 O\n0.712264 0.921068 0.029754 O\n",
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}