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{
"id": "mp-752508",
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{
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"formula_full": "Mn2 Co2 Bi4 O12",
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{
"id": "mp-1226041",
"created_at": "2022-09-04T14:42:22.726128Z",
"structure_string": "Co4 Re1\n1.0\n-1.840254 -1.840254 0.000000\n0.000000 1.840254 -1.840254\n7.154058 -5.313803 -5.313803\nCo Re\n4 1\ndirect\n0.807584 0.403792 0.211376 Co\n0.602376 0.801188 0.403565 Co\n0.397624 0.198812 0.596435 Co\n0.192416 0.596208 0.788624 Co\n0.000000 0.000000 0.000000 Re\n",
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},
{
"id": "mp-759625",
"created_at": "2022-09-04T14:42:22.697855Z",
"structure_string": "Li6 Fe4 B4 O16\n1.0\n5.196651 0.000000 0.000000\n0.000000 6.637692 0.000000\n0.000000 1.368031 10.857887\nLi Fe B O\n6 4 4 16\ndirect\n0.901967 0.891359 0.786751 Li\n0.098033 0.891359 0.286751 Li\n0.588545 0.208591 0.931274 Li\n0.411455 0.208591 0.431274 Li\n0.397259 0.096069 0.709271 Li\n0.602741 0.096069 0.209271 Li\n0.097134 0.487059 0.844721 Fe\n0.585503 0.501892 0.653095 Fe\n0.902866 0.487059 0.344721 Fe\n0.414497 0.501892 0.153095 Fe\n0.425481 0.804538 0.928830 B\n0.574519 0.804538 0.428830 B\n0.917906 0.205720 0.568516 B\n0.082094 0.205720 0.068516 B\n0.560051 0.950745 0.859082 O\n0.439949 0.950745 0.359082 O\n0.183340 0.742700 0.894581 O\n0.816660 0.742700 0.394581 O\n0.473542 0.712719 0.539708 O\n0.526458 0.712719 0.039708 O\n0.865791 0.603136 0.726154 O\n0.134209 0.603136 0.226154 O\n0.401314 0.377539 0.788064 O\n0.598686 0.377539 0.288064 O\n0.951136 0.285899 0.961039 O\n0.048864 0.285899 0.461039 O\n0.651579 0.257628 0.576775 O\n0.348421 0.257628 0.076775 O\n0.040496 0.091271 0.659778 O\n0.959504 0.091271 0.159778 O\n",
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"formula_full": "Li6 Fe4 B4 O16",
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"spacegroup": 7
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{
"id": "mp-541622",
"created_at": "2022-09-04T14:42:22.983850Z",
"structure_string": "K2 Cu6 Te4\n1.0\n2.130486 8.193686 0.000000\n-2.130486 8.193686 0.000000\n0.000000 3.194191 8.073932\nK Cu Te\n2 6 4\ndirect\n0.133827 0.133827 0.954445 K\n0.866173 0.866173 0.045555 K\n0.583654 0.583654 0.399419 Cu\n0.416346 0.416346 0.600581 Cu\n0.696084 0.696084 0.528672 Cu\n0.303916 0.303916 0.471328 Cu\n0.929744 0.929744 0.416438 Cu\n0.070256 0.070256 0.583562 Cu\n0.798190 0.798190 0.695113 Te\n0.201810 0.201810 0.304887 Te\n0.520872 0.520872 0.760989 Te\n0.479128 0.479128 0.239011 Te\n",
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"volume": 281.8857258238922,
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"formula_full": "K2 Cu6 Te4",
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{
"id": "mp-1025309",
"created_at": "2022-09-04T14:42:22.984527Z",
"structure_string": "Pr1 Re4 Si2\n1.0\n2.088719 -7.051998 0.000000\n2.088719 7.051998 0.000000\n0.000000 0.000000 4.132862\nPr Re Si\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.810339 0.189661 0.500000 Re\n0.189661 0.810339 0.500000 Re\n0.696108 0.303892 0.000000 Re\n0.303892 0.696108 0.000000 Re\n0.589271 0.410729 0.500000 Si\n0.410729 0.589271 0.500000 Si\n",
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"formula_full": "Pr1 Re4 Si2",
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{
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"structure_string": "V2 F10\n1.0\n6.587236 0.000000 0.000000\n0.000000 6.587236 0.000000\n0.000000 0.000000 4.651789\nV F\n2 10\ndirect\n0.500000 0.000000 0.622078 V\n0.000000 0.500000 0.377922 V\n0.500000 0.000000 0.247937 F\n0.242192 0.037420 0.717158 F\n0.962580 0.242192 0.282842 F\n0.537420 0.257808 0.717158 F\n0.257808 0.462580 0.282842 F\n0.000000 0.500000 0.752063 F\n0.742192 0.537420 0.282842 F\n0.462580 0.742192 0.717158 F\n0.037420 0.757808 0.282842 F\n0.757808 0.962580 0.717158 F\n",
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"volume": 201.8489309687425,
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{
"id": "mp-1187169",
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"structure_string": "Sr1 Ca3\n1.0\n-2.833297 2.833297 5.603908\n2.833297 -2.833297 5.603908\n2.833297 2.833297 -5.603908\nSr Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n",
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{
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"structure_string": "Cu8 P4 O16 F4\n1.0\n3.129449 6.459616 0.000000\n-3.129449 6.459616 0.000000\n0.000000 4.957854 8.847982\nCu P O F\n8 4 16 4\ndirect\n0.804337 0.318257 0.998227 Cu\n0.681743 0.195663 0.501773 Cu\n0.195663 0.681743 0.001773 Cu\n0.318257 0.804337 0.498227 Cu\n0.962308 0.732045 0.348846 Cu\n0.267955 0.037692 0.151154 Cu\n0.037692 0.267955 0.651154 Cu\n0.732045 0.962308 0.848846 Cu\n0.778732 0.565227 0.198376 P\n0.434773 0.221268 0.301624 P\n0.221268 0.434773 0.801624 P\n0.565227 0.778732 0.698376 P\n0.229318 0.401127 0.403782 O\n0.598873 0.770682 0.096218 O\n0.770682 0.598873 0.596218 O\n0.401127 0.229318 0.903782 O\n0.050633 0.361137 0.809530 O\n0.638863 0.949367 0.690470 O\n0.949367 0.638863 0.190470 O\n0.361137 0.050633 0.309530 O\n0.353573 0.492944 0.635784 O\n0.507056 0.646427 0.864216 O\n0.646427 0.507056 0.364216 O\n0.492944 0.353573 0.135784 O\n0.061490 0.665193 0.867804 O\n0.334807 0.938510 0.632196 O\n0.938510 0.334807 0.132196 O\n0.665193 0.061490 0.367804 O\n0.905284 0.143311 0.597701 F\n0.856689 0.094716 0.902299 F\n0.094716 0.856689 0.402299 F\n0.143311 0.905284 0.097701 F\n",
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"formula_full": "Cu8 P4 O16 F4",
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{
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"formula_full": "Co20 Sb60 I4",
"formula_reduced": "Co5Sb15I",
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"updated_at": "2021-11-28T01:35:51.521000Z",
"spacegroup": 12
},
{
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"created_at": "2022-09-04T14:42:23.332665Z",
"structure_string": "Ta2 Ti2 Fe8\n1.0\n-2.360725 -4.089986 -0.000069\n-2.360725 4.089986 0.000069\n0.000000 -0.000130 -7.811974\nTa Ti Fe\n2 2 8\ndirect\n0.666609 0.333391 0.570247 Ta\n0.333391 0.666609 0.429753 Ta\n0.333290 0.666710 0.062295 Ti\n0.666710 0.333290 0.937705 Ti\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.170267 0.340615 0.751745 Fe\n0.170355 0.829645 0.751816 Fe\n0.659385 0.829733 0.751745 Fe\n0.829733 0.659385 0.248255 Fe\n0.829645 0.170355 0.248184 Fe\n0.340615 0.170267 0.248255 Fe\n",
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"density": 9.955125250382858,
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"volume": 150.8544081708306,
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"formula_full": "Ta2 Ti2 Fe8",
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{
"id": "mp-1077735",
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"structure_string": "La2 Sn4\n1.0\n2.340415 -7.641082 0.000000\n2.340415 7.641082 0.000000\n0.000000 0.000000 4.825745\nLa Sn\n2 4\ndirect\n0.148369 0.851631 0.000000 La\n0.851631 0.148369 0.000000 La\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.326106 0.673894 0.500000 Sn\n0.673894 0.326106 0.500000 Sn\n",
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]
}