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{
"id": "jvasp-29526",
"created_at": "2022-09-04T14:37:12.954380Z",
"updated_at": "2022-09-04T14:37:12.954412Z",
"structure_string": "Zn2 Te2 Mo2 O12\n1.0\n5.073319 0.000000 0.000000\n0.000000 5.302659 0.000000\n0.000000 0.000000 8.924802\nZn Te Mo O\n2 2 2 12\ndirect\n0.500000 0.500000 0.522844 Zn\n0.000000 0.000000 0.477156 Zn\n0.000000 0.500000 0.251452 Te\n0.500000 0.000000 0.748547 Te\n0.000000 0.500000 0.811513 Mo\n0.500000 0.000000 0.188487 Mo\n0.761068 0.177609 0.291361 O\n0.238932 0.822391 0.291361 O\n0.722447 0.175486 0.607147 O\n0.261068 0.322391 0.708639 O\n0.846038 0.286463 0.927702 O\n0.738932 0.677609 0.708639 O\n0.277553 0.824515 0.607147 O\n0.153962 0.713537 0.927702 O\n0.777553 0.675486 0.392853 O\n0.222447 0.324515 0.392853 O\n0.653962 0.786463 0.072298 O\n0.346038 0.213537 0.072298 O\n",
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{
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"structure_string": "Mn5 Cu1 O12\n1.0\n2.484550 4.315773 -0.467898\n-2.511905 4.319134 -0.233950\n-0.411288 -0.714425 8.890711\nMn Cu O\n5 1 12\ndirect\n0.166645 0.666708 0.500000 Mn\n0.666663 0.666674 -0.000000 Mn\n0.333336 0.333327 -0.000000 Mn\n0.833354 0.333293 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Cu\n0.963939 0.346742 0.890878 O\n0.382835 -0.000000 0.109132 O\n0.689318 0.346742 0.109121 O\n0.868957 0.666686 0.607826 O\n0.202273 0.000000 0.607846 O\n0.131041 0.333315 0.392174 O\n0.464355 0.666686 0.392174 O\n0.617164 0.000001 0.890867 O\n0.310680 0.653260 0.890878 O\n0.036059 0.653259 0.109122 O\n0.535643 0.333315 0.607826 O\n0.797727 0.000000 0.392154 O\n",
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{
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"created_at": "2022-09-04T14:37:07.816489Z",
"updated_at": "2022-09-04T14:37:07.816507Z",
"structure_string": "Cd6 Si2 O10\n1.0\n6.881901 0.000000 0.000000\n0.000000 6.881901 0.000000\n0.000000 0.000000 5.063613\nCd Si O\n6 2 10\ndirect\n0.000000 0.500000 0.968446 Cd\n0.500000 0.000000 0.031554 Cd\n0.750000 0.750000 0.500000 Cd\n0.250000 0.750000 0.500000 Cd\n0.750000 0.250000 0.500000 Cd\n0.250000 0.250000 0.500000 Cd\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.689699 0.199000 O\n0.810301 0.000000 0.199000 O\n0.310301 0.500000 0.800999 O\n0.689699 0.500000 0.800999 O\n0.000000 0.500000 0.394125 O\n0.000000 0.810301 0.800999 O\n0.500000 0.000000 0.605874 O\n0.189699 0.000000 0.199000 O\n0.000000 0.189699 0.800999 O\n0.500000 0.310301 0.199000 O\n",
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"volume": 239.8155542596766,
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"formula_full": "Cd6 Si2 O10",
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{
"id": "jvasp-52680",
"created_at": "2022-09-04T14:37:30.330279Z",
"updated_at": "2022-09-04T14:37:30.330290Z",
"structure_string": "Li10 Si2 P6\n1.0\n5.903647 -0.001980 0.003172\n-2.949615 6.402560 0.005050\n-0.005441 -2.863891 8.099261\nLi Si P\n10 2 6\ndirect\n0.083769 0.687392 0.420046 Li\n0.919439 0.320953 0.081900 Li\n0.910828 0.348154 0.578375 Li\n0.211894 0.996918 0.771958 Li\n0.401471 0.320954 0.581900 Li\n0.558408 0.646101 0.408490 Li\n0.087683 0.646104 0.908494 Li\n0.437308 0.348156 0.078373 Li\n0.784994 0.996914 0.271954 Li\n0.603582 0.687383 0.920042 Li\n0.676264 0.999112 0.696993 Si\n0.322813 0.999118 0.197000 Si\n0.329970 0.682469 0.172318 P\n0.035285 0.000200 0.037607 P\n0.352470 0.682465 0.672314 P\n0.964876 0.000194 0.537606 P\n0.647525 0.314705 0.326494 P\n0.667165 0.314707 0.826493 P\n",
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{
"id": "jvasp-42302",
"created_at": "2022-09-04T14:38:11.795065Z",
"updated_at": "2022-09-04T14:38:11.795080Z",
"structure_string": "Mn6 O4 F8\n1.0\n-4.504529 4.504529 3.078931\n0.236722 4.773722 -3.126489\n-4.773722 -0.236722 -3.126489\nMn O F\n6 4 8\ndirect\n0.836838 0.668563 0.668563 Mn\n0.670829 0.350795 0.350795 Mn\n0.329170 0.649206 0.649206 Mn\n0.163162 0.331437 0.331437 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.371908 0.428141 0.428141 O\n0.040627 0.761687 0.761687 O\n0.628092 0.571860 0.571860 O\n0.959373 0.238314 0.238314 O\n-0.000000 0.302302 0.697698 F\n0.674009 0.028315 0.642570 F\n0.325991 0.357431 0.971685 F\n0.310109 0.879688 0.879688 F\n0.689891 0.120313 0.120313 F\n0.325991 0.971685 0.357431 F\n0.674009 0.642570 0.028315 F\n-0.000000 0.697698 0.302302 F\n",
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"volume": 211.11922003747748,
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"formula_full": "Mn6 O4 F8",
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{
"id": "jvasp-47950",
"created_at": "2022-09-04T14:37:07.966445Z",
"updated_at": "2022-09-04T14:37:07.966601Z",
"structure_string": "Fe6 O3 F9\n1.0\n-4.922175 4.922175 3.086522\n-0.125368 4.796060 -3.084682\n-4.796060 0.125368 -3.084682\nFe O F\n6 3 9\ndirect\n0.835236 0.665410 0.667763 Fe\n0.335841 0.691331 0.639282 Fe\n0.664159 0.360718 0.308669 Fe\n0.164764 0.332237 0.334589 Fe\n0.500000 0.980647 0.019353 Fe\n0.000000 0.965375 0.034625 Fe\n0.328599 0.982911 0.357240 O\n0.000000 0.680333 0.319666 O\n0.671400 0.642760 0.017089 O\n0.366540 0.431340 0.436108 F\n0.662601 0.048967 0.622942 F\n0.337399 0.377058 0.951032 F\n0.963203 0.228321 0.237691 F\n0.299646 0.904086 0.896225 F\n0.633460 0.563892 0.568659 F\n0.036797 0.762309 0.771679 F\n0.700354 0.103775 0.095913 F\n0.000000 0.278529 0.721471 F\n",
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"formula_full": "Fe6 O3 F9",
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{
"id": "jvasp-9556",
"created_at": "2022-09-04T14:37:08.067073Z",
"updated_at": "2022-09-04T14:37:08.067110Z",
"structure_string": "Mg4 Sn4 O10\n1.0\n3.944622 0.000000 0.000000\n0.000000 5.564451 -0.000000\n0.000000 -0.000000 10.474199\nMg Sn O\n4 4 10\ndirect\n0.500000 0.135130 0.892016 Mg\n0.500000 0.864869 0.107985 Mg\n0.500000 0.635130 0.607985 Mg\n0.500000 0.364870 0.392016 Mg\n0.000000 0.156156 0.611237 Sn\n0.000000 0.843843 0.388763 Sn\n0.000000 0.343844 0.111237 Sn\n0.000000 0.656156 0.888763 Sn\n0.500000 0.266650 0.596613 O\n0.000000 0.791141 0.703028 O\n0.500000 0.766650 0.903387 O\n0.500000 0.233350 0.096613 O\n0.000000 0.500000 0.500000 O\n0.000000 0.708859 0.203028 O\n0.000000 0.208859 0.296972 O\n0.000000 0.000000 0.000000 O\n0.000000 0.291141 0.796972 O\n0.500000 0.733349 0.403387 O\n",
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{
"id": "jvasp-21869",
"created_at": "2022-09-04T14:37:29.090171Z",
"updated_at": "2022-09-04T14:37:29.090198Z",
"structure_string": "Sc2 U6 Sb10\n1.0\n4.561599 -7.900921 0.000000\n4.561599 7.900921 -0.000000\n0.000000 0.000000 6.175020\nSc U Sb\n2 6 10\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.387679 0.000000 0.250000 U\n0.000000 0.612321 0.750000 U\n0.387679 0.387679 0.750000 U\n0.612321 0.612321 0.250000 U\n0.000000 0.387679 0.250000 U\n0.612321 0.000000 0.750000 U\n0.000000 0.729841 0.250000 Sb\n0.270159 0.000000 0.750000 Sb\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.500000 Sb\n0.729841 0.000000 0.250000 Sb\n0.666667 0.333333 0.000000 Sb\n0.270159 0.270159 0.250000 Sb\n0.000000 0.270159 0.750000 Sb\n0.729841 0.729841 0.750000 Sb\n",
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"formula_full": "Sc2 U6 Sb10",
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"spacegroup": 193
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{
"id": "jvasp-42619",
"created_at": "2022-09-04T14:37:30.300157Z",
"updated_at": "2022-09-04T14:37:30.300181Z",
"structure_string": "Co6 O7 F5\n1.0\n-4.708285 4.708285 2.918127\n-0.248519 4.465137 -2.928515\n-4.465137 0.248519 -2.928515\nCo O F\n6 7 5\ndirect\n0.833243 0.667053 0.667053 Co\n0.325809 0.651950 0.651950 Co\n0.653228 0.335924 0.335924 Co\n0.181506 0.341448 0.341448 Co\n0.496791 0.996640 0.996640 Co\n0.001373 0.005114 0.005114 Co\n0.004693 0.701723 0.305151 O\n0.004693 0.305151 0.701723 O\n0.664331 0.637101 0.032145 O\n0.371335 0.432462 0.432462 O\n0.664331 0.032145 0.637101 O\n0.334138 0.359900 0.966316 O\n0.334138 0.966316 0.359900 O\n0.019470 0.766685 0.766685 F\n0.644437 0.571563 0.571563 F\n0.297007 0.886581 0.886581 F\n0.965496 0.244569 0.244569 F\n0.704003 0.097665 0.097665 F\n",
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{
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"created_at": "2022-09-04T14:37:12.690334Z",
"updated_at": "2022-09-04T14:37:12.690348Z",
"structure_string": "Cd6 I12\n1.0\n4.285527 0.000000 -0.000000\n-2.142764 3.711377 0.000000\n-0.000000 0.000000 41.289410\nCd I\n6 12\ndirect\n0.000000 0.000000 0.541628 Cd\n0.333334 0.666668 0.708323 Cd\n0.000000 0.000000 0.874996 Cd\n0.666668 0.333333 0.041677 Cd\n0.666668 0.333333 0.374988 Cd\n0.000000 0.000000 0.208352 Cd\n0.333334 0.666668 0.250379 I\n0.333334 0.666668 0.417013 I\n0.666668 0.333333 0.499629 I\n0.666668 0.333333 0.666302 I\n0.000000 0.000000 -0.000314 I\n0.000000 0.000000 0.333001 I\n0.333334 0.666668 0.917012 I\n0.000000 0.000000 0.750322 I\n0.666668 0.333333 0.832987 I\n0.333334 0.666668 0.083706 I\n0.333334 0.666668 0.583636 I\n0.666668 0.333333 0.166364 I\n",
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"volume": 656.7165857348949,
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"formula_full": "Cd6 I12",
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},
{
"id": "jvasp-30344",
"created_at": "2022-09-04T14:37:06.941113Z",
"updated_at": "2022-09-04T14:37:06.941123Z",
"structure_string": "Mn5 Sn1 O12\n1.0\n2.536610 4.406203 0.481266\n-2.564604 4.409669 0.240633\n0.427070 0.741840 8.992596\nMn Sn O\n5 1 12\ndirect\n0.166928 0.666143 0.500000 Mn\n0.666667 0.666668 0.000000 Mn\n0.333334 0.333331 0.000000 Mn\n0.833073 0.333856 0.500001 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Sn\n0.037299 0.356889 0.887914 O\n0.319592 -0.000000 0.112088 O\n0.605810 0.356889 0.112087 O\n0.798867 0.666859 0.603543 O\n0.131535 -0.000000 0.604977 O\n0.201133 0.333140 0.396457 O\n0.534274 0.666859 0.396457 O\n0.680407 -0.000000 0.887913 O\n0.394190 0.643110 0.887914 O\n0.962702 0.643110 0.112087 O\n0.465727 0.333140 0.603543 O\n0.868464 -0.000000 0.395024 O\n",
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"volume": 200.38354270372534,
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"formula_full": "Mn5 Sn1 O12",
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"spacegroup": 12
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{
"id": "jvasp-13127",
"created_at": "2022-09-04T14:37:08.084358Z",
"updated_at": "2022-09-04T14:37:08.084380Z",
"structure_string": "U3 Al12 Co3\n1.0\n4.589168 -7.948674 -0.000000\n4.589168 7.948674 -0.000000\n-0.000000 -0.000000 4.100397\nU Al Co\n3 12 3\ndirect\n0.589912 0.589912 0.000000 U\n0.000000 0.410088 0.000000 U\n0.410088 0.000000 0.000000 U\n0.184416 0.704798 0.500000 Al\n0.520383 0.815585 0.500000 Al\n0.295202 0.479617 0.500000 Al\n0.704798 0.184416 0.500000 Al\n0.479617 0.295202 0.500000 Al\n0.815585 0.520383 0.500000 Al\n0.168947 0.000000 0.500000 Al\n0.000000 0.168947 0.500000 Al\n0.831053 0.831053 0.500000 Al\n0.743548 0.000000 0.000000 Al\n0.000000 0.743548 0.000000 Al\n0.256452 0.256452 0.000000 Al\n0.333333 0.666667 0.000000 Co\n0.666667 0.333333 0.000000 Co\n0.000000 0.000000 0.000000 Co\n",
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"formula_full": "U3 Al12 Co3",
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}
]
}