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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4428",
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"results": [
{
"id": "jvasp-116838",
"created_at": "2022-09-04T14:38:46.070123Z",
"updated_at": "2022-09-04T14:38:46.070153Z",
"structure_string": "Ti1 Mn1 V4 O12\n1.0\n6.464102 0.043994 1.753722\n0.265945 6.458778 1.753722\n0.007665 0.007406 5.591682\nTi Mn V O\n1 1 4 12\ndirect\n0.086290 0.913710 0.499999 Ti\n0.915645 0.084354 -0.000000 Mn\n0.803102 0.604437 0.009932 V\n0.610818 0.801119 0.509490 V\n0.395563 0.196898 -0.009933 V\n0.198881 0.389183 0.490509 V\n0.182403 0.028003 0.108469 O\n0.383575 0.332777 0.675712 O\n0.365101 0.922332 0.497290 O\n0.333970 0.387101 0.176479 O\n0.667223 0.616425 0.324287 O\n0.817599 0.971089 0.373461 O\n0.612899 0.666030 0.823520 O\n0.077669 0.634900 0.502709 O\n0.905761 0.357405 0.025148 O\n0.971997 0.817597 0.891530 O\n0.642594 0.094240 0.974852 O\n0.028910 0.182402 0.626538 O\n",
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{
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"updated_at": "2022-09-04T14:38:47.035983Z",
"structure_string": "Tb2 In2 Ge4 O14\n1.0\n5.642382 0.028986 0.676397\n-1.541286 5.427867 0.676397\n-0.026013 -0.034612 9.843209\nTb In Ge O\n2 2 4 14\ndirect\n0.709269 0.290720 0.249993 Tb\n0.709281 0.290732 0.750008 Tb\n0.315490 0.684498 0.250008 In\n0.315503 0.684511 0.749992 In\n0.772441 0.772093 0.957769 Ge\n0.227908 0.227559 0.042231 Ge\n0.227904 0.227577 0.542233 Ge\n0.772423 0.772097 0.457768 Ge\n0.387472 0.057499 0.140958 O\n0.942502 0.612529 0.859043 O\n0.940445 0.059556 0.500000 O\n0.940442 0.059559 0.000000 O\n0.942471 0.612573 0.359000 O\n0.387428 0.057530 0.641000 O\n0.406590 0.384641 0.384551 O\n0.581448 0.898839 0.856837 O\n0.615360 0.593411 0.615449 O\n0.101160 0.418633 0.643121 O\n0.406581 0.384648 0.884553 O\n0.615352 0.593420 0.115448 O\n0.101162 0.418552 0.143164 O\n0.581367 0.898841 0.356880 O\n",
"nsites": 22,
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"density_atomic": 0.07280862093475358,
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"volume_molar": 8.271191903767352,
"formula_full": "Tb2 In2 Ge4 O14",
"formula_reduced": "TbInGe2O7",
"formula_anonymous": "ABC2D7",
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"spacegroup": 5
},
{
"id": "jvasp-42733",
"created_at": "2022-09-04T14:35:41.873058Z",
"updated_at": "2022-09-04T14:35:41.873085Z",
"structure_string": "Li3 Mn5 Cr2 O12\n1.0\n5.003058 0.100319 -0.101636\n2.495485 4.337421 0.101636\n-0.817917 1.382053 9.703920\nLi Mn Cr O\n3 5 2 12\ndirect\n0.330741 0.827592 0.989494 Li\n0.827593 0.330741 0.510506 Li\n0.924019 0.924020 0.750000 Li\n0.064698 0.064698 0.250000 Mn\n0.415087 0.415087 0.250000 Mn\n0.577946 0.577946 0.750000 Mn\n0.507734 0.010840 0.511307 Mn\n0.010840 0.507733 0.988693 Mn\n0.255257 0.255257 0.750000 Cr\n0.764145 0.764146 0.250000 Cr\n0.709266 0.465349 0.144847 O\n0.612811 0.853326 0.864130 O\n0.465348 0.709266 0.355153 O\n0.779452 0.044821 0.374128 O\n0.232485 0.963982 0.635139 O\n0.131809 0.358991 0.360356 O\n0.298031 0.542850 0.860299 O\n0.358992 0.131810 0.139644 O\n0.044821 0.779452 0.125872 O\n0.963983 0.232486 0.864861 O\n0.542850 0.298031 0.639701 O\n0.853326 0.612812 0.635870 O\n",
"nsites": 22,
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"elements": [
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"density_atomic": 0.10642048413421225,
"volume": 206.72711817637185,
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"formula_full": "Li3 Mn5 Cr2 O12",
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"formula_anonymous": "A2B3C5D12",
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{
"id": "jvasp-60794",
"created_at": "2022-09-04T14:35:42.955238Z",
"updated_at": "2022-09-04T14:35:42.955270Z",
"structure_string": "Ca1 B2 H10 N2\n1.0\n2.132107 4.557572 0.013859\n-2.132107 4.557572 0.013859\n0.000000 0.378571 6.328609\nCa B H N\n1 2 10 2\ndirect\n0.600110 0.399889 0.000000 Ca\n0.256644 0.085991 0.784243 B\n0.914008 0.743355 0.215758 B\n0.007884 0.144694 0.696331 H\n0.855306 -0.007885 0.303669 H\n0.212318 0.485795 0.257484 H\n0.514205 0.787681 0.742516 H\n0.199586 0.093455 0.979658 H\n0.906544 0.800414 0.020342 H\n0.476161 0.255030 0.578294 H\n0.744970 0.523839 0.421706 H\n0.419583 0.891094 0.316210 H\n0.108906 0.580417 0.683791 H\n0.330713 0.332943 0.716280 N\n0.667056 0.669286 0.283721 N\n",
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"density_atomic": 0.12198023641826275,
"volume": 122.97074051050303,
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{
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"created_at": "2022-09-04T14:35:43.162507Z",
"updated_at": "2022-09-04T14:35:43.162527Z",
"structure_string": "V6 O7 F5\n1.0\n4.656654 -0.106045 -0.016038\n-0.106045 4.656654 0.016038\n-0.032071 0.032071 9.009244\nV O F\n6 7 5\ndirect\n0.985321 0.003391 0.008270 V\n0.027135 0.027135 0.333333 V\n0.003392 0.985321 0.658395 V\n0.518612 0.457414 0.153983 V\n0.499081 0.499081 0.833333 V\n0.457414 0.518612 0.512683 V\n0.808685 0.191542 0.168081 O\n0.694551 0.703424 0.667790 O\n0.703425 0.694550 0.998874 O\n0.300532 0.287046 0.997675 O\n0.318970 0.318970 0.333333 O\n0.191542 0.808685 0.498586 O\n0.287047 0.300532 0.668991 O\n0.797364 0.195608 0.832499 F\n0.210084 0.797100 0.168686 F\n0.195609 0.797363 0.834167 F\n0.704140 0.704140 0.333333 F\n0.797100 0.210084 0.497981 F\n",
"nsites": 18,
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"elements": [
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"formula_anonymous": "A5B6C7",
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},
{
"id": "jvasp-50369",
"created_at": "2022-09-04T14:35:44.626911Z",
"updated_at": "2022-09-04T14:35:44.626931Z",
"structure_string": "Hf8 N8 O4\n1.0\n5.425372 0.000918 0.000984\n2.711705 4.767146 0.000206\n2.710510 1.483828 9.754398\nHf N O\n8 8 4\ndirect\n0.417737 0.438458 0.713916 Hf\n0.907498 0.956571 0.211991 Hf\n0.326627 0.294198 0.036099 Hf\n0.170476 0.164673 0.463861 Hf\n0.820721 0.812239 0.534182 Hf\n0.049591 0.086034 0.784238 Hf\n0.679076 0.672459 0.963079 Hf\n0.565203 0.578282 0.285023 Hf\n0.624205 0.333979 0.121073 N\n0.587581 0.868836 0.374874 N\n0.081844 0.381905 0.873219 N\n0.329834 0.916784 0.127034 N\n0.675055 0.076555 0.881072 N\n0.883280 0.174188 0.367022 N\n0.835128 0.422065 0.628918 N\n0.136724 0.828635 0.619175 N\n0.934297 0.625382 0.124044 O\n0.382269 0.690604 0.865119 O\n0.444636 0.125340 0.624053 O\n0.188603 0.560110 0.382991 O\n",
"nsites": 20,
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"elements": [
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],
"chemical_system": "Hf-N-O",
"density": 10.558857957080523,
"density_atomic": 0.07928687111633831,
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"volume_molar": 7.5953820288401355,
"formula_full": "Hf8 N8 O4",
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"spacegroup": 5
},
{
"id": "jvasp-50463",
"created_at": "2022-09-04T14:35:44.522822Z",
"updated_at": "2022-09-04T14:35:44.522848Z",
"structure_string": "Li4 Cu1 Si2 O7\n1.0\n-0.000000 4.480706 -0.000000\n-4.736326 2.240353 0.078983\n-1.125723 -0.000000 6.677626\nLi Cu Si O\n4 1 2 7\ndirect\n0.160246 0.706512 0.435236 Li\n0.719689 0.578572 0.145177 Li\n0.298261 0.421428 0.854823 Li\n0.866758 0.293488 0.564764 Li\n0.001741 -0.000000 0.000000 Cu\n0.567667 0.846049 0.710551 Si\n0.413717 0.153951 0.289449 Si\n0.332332 0.898739 0.225961 O\n0.865765 0.735071 0.889328 O\n0.498619 0.586078 0.654708 O\n0.084696 0.413922 0.345292 O\n0.600836 0.264929 0.110672 O\n0.231071 0.101261 0.774039 O\n0.685607 -0.000000 0.500000 O\n",
"nsites": 14,
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"elements": [
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],
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"density": 3.049019057610483,
"density_atomic": 0.09906963062469387,
"volume": 141.31474914887178,
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"formula_full": "Li4 Cu1 Si2 O7",
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{
"id": "jvasp-48232",
"created_at": "2022-09-04T14:35:44.608969Z",
"updated_at": "2022-09-04T14:35:44.608994Z",
"structure_string": "Li1 Mn7 O12\n1.0\n4.969881 0.019429 -0.069343\n2.486976 4.302911 0.069343\n-0.916316 1.580819 9.664281\nLi Mn O\n1 7 12\ndirect\n0.928693 0.928693 0.750000 Li\n0.072940 0.072940 0.250000 Mn\n0.254861 0.254861 0.750000 Mn\n0.418251 0.418251 0.250000 Mn\n0.579459 0.579459 0.750000 Mn\n0.520072 -0.001037 0.509680 Mn\n0.744485 0.744485 0.250000 Mn\n-0.001037 0.520073 0.990320 Mn\n0.710190 0.455791 0.143619 O\n0.625860 0.854117 0.862609 O\n0.455791 0.710190 0.356381 O\n0.776736 0.032458 0.360405 O\n0.244581 0.966230 0.636704 O\n0.032458 0.776736 0.139595 O\n0.346015 0.144183 0.139698 O\n0.299297 0.527134 0.856220 O\n0.966229 0.244581 0.863296 O\n0.144183 0.346015 0.360302 O\n0.527134 0.299297 0.643780 O\n0.854116 0.625860 0.637390 O\n",
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"density_atomic": 0.09750808608914242,
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"formula_full": "Li1 Mn7 O12",
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"spacegroup": 5
},
{
"id": "jvasp-42804",
"created_at": "2022-09-04T14:35:45.078867Z",
"updated_at": "2022-09-04T14:35:45.078894Z",
"structure_string": "V4 O3 F9\n1.0\n-5.110101 0.000000 0.000000\n-2.555050 -4.643801 -0.009848\n0.000000 -2.767757 8.379029\nV O F\n4 3 9\ndirect\n0.715755 0.529617 0.249052 V\n0.495371 0.970383 0.500948 V\n0.270698 0.509529 0.746760 V\n0.030227 0.990471 0.003240 V\n0.536761 0.750000 0.375000 O\n0.407624 0.757462 0.083778 O\n0.415085 0.742538 0.666222 O\n0.928556 0.743911 0.573866 F\n0.922467 0.756089 0.176133 F\n0.970907 0.265085 0.122533 F\n0.579948 0.244255 0.325615 F\n0.577217 0.244807 0.930762 F\n0.485993 0.234915 0.627467 F\n0.017158 0.750000 0.875000 F\n0.072025 0.255194 0.819238 F\n0.074203 0.255746 0.424385 F\n",
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"formula_full": "V4 O3 F9",
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{
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"created_at": "2022-09-04T14:35:45.559860Z",
"updated_at": "2022-09-04T14:35:45.559880Z",
"structure_string": "H6 Se3 N3 O12\n1.0\n9.871247 0.212844 3.864074\n-1.033037 3.948414 -0.000000\n-9.871247 -0.212844 3.864074\nH Se N O\n6 3 3 12\ndirect\n0.035286 0.626025 0.227861 H\n0.227861 0.373975 0.035286 H\n0.544320 0.435342 -0.093915 H\n-0.093916 0.564657 0.544320 H\n0.226787 0.641271 -0.207137 H\n-0.207137 0.358728 0.226787 H\n0.213006 0.000000 0.213006 Se\n0.261383 0.260738 0.600580 Se\n0.600580 0.739261 0.261384 Se\n0.098476 0.735058 0.705424 N\n0.751441 0.000000 0.751441 N\n0.705424 0.264941 0.098476 N\n0.101895 0.526622 0.431347 O\n0.008994 0.736338 0.115565 O\n0.115565 0.263661 0.008994 O\n0.275717 0.191149 0.374587 O\n0.374587 0.808850 0.275717 O\n0.418313 0.540384 0.778016 O\n0.778016 0.459615 0.418313 O\n0.105582 0.058814 0.653013 O\n0.653013 -0.058814 0.105582 O\n0.734234 0.875262 0.645017 O\n0.645017 0.124737 0.734234 O\n0.431347 0.473377 0.101895 O\n",
"nsites": 24,
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"volume": 302.9097499938136,
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"formula_full": "H6 Se3 N3 O12",
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"spacegroup": 5
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{
"id": "jvasp-15834",
"created_at": "2022-09-04T14:35:45.459909Z",
"updated_at": "2022-09-04T14:35:45.459933Z",
"structure_string": "Bi2 S4\n1.0\n6.885039 -0.000000 -3.131389\n-1.110333 7.010528 -2.441314\n-1.911732 -1.963318 4.931464\nBi S\n2 4\ndirect\n0.285009 0.736436 0.492192 Bi\n0.042817 0.013565 0.007809 Bi\n0.848894 0.875001 0.250001 S\n0.602775 0.150017 0.773223 S\n0.390958 0.375000 0.250000 S\n0.079551 0.599983 0.726776 S\n",
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},
{
"id": "jvasp-42540",
"created_at": "2022-09-04T14:35:45.719793Z",
"updated_at": "2022-09-04T14:35:45.719818Z",
"structure_string": "Mn6 O7 F5\n1.0\n4.606401 -0.136063 0.006575\n-0.136063 4.606401 -0.006575\n0.013446 -0.013446 9.081400\nMn O F\n6 7 5\ndirect\n0.987020 0.002581 0.008762 Mn\n0.023773 0.023772 0.333333 Mn\n0.002582 0.987019 0.657904 Mn\n0.495303 0.495301 0.833333 Mn\n0.519820 0.466035 0.158484 Mn\n0.466036 0.519820 0.508183 Mn\n0.817003 0.188068 0.171102 O\n0.678961 0.702792 0.666372 O\n0.702793 0.678960 0.000294 O\n0.318342 0.318341 0.333333 O\n0.310630 0.287416 -0.000216 O\n0.188069 0.817002 0.495565 O\n0.287417 0.310630 0.666882 O\n0.779895 0.224725 0.497599 F\n0.224726 0.779894 0.169068 F\n0.186173 0.803761 0.843506 F\n0.707710 0.707709 0.333333 F\n0.803763 0.186172 0.823161 F\n",
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],
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"formula_full": "Mn6 O7 F5",
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"spacegroup": 5
}
]
}