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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=564",
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"results": [
{
"id": "jvasp-31842",
"created_at": "2022-09-04T14:38:07.382936Z",
"updated_at": "2022-09-04T14:38:07.382946Z",
"structure_string": "Ti2 S2 Cl12 O2\n1.0\n6.135858 0.030862 -0.160616\n-2.965276 6.602183 -2.308994\n-0.025999 0.049465 10.771080\nTi S Cl O\n2 2 12 2\ndirect\n0.928971 0.761349 0.854321 Ti\n0.071028 0.238651 0.145679 Ti\n0.363227 0.013561 0.304197 S\n0.636772 0.986439 0.695803 S\n0.181388 0.672759 0.941732 Cl\n0.956926 0.188159 0.668426 Cl\n0.818611 0.327241 0.058268 Cl\n0.207698 0.118356 0.934734 Cl\n0.041461 0.724559 0.655246 Cl\n0.403793 0.522343 0.195831 Cl\n0.545576 0.767284 0.507403 Cl\n0.792302 0.881644 0.065266 Cl\n0.454423 0.232716 0.492597 Cl\n0.043073 0.811840 0.331573 Cl\n0.596206 0.477657 0.804169 Cl\n0.958539 0.275441 0.344754 Cl\n0.693437 0.896848 0.788563 O\n0.306563 0.103152 0.211437 O\n",
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{
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"structure_string": "Ti2 S2 Cl2\n1.0\n4.834351 -0.000021 -0.000012\n0.000020 7.159944 -0.045445\n0.000018 0.021372 3.430949\nTi S Cl\n2 2 2\ndirect\n0.500000 0.889177 -0.000016 Ti\n0.000001 0.110822 0.500016 Ti\n0.500001 0.132622 0.500038 S\n-0.000000 0.867377 -0.000039 S\n0.499999 0.644606 0.499924 Cl\n0.000001 0.355393 0.000076 Cl\n",
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"volume": 118.76247451031091,
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"formula_full": "Ti2 S2 Cl2",
"formula_reduced": "TiSCl",
"formula_anonymous": "ABC",
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"spacegroup": 59
},
{
"id": "jvasp-18867",
"created_at": "2022-09-04T14:37:03.874611Z",
"updated_at": "2022-09-04T14:37:03.874628Z",
"structure_string": "Ti1 Sb1 Ru1\n1.0\n3.770755 -0.000000 2.177047\n1.256919 3.555102 2.177047\n-0.000000 -0.000000 4.354092\nTi Sb Ru\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 0.500000 Sb\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 3,
"nelements": 3,
"elements": [
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"Ru"
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"density": 7.701131827753602,
"density_atomic": 0.05139765113105273,
"volume": 58.3684260658266,
"volume_molar": 11.716762590268694,
"formula_full": "Ti1 Sb1 Ru1",
"formula_reduced": "TiSbRu",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-14786",
"created_at": "2022-09-04T14:38:32.658960Z",
"updated_at": "2022-09-04T14:38:32.658982Z",
"structure_string": "Ti2 Sb4\n1.0\n5.369656 -0.018149 -1.533102\n-3.060471 4.412149 -1.533102\n0.009538 0.018149 5.584221\nTi Sb\n2 4\ndirect\n0.750001 0.750000 0.000001 Ti\n0.250000 0.250000 0.000000 Ti\n0.847068 0.652934 0.500001 Sb\n0.347067 0.847067 0.194133 Sb\n0.152934 0.347067 0.500000 Sb\n0.652934 0.152934 0.805868 Sb\n",
"nsites": 6,
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"elements": [
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"density": 7.3151894481637765,
"density_atomic": 0.04535524977929639,
"volume": 132.2889859320951,
"volume_molar": 13.277714904678941,
"formula_full": "Ti2 Sb4",
"formula_reduced": "TiSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.962006844444445,
"spacegroup": 140
},
{
"id": "jvasp-20425",
"created_at": "2022-09-04T14:38:35.428727Z",
"updated_at": "2022-09-04T14:38:35.428757Z",
"structure_string": "Ti2 Sb2\n1.0\n2.024891 -3.507213 0.000000\n2.024891 3.507213 -0.000000\n0.000000 0.000000 6.251538\nTi Sb\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
"nsites": 4,
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"density": 6.344441701312491,
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"volume": 88.7933953879308,
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"formula_full": "Ti2 Sb2",
"formula_reduced": "TiSb",
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"spacegroup": 194
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{
"id": "jvasp-20613",
"created_at": "2022-09-04T14:38:12.477913Z",
"updated_at": "2022-09-04T14:38:12.477939Z",
"structure_string": "Ti2 Sb2\n1.0\n2.024891 -3.507213 0.000000\n2.024891 3.507213 -0.000000\n0.000000 0.000000 6.251538\nTi Sb\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n",
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"volume": 88.7933953879308,
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"formula_full": "Ti2 Sb2",
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"spacegroup": 194
},
{
"id": "jvasp-56272",
"created_at": "2022-09-04T14:37:49.089580Z",
"updated_at": "2022-09-04T14:37:49.089600Z",
"structure_string": "Ti2 Sb2\n1.0\n1.908617 -3.305821 -0.000000\n1.908617 3.305821 -0.000000\n-0.000000 -0.000000 7.049966\nTi Sb\n2 2\ndirect\n0.333334 0.666668 0.250000 Ti\n0.666668 0.333334 0.750000 Ti\n0.000000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n",
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"formula_full": "Ti2 Sb2",
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"spacegroup": 194
},
{
"id": "jvasp-3078",
"created_at": "2022-09-04T14:37:03.645655Z",
"updated_at": "2022-09-04T14:37:03.645679Z",
"structure_string": "Ti2 S6\n1.0\n0.000000 5.016565 0.036280\n3.415175 0.000000 0.000000\n0.000000 -1.018683 -8.798092\nTi S\n2 6\ndirect\n0.282571 0.749999 0.652445 Ti\n0.717429 0.250000 0.347555 Ti\n0.881491 0.749999 0.174012 S\n0.118509 0.250000 0.825988 S\n0.238664 0.250000 0.449748 S\n0.761335 0.749999 0.550252 S\n0.525864 0.250000 0.822196 S\n0.474136 0.749999 0.177804 S\n",
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"volume": 150.60663076018767,
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"formula_full": "Ti2 S6",
"formula_reduced": "TiS3",
"formula_anonymous": "AB3",
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"spacegroup": 11
},
{
"id": "jvasp-78486",
"created_at": "2022-09-04T14:37:01.292875Z",
"updated_at": "2022-09-04T14:37:01.292901Z",
"structure_string": "Ti1 S2\n1.0\n2.956465 1.707018 -0.001079\n2.956465 -1.707018 -0.001079\n0.004033 0.000000 -5.714912\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333068 0.333068 0.248377 S\n0.666930 0.666930 0.751623 S\n",
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"formula_full": "Ti1 S2",
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"spacegroup": 164
},
{
"id": "jvasp-93361",
"created_at": "2022-09-04T14:36:31.182992Z",
"updated_at": "2022-09-04T14:36:31.183018Z",
"structure_string": "Ti2 S4\n1.0\n-3.359948 -0.018373 0.595864\n-1.716583 -2.949540 0.002998\n0.363333 -2.174217 11.607129\nTi S\n2 4\ndirect\n0.081052 0.582495 0.754289 Ti\n-0.081052 0.417505 0.245712 Ti\n0.787293 0.290421 0.632279 S\n0.212708 0.709579 0.367721 S\n0.375015 0.874618 0.876104 S\n0.624986 0.125383 0.123896 S\n",
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{
"id": "jvasp-30549",
"created_at": "2022-09-04T14:37:30.791232Z",
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"structure_string": "Ti1 S2\n1.0\n6.522499 -0.454153 -0.268986\n5.863266 2.893329 -0.268986\n5.863266 1.154677 2.666538\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.590872 0.590873 0.590870 S\n0.409129 0.409130 0.409128 S\n",
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},
{
"id": "jvasp-106401",
"created_at": "2022-09-04T14:36:53.764115Z",
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"structure_string": "Ti3 S6\n1.0\n3.411666 0.000000 0.000000\n-1.705833 2.954590 0.000000\n-0.000000 -0.000000 17.181397\nTi S\n3 6\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.833372 Ti\n0.000000 0.000000 0.166628 Ti\n0.333334 0.666667 0.582827 S\n0.333334 0.666667 0.916193 S\n0.333334 0.666667 0.249454 S\n0.666668 0.333333 0.750546 S\n0.666668 0.333333 0.083807 S\n0.666668 0.333333 0.417173 S\n",
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"formula_full": "Ti3 S6",
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"spacegroup": 164
}
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