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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=3457",
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"results": [
{
"id": "jvasp-43545",
"created_at": "2022-09-04T14:35:52.430917Z",
"updated_at": "2022-09-04T14:35:52.430937Z",
"structure_string": "Li7 V5 O12\n1.0\n4.982087 0.110808 -0.080503\n2.274445 4.434002 0.080503\n-0.593399 0.947457 9.435537\nLi V O\n7 5 12\ndirect\n0.244125 0.244126 0.750000 Li\n0.157981 0.660755 0.508339 Li\n0.321753 0.853736 0.990680 Li\n0.660755 0.157982 0.991661 Li\n0.853736 0.321755 0.509320 Li\n0.752042 0.752043 0.250000 Li\n0.921531 0.921532 0.750000 Li\n0.427486 0.427486 0.250000 V\n0.508473 0.001245 0.513359 V\n0.574740 0.574741 0.750000 V\n0.078631 0.078631 0.250000 V\n0.001243 0.508473 0.986642 V\n0.775969 0.058959 0.371982 O\n0.940084 0.233436 0.872843 O\n0.233434 0.940085 0.627158 O\n0.152160 0.352088 0.374597 O\n0.352088 0.152161 0.125404 O\n0.286882 0.539561 0.874131 O\n0.539560 0.286883 0.625870 O\n0.443923 0.733349 0.370390 O\n0.733348 0.443924 0.129610 O\n0.638188 0.842902 0.877764 O\n0.842901 0.638189 0.622236 O\n0.058958 0.775968 0.128018 O\n",
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{
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"created_at": "2022-09-04T14:35:49.828075Z",
"updated_at": "2022-09-04T14:35:49.828101Z",
"structure_string": "Sr2 Ca4 I12\n1.0\n0.000000 7.186382 0.000000\n-12.454717 3.593191 -1.379834\n0.657333 0.000000 8.679060\nSr Ca I\n2 4 12\ndirect\n0.702616 0.000000 0.750000 Sr\n0.297384 0.000000 0.250000 Sr\n0.404239 0.657733 0.895947 Ca\n0.938027 0.657733 0.395947 Ca\n0.061972 0.342268 0.604053 Ca\n0.595760 0.342267 0.104053 Ca\n0.898676 0.211632 0.317135 I\n0.889692 0.211632 0.817135 I\n0.274292 0.450925 0.380181 I\n0.274782 0.450926 0.880181 I\n0.725217 0.549075 0.119820 I\n0.101324 0.788368 0.682866 I\n0.110307 0.788368 0.182866 I\n0.436250 0.158501 0.532781 I\n0.563750 0.841499 0.467219 I\n0.594749 0.841500 0.967219 I\n0.725707 0.549075 0.619820 I\n0.405250 0.158501 0.032781 I\n",
"nsites": 18,
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"volume": 770.2955358061181,
"volume_molar": 25.77126746346702,
"formula_full": "Sr2 Ca4 I12",
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"spacegroup": 15
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{
"id": "jvasp-58480",
"created_at": "2022-09-04T14:37:53.707887Z",
"updated_at": "2022-09-04T14:37:53.707915Z",
"structure_string": "Mn4 Zn2 S8\n1.0\n6.274354 -0.000000 -3.294117\n-1.729452 6.031296 -3.294117\n-0.289831 -0.384620 7.070443\nMn Zn S\n4 2 8\ndirect\n0.000000 -0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 -0.000000 0.499999 Mn\n0.000000 0.000000 0.000000 Mn\n0.375000 0.625000 0.749999 Zn\n0.625000 0.375000 0.249999 Zn\n0.759403 0.778263 0.518804 S\n0.759458 0.240597 0.981194 S\n0.221737 0.240597 0.981194 S\n0.240597 0.221737 0.481194 S\n0.240597 0.759459 0.481194 S\n0.240542 0.759404 0.018805 S\n0.759403 0.240542 0.518804 S\n0.778263 0.759404 0.018805 S\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.0057233397742475,
"density_atomic": 0.055629695292557554,
"volume": 251.6641503494447,
"volume_molar": 10.825406697501137,
"formula_full": "Mn4 Zn2 S8",
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"formula_anonymous": "AB2C4",
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{
"id": "jvasp-119376",
"created_at": "2022-09-04T14:38:50.751367Z",
"updated_at": "2022-09-04T14:38:50.751391Z",
"structure_string": "Na8 Mn4 O12\n1.0\n9.328777 -0.001504 3.521269\n7.928251 4.918385 1.857765\n-0.001156 0.004059 5.379035\nNa Mn O\n8 4 12\ndirect\n0.994146 0.994146 0.505854 Na\n0.422510 0.422511 0.577490 Na\n0.827489 0.827489 0.672511 Na\n0.255853 0.255854 0.744146 Na\n0.744147 0.744146 0.255854 Na\n0.672510 0.672511 0.827490 Na\n0.577489 0.577489 0.422511 Na\n0.505853 0.505854 0.994146 Na\n0.165795 0.165795 0.334205 Mn\n0.084204 0.084205 0.915795 Mn\n0.915796 0.915795 0.084205 Mn\n0.334205 0.334205 0.165796 Mn\n0.196455 0.803544 0.803545 O\n0.155582 0.658139 0.296548 O\n0.658139 0.155582 0.889731 O\n0.094418 0.591860 0.953454 O\n0.591860 0.094419 0.360268 O\n0.053545 0.446455 0.446456 O\n0.446455 0.053545 0.053545 O\n0.360269 0.953453 0.591861 O\n0.953453 0.360269 0.094419 O\n0.889731 0.296547 0.658139 O\n0.296548 0.889731 0.155582 O\n0.803544 0.196456 0.196456 O\n",
"nsites": 24,
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"elements": [
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"density": 4.005664358615745,
"density_atomic": 0.09719322171185203,
"volume": 246.93080008349355,
"volume_molar": 6.196050150342576,
"formula_full": "Na8 Mn4 O12",
"formula_reduced": "Na2MnO3",
"formula_anonymous": "AB2C3",
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"spacegroup": 70
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{
"id": "jvasp-59194",
"created_at": "2022-09-04T14:38:14.504262Z",
"updated_at": "2022-09-04T14:38:14.504298Z",
"structure_string": "Fe6 Si4 O16\n1.0\n0.000000 5.894960 0.042616\n4.833380 0.000000 0.000000\n0.000000 -0.270679 -10.236935\nFe Si O\n6 4 16\ndirect\n0.266404 0.010385 0.727963 Fe\n0.733596 0.510385 0.772036 Fe\n0.266404 0.489615 0.227963 Fe\n0.733596 0.989615 0.272037 Fe\n-0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.245733 0.937343 0.406702 Si\n0.754267 0.437343 0.093298 Si\n0.245733 0.562657 0.906701 Si\n0.754266 0.062657 0.593298 Si\n0.768480 0.726078 0.599555 O\n0.231520 0.273922 0.400444 O\n0.761723 0.310369 0.944204 O\n0.761723 0.189631 0.444204 O\n0.238277 0.689631 0.055795 O\n0.231520 0.226078 0.900444 O\n0.547745 0.306357 0.178213 O\n0.977611 0.270404 0.164095 O\n0.452255 0.693643 0.821787 O\n0.547745 0.193643 0.678212 O\n0.022389 0.770404 0.335905 O\n0.768480 0.773921 0.099555 O\n0.977611 0.229596 0.664095 O\n0.022389 0.729596 0.835904 O\n0.452255 0.806357 0.321787 O\n0.238277 0.810369 0.555795 O\n",
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"elements": [
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"Si",
"O"
],
"chemical_system": "Fe-O-Si",
"density": 4.005292321409044,
"density_atomic": 0.08915683085144524,
"volume": 291.62095323152164,
"volume_molar": 6.75454780356,
"formula_full": "Fe6 Si4 O16",
"formula_reduced": "Fe3(SiO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 3.2385162846153843,
"spacegroup": 14
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{
"id": "jvasp-22687",
"created_at": "2022-09-04T14:36:46.820663Z",
"updated_at": "2022-09-04T14:36:46.820683Z",
"structure_string": "Sr2 H1 N1\n1.0\n1.902922 1.098652 6.288185\n-1.902922 1.098652 6.288185\n0.000000 -2.197305 6.288185\nSr H N\n2 1 1\ndirect\n0.760744 0.760744 0.760744 Sr\n0.239255 0.239255 0.239255 Sr\n0.000000 0.000000 0.000000 H\n0.500000 0.500000 0.500000 N\n",
"nsites": 4,
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"elements": [
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"H",
"N"
],
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"density": 4.0052213691735155,
"density_atomic": 0.050710998414458,
"volume": 78.87835233114986,
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"formula_full": "Sr2 H1 N1",
"formula_reduced": "Sr2HN",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-116414",
"created_at": "2022-09-04T14:38:31.276795Z",
"updated_at": "2022-09-04T14:38:31.276811Z",
"structure_string": "Y1 V1 O4\n1.0\n5.338806 -1.948227 -0.610413\n5.338806 1.948227 -0.610413\n-0.920712 0.000000 4.167940\nY V O\n1 1 4\ndirect\n0.250296 0.250296 0.707345 Y\n0.001476 0.001476 0.085146 V\n0.015749 0.015749 0.488154 O\n0.825984 0.825984 0.818217 O\n0.174740 0.174740 0.142360 O\n0.481237 0.481237 0.008777 O\n",
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"volume": 84.5133411108168,
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"formula_full": "Y1 V1 O4",
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},
{
"id": "jvasp-18808",
"created_at": "2022-09-04T14:36:59.115867Z",
"updated_at": "2022-09-04T14:36:59.115891Z",
"structure_string": "Y2 Al2 Si2\n1.0\n4.017023 0.000000 0.000000\n-2.008511 5.179766 0.000000\n-0.000000 -0.000000 5.737490\nY Al Si\n2 2 2\ndirect\n0.693308 0.386619 0.250000 Y\n0.306692 0.613382 0.750000 Y\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.601480 0.202961 0.750000 Si\n0.398520 0.797039 0.250000 Si\n",
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],
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"volume": 119.38132658870421,
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},
{
"id": "jvasp-7644",
"created_at": "2022-09-04T14:37:02.863192Z",
"updated_at": "2022-09-04T14:37:02.863210Z",
"structure_string": "K1 Cd1 F3\n1.0\n4.421621 0.000000 -0.000000\n-0.000000 4.421621 -0.000000\n0.000000 0.000000 4.421621\nK Cd F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Cd\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:37:55.628187Z",
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"structure_string": "Ba2\n1.0\n3.846988 0.000608 0.000258\n0.000855 5.440867 0.000004\n0.000372 0.000004 5.440463\nBa\n2\ndirect\n0.999999 0.000001 0.999999 Ba\n0.000000 0.499999 0.500000 Ba\n",
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{
"id": "jvasp-120383",
"created_at": "2022-09-04T14:38:53.125453Z",
"updated_at": "2022-09-04T14:38:53.125480Z",
"structure_string": "As2 P1\n1.0\n5.380414 0.000000 -1.230640\n0.000000 2.812861 0.000000\n-1.534893 0.000000 5.304696\nAs P\n2 1\ndirect\n-0.522469 0.000000 -0.448971 As\n0.217499 0.000000 0.810781 As\n0.704970 0.000000 0.038190 P\n",
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{
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"created_at": "2022-09-04T14:36:10.297803Z",
"updated_at": "2022-09-04T14:36:10.297827Z",
"structure_string": "Mg6 B1 W1\n1.0\n6.030972 0.296727 0.000000\n-2.758514 4.777885 0.000000\n0.000000 0.000000 4.764026\nMg B W\n6 1 1\ndirect\n0.643043 0.321109 0.250000 Mg\n0.643044 0.821935 0.250000 Mg\n0.339406 0.176458 0.750001 Mg\n0.339406 0.662950 0.750001 Mg\n0.850664 0.175334 0.750001 Mg\n0.882101 0.691052 0.750001 Mg\n0.162927 0.831463 0.250000 B\n0.139414 0.319707 0.250000 W\n",
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}
]
}