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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4207",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4205",
"results": [
{
"id": "jvasp-106477",
"created_at": "2022-09-04T14:36:48.580018Z",
"updated_at": "2022-09-04T14:36:48.580041Z",
"structure_string": "P2 Br2\n1.0\n3.510838 -0.110963 -0.206340\n-1.655740 5.398192 -0.543824\n0.337748 -0.162799 5.781450\nP Br\n2 2\ndirect\n0.215515 0.431698 0.373149 P\n0.784486 0.568302 0.626852 P\n0.603264 0.214807 0.801470 Br\n0.396737 0.785193 0.198530 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 3.3926395078930045,
"density_atomic": 0.03685311157620462,
"volume": 108.53900332754336,
"volume_molar": 16.340928899714363,
"formula_full": "P2 Br2",
"formula_reduced": "PBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.8880748025000003,
"spacegroup": 12
},
{
"id": "jvasp-81295",
"created_at": "2022-09-04T14:36:48.582434Z",
"updated_at": "2022-09-04T14:36:48.582454Z",
"structure_string": "Ca1 Sc1 Hg2\n1.0\n-11.372141 2.284043 -2.835880\n-7.561020 0.119952 0.806698\n-6.124522 4.182979 -1.681387\nCa Sc Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 -0.000000 Sc\n0.698082 0.035110 0.035110 Hg\n0.301919 -0.035110 -0.035110 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sc",
"Hg"
],
"chemical_system": "Ca-Hg-Sc",
"density": 9.179460464935607,
"density_atomic": 0.04547792786299447,
"volume": 87.95475493189329,
"volume_molar": 13.24189786777914,
"formula_full": "Ca1 Sc1 Hg2",
"formula_reduced": "CaScHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1276475,
"spacegroup": 12
},
{
"id": "jvasp-43891",
"created_at": "2022-09-04T14:36:48.656159Z",
"updated_at": "2022-09-04T14:36:48.656191Z",
"structure_string": "Li4 V2 O4 F2\n1.0\n2.876808 -0.000215 -0.000047\n-1.438061 4.898386 -0.012369\n-1.438423 -1.348468 7.496421\nLi V O F\n4 2 4 2\ndirect\n0.166669 0.500003 0.833337 Li\n0.492365 0.478218 0.506507 Li\n0.840967 0.521783 0.160158 Li\n0.666665 -0.000000 0.333332 Li\n0.343183 0.014261 0.672105 V\n0.990154 0.985739 -0.005439 V\n0.755811 0.762015 0.749603 O\n0.577527 0.237985 0.917063 O\n0.903623 0.226759 0.580478 O\n0.429711 0.773237 0.086187 O\n0.082820 0.745916 0.419717 F\n0.250515 0.254077 0.246949 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.642973699544253,
"density_atomic": 0.11365066765307767,
"volume": 105.58670923632747,
"volume_molar": 5.298816878386302,
"formula_full": "Li4 V2 O4 F2",
"formula_reduced": "Li2VO2F",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.490608580416667,
"spacegroup": 12
},
{
"id": "jvasp-49947",
"created_at": "2022-09-04T14:36:48.835241Z",
"updated_at": "2022-09-04T14:36:48.835268Z",
"structure_string": "Na4 Ir2 O6\n1.0\n5.501519 -0.000626 -0.000098\n-2.740281 4.770483 0.000035\n-0.934253 -1.613788 5.253253\nNa Ir O\n4 2 6\ndirect\n0.500255 0.000143 0.500157 Na\n0.840995 0.659427 0.500158 Na\n0.159510 0.340917 0.500161 Na\n0.000234 0.500169 0.000153 Na\n0.667238 0.833166 0.000162 Ir\n0.333241 0.167181 0.000170 Ir\n0.564114 0.430289 0.792971 O\n0.436358 0.570054 0.207362 O\n0.706464 0.206402 0.208956 O\n0.930359 0.064044 0.792972 O\n0.070122 0.936293 0.207355 O\n0.294021 0.793952 0.791375 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Ir",
"O"
],
"chemical_system": "Ir-Na-O",
"density": 6.894417847516769,
"density_atomic": 0.08704385334109685,
"volume": 137.8615438010983,
"volume_molar": 6.918513518009329,
"formula_full": "Na4 Ir2 O6",
"formula_reduced": "Na2IrO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.6992999333333332,
"spacegroup": 12
},
{
"id": "jvasp-104642",
"created_at": "2022-09-04T14:36:49.063261Z",
"updated_at": "2022-09-04T14:36:49.063293Z",
"structure_string": "Ho4 Co2 Si4\n1.0\n4.963939 -0.009091 2.513990\n3.259701 3.743677 2.513990\n-0.001506 -0.000684 9.937293\nHo Co Si\n4 2 4\ndirect\n0.000417 0.000418 0.328476 Ho\n-0.000418 -0.000417 0.671523 Ho\n0.813670 0.813672 0.106288 Ho\n0.186328 0.186331 0.893711 Ho\n0.726844 0.726847 0.623921 Co\n0.273154 0.273155 0.376079 Co\n0.651805 0.651808 0.433309 Si\n0.348193 0.348195 0.566691 Si\n0.507495 0.507496 0.125735 Si\n0.492503 0.492506 0.874265 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ho",
"Co",
"Si"
],
"chemical_system": "Co-Ho-Si",
"density": 7.988765005777914,
"density_atomic": 0.05405985326905936,
"volume": 184.98015431579805,
"volume_molar": 11.139765270962574,
"formula_full": "Ho4 Co2 Si4",
"formula_reduced": "Ho2CoSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.4784718466666664,
"spacegroup": 12
},
{
"id": "jvasp-11130",
"created_at": "2022-09-04T14:36:49.139881Z",
"updated_at": "2022-09-04T14:36:49.139901Z",
"structure_string": "Sr2 Mg1 B2 O6\n1.0\n5.178961 0.000000 0.000000\n-2.589481 3.989590 -2.181231\n0.000000 -0.014219 6.104801\nSr Mg B O\n2 1 2 6\ndirect\n0.709469 0.418939 0.182374 Sr\n0.290531 0.581061 0.817626 Sr\n0.500000 -0.000000 0.500000 Mg\n0.936875 0.873750 0.737063 B\n0.063125 0.126250 0.262937 B\n0.767771 0.535542 0.664023 O\n0.207495 0.952969 0.231241 O\n0.254526 0.047031 0.768759 O\n0.792505 0.047031 0.768759 O\n0.745474 0.952969 0.231241 O\n0.232229 0.464457 0.335977 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"B",
"O"
],
"chemical_system": "B-Mg-O-Sr",
"density": 4.180643490869196,
"density_atomic": 0.08731797532723433,
"volume": 125.97635204866137,
"volume_molar": 6.8967938588032105,
"formula_full": "Sr2 Mg1 B2 O6",
"formula_reduced": "Sr2Mg(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 2.0801907124242422,
"spacegroup": 12
},
{
"id": "jvasp-104790",
"created_at": "2022-09-04T14:36:49.558933Z",
"updated_at": "2022-09-04T14:36:49.558971Z",
"structure_string": "Na2 Mn2 O4\n1.0\n3.130125 -0.027276 -0.537017\n-0.267978 4.764115 1.879174\n0.030969 -0.007093 6.001927\nNa Mn O\n2 2 4\ndirect\n0.250017 0.750018 0.499999 Na\n0.750018 0.250017 0.500000 Na\n0.500012 0.500011 -0.000001 Mn\n0.000011 0.000011 0.000000 Mn\n0.138363 0.217764 0.208354 O\n0.638364 0.717764 0.208353 O\n0.861660 0.782259 0.791645 O\n0.361659 0.282259 0.791646 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.0755487759126146,
"density_atomic": 0.08930877593939913,
"volume": 89.57686314532444,
"volume_molar": 6.743055983755001,
"formula_full": "Na2 Mn2 O4",
"formula_reduced": "NaMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6297133103448274,
"spacegroup": 12
},
{
"id": "jvasp-80965",
"created_at": "2022-09-04T14:36:49.831733Z",
"updated_at": "2022-09-04T14:36:49.831753Z",
"structure_string": "Mn1 Hg1 Pd2\n1.0\n-10.820501 1.868599 -2.556900\n-7.525214 0.952248 0.737965\n-6.726912 3.495623 -0.782107\nMn Hg Pd\n1 1 2\ndirect\n0.000001 0.999996 0.000002 Mn\n0.499999 -0.000000 0.000001 Hg\n0.714909 0.025866 0.025862 Pd\n0.285093 0.974132 0.974136 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Hg",
"Pd"
],
"chemical_system": "Hg-Mn-Pd",
"density": 11.681465610199337,
"density_atomic": 0.060078761532102606,
"volume": 66.57926858000613,
"volume_molar": 10.023743177166056,
"formula_full": "Mn1 Hg1 Pd2",
"formula_reduced": "MnHgPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4753008103448275,
"spacegroup": 12
},
{
"id": "jvasp-2817",
"created_at": "2022-09-04T14:36:50.147151Z",
"updated_at": "2022-09-04T14:36:50.147170Z",
"structure_string": "K4 Ir1 O4\n1.0\n5.420683 -0.016847 1.184933\n1.731159 5.136846 1.184933\n-0.038612 -0.027642 6.087137\nK Ir O\n4 1 4\ndirect\n0.621918 0.621918 0.144808 K\n0.190521 0.190521 0.410277 K\n0.378082 0.378082 0.855191 K\n0.809479 0.809479 0.589722 K\n0.000000 0.000000 0.000000 Ir\n0.106339 0.675328 0.202521 O\n0.675328 0.106339 0.202521 O\n0.324672 0.893662 0.797478 O\n0.893661 0.324672 0.797479 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Ir",
"O"
],
"chemical_system": "Ir-K-O",
"density": 4.0295483527228395,
"density_atomic": 0.052931274321372866,
"volume": 170.03180284979334,
"volume_molar": 11.377282782644718,
"formula_full": "K4 Ir1 O4",
"formula_reduced": "K4IrO4",
"formula_anonymous": "AB4C4",
"energy_above_hull": 1.2314574555555555,
"spacegroup": 12
},
{
"id": "jvasp-101641",
"created_at": "2022-09-04T14:36:50.065718Z",
"updated_at": "2022-09-04T14:36:50.065738Z",
"structure_string": "Rb2 Tl2 O2\n1.0\n6.680223 -0.007050 1.951741\n5.646498 3.569664 1.951741\n-0.003147 -0.000909 6.436237\nRb Tl O\n2 2 2\ndirect\n0.874779 0.874777 0.343795 Rb\n0.125222 0.125221 0.656205 Rb\n0.640533 0.640532 0.148425 Tl\n0.359467 0.359467 0.851575 Tl\n0.248613 0.248613 0.214632 O\n0.751387 0.751386 0.785368 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"Tl",
"O"
],
"chemical_system": "O-Rb-Tl",
"density": 6.6061181287922075,
"density_atomic": 0.039021979623236815,
"volume": 153.75949805547845,
"volume_molar": 15.432689007950623,
"formula_full": "Rb2 Tl2 O2",
"formula_reduced": "RbTlO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-102622",
"created_at": "2022-09-04T14:36:50.301397Z",
"updated_at": "2022-09-04T14:36:50.301418Z",
"structure_string": "Nd4 Ge4 Ru2\n1.0\n5.328305 -0.004342 2.763368\n3.558079 3.966223 2.763368\n-0.007386 -0.003293 10.624468\nNd Ge Ru\n4 4 2\ndirect\n0.003835 0.003835 0.325988 Nd\n-0.003836 -0.003835 0.674012 Nd\n0.815132 0.815132 0.108552 Nd\n0.184867 0.184868 0.891449 Nd\n0.654473 0.654474 0.431558 Ge\n0.345526 0.345527 0.568443 Ge\n0.505848 0.505849 0.127784 Ge\n0.494150 0.494152 0.872217 Ge\n0.723957 0.723958 0.624038 Ru\n0.276042 0.276042 0.375963 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Nd",
"Ge",
"Ru"
],
"chemical_system": "Ge-Nd-Ru",
"density": 7.901682996157799,
"density_atomic": 0.04448580985895173,
"volume": 224.79078231252507,
"volume_molar": 13.537217326365443,
"formula_full": "Nd4 Ge4 Ru2",
"formula_reduced": "Nd2Ge2Ru",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.8474090800000005,
"spacegroup": 12
},
{
"id": "jvasp-56825",
"created_at": "2022-09-04T14:36:50.376393Z",
"updated_at": "2022-09-04T14:36:50.376415Z",
"structure_string": "Rb2 Hg2 Pd1 Br8\n1.0\n6.684631 0.022477 1.935016\n2.861186 6.041390 1.935016\n-0.066775 -0.042418 10.236648\nRb Hg Pd Br\n2 2 1 8\ndirect\n0.399050 0.399050 0.828077 Rb\n0.600950 0.600950 0.171924 Rb\n0.133010 0.133010 0.602040 Hg\n0.866990 0.866990 0.397961 Hg\n0.000000 0.000000 0.000000 Pd\n0.353263 0.353263 0.497171 Br\n0.894303 0.379084 0.866517 Br\n0.088242 0.088242 0.303692 Br\n0.911759 0.911759 0.696309 Br\n0.646737 0.646737 0.502830 Br\n0.105696 0.620916 0.133484 Br\n0.620916 0.105696 0.133484 Br\n0.379084 0.894304 0.866517 Br\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Rb",
"Hg",
"Pd",
"Br"
],
"chemical_system": "Br-Hg-Pd-Rb",
"density": 5.287629048457458,
"density_atomic": 0.03141350595941488,
"volume": 413.83473773336635,
"volume_molar": 19.170546476984736,
"formula_full": "Rb2 Hg2 Pd1 Br8",
"formula_reduced": "Rb2Hg2PdBr8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 0.0,
"spacegroup": 12
}
]
}