HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4615",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=4613",
"results": [
{
"id": "jvasp-121035",
"created_at": "2022-09-04T14:38:53.734241Z",
"updated_at": "2022-09-04T14:38:53.734269Z",
"structure_string": "Sr1 Se1 F1\n1.0\n5.942544 0.000000 0.000000\n-0.000000 5.942544 -0.000000\n-0.000000 0.000000 8.866581\nSr Se F\n1 1 1\ndirect\n0.000000 0.000000 0.005073 Sr\n0.000000 0.000000 0.675610 Se\n0.000000 0.000000 0.243673 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sr",
"Se",
"F"
],
"chemical_system": "F-Se-Sr",
"density": 0.9841822611162833,
"density_atomic": 0.009581207742581014,
"volume": 313.1129269504651,
"volume_molar": 62.85367066237663,
"formula_full": "Sr1 Se1 F1",
"formula_reduced": "SrSeF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2105133333333332,
"spacegroup": 99
},
{
"id": "jvasp-107180",
"created_at": "2022-09-04T14:36:46.409483Z",
"updated_at": "2022-09-04T14:36:46.409499Z",
"structure_string": "K3 Na1\n1.0\n6.017793 -0.000000 3.474374\n2.005931 5.673630 3.474374\n-0.000000 -0.000000 6.948749\nK Na\n3 1\ndirect\n0.250000 0.250000 0.250000 K\n0.749999 0.750000 0.749999 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Na"
],
"chemical_system": "K-Na",
"density": 0.9818709939326308,
"density_atomic": 0.016859904552691696,
"volume": 237.2492671888464,
"volume_molar": 35.71871205545206,
"formula_full": "K3 Na1",
"formula_reduced": "K3Na",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0002099999999999,
"spacegroup": 225
},
{
"id": "jvasp-62854",
"created_at": "2022-09-04T14:36:08.812299Z",
"updated_at": "2022-09-04T14:36:08.812333Z",
"structure_string": "Mg2 B4 H16\n1.0\n5.559273 -0.000000 0.000000\n0.000000 5.559273 -0.000000\n0.000000 0.000000 5.947636\nMg B H\n2 4 16\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750149 0.250146 0.250030 B\n0.249851 0.749854 0.250030 B\n0.250146 0.249851 0.749971 B\n0.749854 0.750149 0.749971 B\n0.359489 0.827774 0.413868 H\n0.640511 0.172225 0.413868 H\n0.780531 0.964575 0.713700 H\n0.219468 0.035425 0.713700 H\n0.035425 0.780531 0.286301 H\n0.964575 0.219468 0.286301 H\n0.859677 0.672133 0.913665 H\n0.672133 0.140323 0.086336 H\n0.327866 0.859677 0.086336 H\n0.172225 0.359489 0.586132 H\n0.535473 0.719308 0.786365 H\n0.464526 0.280692 0.786365 H\n0.280692 0.535473 0.213636 H\n0.719308 0.464526 0.213636 H\n0.140323 0.327866 0.913665 H\n0.827774 0.640511 0.586132 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"B",
"H"
],
"chemical_system": "B-H-Mg",
"density": 0.9754751692799609,
"density_atomic": 0.1196857088476036,
"volume": 183.81476127624148,
"volume_molar": 5.031628937142379,
"formula_full": "Mg2 B4 H16",
"formula_reduced": "Mg(BH4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 3.1333903833333334,
"spacegroup": 118
},
{
"id": "jvasp-36578",
"created_at": "2022-09-04T14:37:30.137319Z",
"updated_at": "2022-09-04T14:37:30.137345Z",
"structure_string": "Cr8 N16\n1.0\n-8.170521 -8.170521 0.000000\n-8.170521 0.000000 -8.170521\n-0.000000 -8.170521 -8.170521\nCr N\n8 16\ndirect\n0.435830 0.692510 0.435830 Cr\n0.435830 0.435830 0.435830 Cr\n0.435830 0.435830 0.692510 Cr\n0.692510 0.435830 0.435830 Cr\n0.314170 0.057489 0.314170 Cr\n0.314170 0.314170 0.314170 Cr\n0.314170 0.314170 0.057489 Cr\n0.057489 0.314170 0.314170 Cr\n0.375000 0.375000 0.375000 N\n0.375000 0.875000 0.375000 N\n0.128952 0.128952 0.371048 N\n0.128952 0.371048 0.128952 N\n0.128952 0.371048 0.371048 N\n0.371048 0.128952 0.371048 N\n0.371048 0.128952 0.128952 N\n0.621048 0.378952 0.378952 N\n0.621048 0.621048 0.378952 N\n0.621048 0.378952 0.621048 N\n0.375000 0.375000 0.875000 N\n0.378952 0.621048 0.378952 N\n0.378952 0.621048 0.621048 N\n0.378952 0.378952 0.621048 N\n0.371048 0.371048 0.128952 N\n0.875000 0.375000 0.375000 N\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 0.9743194975716172,
"density_atomic": 0.02200047180003538,
"volume": 1090.8856963677208,
"volume_molar": 27.372780069154317,
"formula_full": "Cr8 N16",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.567294633333333,
"spacegroup": 227
},
{
"id": "jvasp-81597",
"created_at": "2022-09-04T14:37:17.217623Z",
"updated_at": "2022-09-04T14:37:17.217646Z",
"structure_string": "Li1 Pb1 Au2\n1.0\n-9.079564 0.002347 -5.238257\n-9.662116 -0.005164 6.246436\n-6.246138 9.656678 0.329789\nLi Pb Au\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 -0.000000 0.000000 Pb\n0.762369 0.000002 0.000002 Au\n0.237631 0.999998 0.999999 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Pb",
"Au"
],
"chemical_system": "Au-Li-Pb",
"density": 0.9741471749305223,
"density_atomic": 0.0038590369455346048,
"volume": 1036.5280396261837,
"volume_molar": 156.0529439078934,
"formula_full": "Li1 Pb1 Au2",
"formula_reduced": "LiPbAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.70993399,
"spacegroup": 71
},
{
"id": "jvasp-33312",
"created_at": "2022-09-04T14:38:35.381871Z",
"updated_at": "2022-09-04T14:38:35.381905Z",
"structure_string": "B6 H14 C2 O2\n1.0\n7.782414 -0.065746 1.959358\n-1.109224 5.305745 -1.221220\n-0.013989 -0.023699 5.583632\nB H C O\n6 14 2 2\ndirect\n0.638776 0.823674 0.735081 B\n0.769884 0.577350 0.610990 B\n0.762134 0.773141 0.409051 B\n0.355554 0.163989 0.259415 B\n0.224469 0.410331 0.383524 B\n0.232186 0.214509 0.585447 B\n0.326623 0.304206 0.734170 H\n0.130361 0.017306 0.612680 H\n0.127262 0.369071 0.603837 H\n0.313977 0.619734 0.409421 H\n0.116567 0.364926 0.253755 H\n0.452746 0.079395 0.338769 H\n0.444439 0.301704 0.113852 H\n0.863943 0.970355 0.381790 H\n0.867086 0.618622 0.390676 H\n0.680389 0.367936 0.585121 H\n0.877793 0.622783 0.740750 H\n0.541571 0.908240 0.655722 H\n0.549904 0.685946 0.880636 H\n0.667689 0.683415 0.260342 H\n0.748146 0.044657 0.885102 C\n0.246175 0.943022 0.109386 C\n0.162113 0.779465 0.998832 O\n0.832210 0.208223 0.995650 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"B",
"H",
"C",
"O"
],
"chemical_system": "B-C-H-O",
"density": 0.9741371788378188,
"density_atomic": 0.1042934388501453,
"volume": 230.11994104906785,
"volume_molar": 5.774227819501619,
"formula_full": "B6 H14 C2 O2",
"formula_reduced": "B3H7CO",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 4.043854270833334,
"spacegroup": 2
},
{
"id": "jvasp-117941",
"created_at": "2022-09-04T14:38:54.288360Z",
"updated_at": "2022-09-04T14:38:54.288389Z",
"structure_string": "C2 S1\n1.0\n3.768559 0.000000 0.000000\n0.000000 3.792557 0.000000\n0.000000 0.000000 6.691862\nC S\n2 1\ndirect\n0.026298 0.000000 0.245904 C\n0.026298 0.000000 0.754096 C\n0.073905 0.000000 0.000000 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"C",
"S"
],
"chemical_system": "C-S",
"density": 0.9737607170742895,
"density_atomic": 0.03136655645650152,
"volume": 95.64326910288469,
"volume_molar": 19.199240976137684,
"formula_full": "C2 S1",
"formula_reduced": "C2S",
"formula_anonymous": "AB2",
"energy_above_hull": 5.185033333333332,
"spacegroup": 25
},
{
"id": "jvasp-100983",
"created_at": "2022-09-04T14:36:31.166374Z",
"updated_at": "2022-09-04T14:36:31.166392Z",
"structure_string": "K3 Na1\n1.0\n6.213246 -0.000000 0.000000\n0.000000 6.213246 0.000000\n-0.000000 -0.000000 6.213246\nK Na\n3 1\ndirect\n-0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Na\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Na"
],
"chemical_system": "K-Na",
"density": 0.9711887956237653,
"density_atomic": 0.016676478374493833,
"volume": 239.85879453529458,
"volume_molar": 36.11158558038657,
"formula_full": "K3 Na1",
"formula_reduced": "K3Na",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-85669",
"created_at": "2022-09-04T14:36:00.608219Z",
"updated_at": "2022-09-04T14:36:00.608254Z",
"structure_string": "H12 N4\n1.0\n3.437565 0.000000 0.000000\n0.000000 5.912974 0.000000\n0.000000 0.000000 5.733466\nH N\n12 4\ndirect\n0.624866 0.707132 0.269881 H\n0.875131 0.292867 0.769882 H\n0.124867 0.792867 0.730119 H\n0.375132 0.207132 0.230119 H\n0.018620 0.844501 0.185602 H\n0.481379 0.155498 0.685602 H\n0.518619 0.655498 0.814399 H\n0.981379 0.344502 0.314398 H\n0.771196 0.935490 0.412238 H\n0.728801 0.064509 0.912239 H\n0.271197 0.564509 0.587762 H\n0.228802 0.435491 0.087762 H\n0.741177 0.866135 0.248173 N\n0.758821 0.133864 0.748173 N\n0.241177 0.633864 0.751828 N\n0.258822 0.366136 0.251827 N\n",
"nsites": 16,
"nelements": 2,
"elements": [
"H",
"N"
],
"chemical_system": "H-N",
"density": 0.970650466879758,
"density_atomic": 0.13729219641748258,
"volume": 116.53976276515148,
"volume_molar": 4.386367846929681,
"formula_full": "H12 N4",
"formula_reduced": "H3N",
"formula_anonymous": "AB3",
"energy_above_hull": 3.1409983125,
"spacegroup": 19
},
{
"id": "jvasp-123927",
"created_at": "2022-09-04T14:38:55.297671Z",
"updated_at": "2022-09-04T14:38:55.297699Z",
"structure_string": "He1 Mg1\n1.0\n1.518281 -2.629743 0.000000\n1.518281 2.629743 -0.000000\n0.000000 0.000000 6.108953\nHe Mg\n1 1\ndirect\n0.666666 0.333333 0.750000 He\n0.333333 0.666666 0.250000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"He",
"Mg"
],
"chemical_system": "He-Mg",
"density": 0.9635847849219549,
"density_atomic": 0.040998479567429816,
"volume": 48.782296833974506,
"volume_molar": 14.688692906514841,
"formula_full": "He1 Mg1",
"formula_reduced": "HeMg",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 187
},
{
"id": "jvasp-113694",
"created_at": "2022-09-04T14:38:46.376280Z",
"updated_at": "2022-09-04T14:38:46.376301Z",
"structure_string": "Sc1 Al1 O1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nSc Al O\n1 1 1\ndirect\n0.000000 0.000000 0.730038 Sc\n0.000000 0.000000 0.235957 Al\n0.000000 0.000000 0.031099 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"Al",
"O"
],
"chemical_system": "Al-O-Sc",
"density": 0.9623134442865305,
"density_atomic": 0.019770506832558536,
"volume": 151.74117818059824,
"volume_molar": 30.460224469726775,
"formula_full": "Sc1 Al1 O1",
"formula_reduced": "ScAlO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9974771833333331,
"spacegroup": 99
},
{
"id": "jvasp-86121",
"created_at": "2022-09-04T14:36:01.421542Z",
"updated_at": "2022-09-04T14:36:01.421577Z",
"structure_string": "Li4 B4 H8\n1.0\n3.064748 0.000000 0.000000\n-0.000000 5.349471 0.000000\n0.000000 0.000000 8.334706\nLi B H\n4 4 8\ndirect\n0.750001 0.838558 0.771730 Li\n0.750001 0.661442 0.271730 Li\n0.250000 0.338558 0.728270 Li\n0.250000 0.161442 0.228270 Li\n0.250000 0.417489 0.454707 B\n0.250000 0.082511 0.954707 B\n0.750001 0.917488 0.045293 B\n0.750001 0.582511 0.545293 B\n0.750001 0.432897 0.414203 H\n0.750001 0.704127 0.990350 H\n0.250000 0.295873 0.009651 H\n0.250000 0.204127 0.509651 H\n0.250000 0.567103 0.585797 H\n0.750001 0.795873 0.490349 H\n0.250000 0.932897 0.085797 H\n0.750001 0.067103 0.914204 H\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"B",
"H"
],
"chemical_system": "B-H-Li",
"density": 0.9608891554178235,
"density_atomic": 0.11709115495811141,
"volume": 136.64567580466598,
"volume_molar": 5.143121837131406,
"formula_full": "Li4 B4 H8",
"formula_reduced": "LiBH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.619360645833334,
"spacegroup": 62
}
]
}