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=energy_above_hull&page=402",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=400",
"results": [
{
"id": "jvasp-94123",
"created_at": "2022-09-04T14:35:54.355117Z",
"updated_at": "2022-09-04T14:35:54.355137Z",
"structure_string": "Mg6 Cd1 Co1\n1.0\n6.097999 0.040227 0.000000\n-3.014161 5.301135 0.000000\n0.000000 0.000000 4.849302\nMg Cd Co\n6 1 1\ndirect\n0.165160 0.835464 0.250000 Mg\n0.664536 0.334840 0.250000 Mg\n0.664213 0.835787 0.250000 Mg\n0.328029 0.638392 0.750000 Mg\n0.861608 0.171971 0.750000 Mg\n0.836571 0.663430 0.750000 Mg\n0.334737 0.165263 0.750000 Cd\n0.145147 0.354853 0.250000 Co\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Co"
],
"chemical_system": "Cd-Co-Mg",
"density": 3.3472301899804595,
"density_atomic": 0.050842702048065076,
"volume": 157.34804952807295,
"volume_molar": 11.844651282118834,
"formula_full": "Mg6 Cd1 Co1",
"formula_reduced": "Mg6CdCo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0001912499999997,
"spacegroup": 38
},
{
"id": "jvasp-78336",
"created_at": "2022-09-04T14:37:09.489205Z",
"updated_at": "2022-09-04T14:37:09.489223Z",
"structure_string": "Ni1\n1.0\n-1.755984 -1.755984 0.000000\n-1.755984 0.000000 -1.755984\n0.000000 -1.755984 -1.755984\nNi\n1\ndirect\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 9.000086980075821,
"density_atomic": 0.09234392736660374,
"volume": 10.829082415241208,
"volume_molar": 6.521425860622332,
"formula_full": "Ni1",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy_above_hull": 0.0001923999999999,
"spacegroup": 225
},
{
"id": "jvasp-1035",
"created_at": "2022-09-04T14:37:48.830064Z",
"updated_at": "2022-09-04T14:37:48.830081Z",
"structure_string": "Tm2\n1.0\n1.760740 -3.049689 0.000000\n1.760740 3.049689 0.000000\n0.000000 0.000000 5.473444\nTm\n2\ndirect\n0.333333 0.666667 0.749999 Tm\n0.666667 0.333333 0.250000 Tm\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.5445452177983,
"density_atomic": 0.03402424814466507,
"volume": 58.78160750228351,
"volume_molar": 17.699555723891166,
"formula_full": "Tm2",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy_above_hull": 0.0001999999999999,
"spacegroup": 194
},
{
"id": "jvasp-14623",
"created_at": "2022-09-04T14:36:21.220625Z",
"updated_at": "2022-09-04T14:36:21.220652Z",
"structure_string": "Tm2\n1.0\n1.760755 -3.049716 -0.000000\n1.760755 3.049716 0.000000\n-0.000000 -0.000000 5.473476\nTm\n2\ndirect\n0.333331 0.666666 0.750001 Tm\n0.666666 0.333331 0.250000 Tm\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Tm"
],
"chemical_system": "Tm",
"density": 9.544323607246213,
"density_atomic": 0.03402345815077395,
"volume": 58.782972357984875,
"volume_molar": 17.699966691548703,
"formula_full": "Tm2",
"formula_reduced": "Tm",
"formula_anonymous": "A",
"energy_above_hull": 0.0001999999999999,
"spacegroup": 194
},
{
"id": "jvasp-57703",
"created_at": "2022-09-04T14:38:18.427222Z",
"updated_at": "2022-09-04T14:38:18.427241Z",
"structure_string": "K2 Al2 F8\n1.0\n5.053531 -0.000000 0.000000\n0.000000 5.053531 0.000000\n-0.000000 -0.000000 6.209296\nK Al F\n2 2 8\ndirect\n0.500000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.691170 0.191170 0.000000 F\n0.808830 0.691170 0.000000 F\n0.191170 0.308830 0.000000 F\n0.308830 0.808830 0.000000 F\n0.000000 0.000000 0.288193 F\n0.500000 0.500000 0.711807 F\n0.000000 0.000000 0.711807 F\n0.500000 0.500000 0.288193 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Al",
"F"
],
"chemical_system": "Al-F-K",
"density": 2.9754988887706415,
"density_atomic": 0.07567440490402318,
"volume": 158.574091401438,
"volume_molar": 7.957962494238044,
"formula_full": "K2 Al2 F8",
"formula_reduced": "KAlF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0001999999999999,
"spacegroup": 127
},
{
"id": "jvasp-22646",
"created_at": "2022-09-04T14:38:07.941510Z",
"updated_at": "2022-09-04T14:38:07.941539Z",
"structure_string": "Cd1 Br2\n1.0\n3.828856 -0.007179 5.501979\n1.720762 3.420406 5.501979\n-0.011673 -0.007179 6.703116\nCd Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750337 0.750337 0.750336 Br\n0.249664 0.249664 0.249663 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cd",
"Br"
],
"chemical_system": "Br-Cd",
"density": 5.126696865816678,
"density_atomic": 0.03402446945709318,
"volume": 88.17183773528558,
"volume_molar": 17.699440596992314,
"formula_full": "Cd1 Br2",
"formula_reduced": "CdBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0001999999999999,
"spacegroup": 166
},
{
"id": "jvasp-3180",
"created_at": "2022-09-04T14:36:21.605251Z",
"updated_at": "2022-09-04T14:36:21.605285Z",
"structure_string": "K1 Au1 F6\n1.0\n4.965434 -0.028451 -0.719241\n-0.826891 4.896182 -0.719241\n-0.024189 -0.028451 5.017196\nK Au F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Au\n0.721939 0.072909 0.721940 F\n0.072909 0.721940 0.721940 F\n0.278060 0.278060 0.927092 F\n0.927091 0.278060 0.278061 F\n0.278060 0.927091 0.278061 F\n0.721939 0.721940 0.072909 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Au",
"F"
],
"chemical_system": "Au-F-K",
"density": 4.778138727182948,
"density_atomic": 0.06576018124178556,
"volume": 121.65416592429663,
"volume_molar": 9.157731390456373,
"formula_full": "K1 Au1 F6",
"formula_reduced": "KAuF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0002062499999999,
"spacegroup": 166
},
{
"id": "jvasp-109831",
"created_at": "2022-09-04T14:38:18.917815Z",
"updated_at": "2022-09-04T14:38:18.917842Z",
"structure_string": "Rb1 Au1 Br3\n1.0\n5.387470 -0.000000 0.000000\n0.000000 5.387470 0.000000\n-0.000000 -0.000000 5.387470\nRb Au Br\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 -0.000000 Br\n0.000000 0.000000 0.500000 Br\n-0.000000 0.500000 -0.000000 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Au",
"Br"
],
"chemical_system": "Au-Br-Rb",
"density": 5.54481122823407,
"density_atomic": 0.03197535757985276,
"volume": 156.37041704735876,
"volume_molar": 18.83369324318196,
"formula_full": "Rb1 Au1 Br3",
"formula_reduced": "RbAuBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0002079999999999,
"spacegroup": 221
},
{
"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-8592",
"created_at": "2022-09-04T14:37:00.202346Z",
"updated_at": "2022-09-04T14:37:00.202374Z",
"structure_string": "Rb2 Te1 Br6\n1.0\n6.584772 0.000000 3.801720\n2.194924 6.208183 3.801720\n0.000000 0.000000 7.603440\nRb Te Br\n2 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Te\n0.253771 0.746228 0.746228 Br\n0.253771 0.746228 0.253772 Br\n0.746228 0.253772 0.746228 Br\n0.746228 0.253772 0.253772 Br\n0.746227 0.746228 0.253772 Br\n0.253772 0.253772 0.746228 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Te",
"Br"
],
"chemical_system": "Br-Rb-Te",
"density": 4.156145723080482,
"density_atomic": 0.028955237669026627,
"volume": 310.8245942538847,
"volume_molar": 20.79810509185312,
"formula_full": "Rb2 Te1 Br6",
"formula_reduced": "Rb2TeBr6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0002122222222222,
"spacegroup": 225
},
{
"id": "jvasp-29322",
"created_at": "2022-09-04T14:36:58.873782Z",
"updated_at": "2022-09-04T14:36:58.873811Z",
"structure_string": "Pb2 I4\n1.0\n4.536984 0.007465 13.629727\n2.215097 3.959499 13.629727\n0.012707 0.007465 14.365011\nPb I\n2 4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500001 0.499999 Pb\n0.121877 0.121877 0.121877 I\n0.878122 0.878125 0.878122 I\n0.288544 0.288545 0.288544 I\n0.711455 0.711458 0.711455 I\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.959758235413386,
"density_atomic": 0.023355622779223078,
"volume": 256.89745277687643,
"volume_molar": 25.78454369179671,
"formula_full": "Pb2 I4",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0002133333333333,
"spacegroup": 166
},
{
"id": "jvasp-29612",
"created_at": "2022-09-04T14:38:02.158799Z",
"updated_at": "2022-09-04T14:38:02.158826Z",
"structure_string": "Cd8 I16\n1.0\n4.286555 -0.000000 0.000000\n-2.143277 3.712265 -0.000000\n0.000000 0.000000 55.049250\nCd I\n8 16\ndirect\n0.333333 0.666668 0.531262 Cd\n0.666666 0.333333 0.906326 Cd\n0.333333 0.666668 0.781273 Cd\n0.666666 0.333333 0.031141 Cd\n0.666666 0.333333 0.406302 Cd\n0.000000 0.000000 0.156051 Cd\n0.666666 0.333333 0.656287 Cd\n0.333333 0.666668 0.281414 Cd\n0.666666 0.333333 0.312894 I\n0.000000 0.000000 0.874808 I\n0.333333 0.666668 0.937808 I\n0.333333 0.666668 0.437785 I\n0.000000 0.000000 0.624766 I\n0.666666 0.333333 0.562749 I\n0.333333 0.666668 0.187536 I\n0.000000 0.000000 0.249919 I\n0.333333 0.666668 0.062644 I\n0.000000 0.000000 0.374790 I\n0.000000 0.000000 0.499746 I\n0.666666 0.333333 0.124558 I\n0.333333 0.666668 0.687773 I\n0.000000 0.000000 -0.000350 I\n0.666666 0.333333 0.812763 I\n0.000000 0.000000 0.749754 I\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.55369843512724,
"density_atomic": 0.027397596422373313,
"volume": 875.9892521229059,
"volume_molar": 21.980544085546953,
"formula_full": "Cd8 I16",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0002133333333333,
"spacegroup": 156
}
]
}