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=4488",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4486",
"results": [
{
"id": "jvasp-102301",
"created_at": "2022-09-04T14:37:04.375033Z",
"updated_at": "2022-09-04T14:37:04.375058Z",
"structure_string": "Tl3 Ga1 F6\n1.0\n5.536738 -0.000000 3.196637\n1.845579 5.220087 3.196637\n-0.000000 -0.000000 6.393274\nTl Ga F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ga\n0.787781 0.212219 0.212219 F\n0.212219 0.787782 0.787781 F\n0.212219 0.787782 0.212219 F\n0.787781 0.212219 0.787781 F\n0.212219 0.212219 0.787781 F\n0.787781 0.787782 0.212219 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tl",
"Ga",
"F"
],
"chemical_system": "F-Ga-Tl",
"density": 7.16106971395342,
"density_atomic": 0.054118402473084366,
"volume": 184.78002939893636,
"volume_molar": 11.12771346677333,
"formula_full": "Tl3 Ga1 F6",
"formula_reduced": "Tl3GaF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-2772",
"created_at": "2022-09-04T14:37:03.983909Z",
"updated_at": "2022-09-04T14:37:03.983942Z",
"structure_string": "Ba1 Sn1 F6\n1.0\n4.918562 0.000580 -0.622954\n-0.706901 4.867499 -0.622951\n0.000502 0.000577 4.957854\nBa Sn F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Sn\n0.432448 0.840130 0.730432 F\n0.840129 0.730432 0.432448 F\n0.269568 0.567553 0.159871 F\n0.159870 0.269568 0.567552 F\n0.567552 0.159871 0.269568 F\n0.730432 0.432448 0.840129 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"F"
],
"chemical_system": "Ba-F-Sn",
"density": 5.1763644441747765,
"density_atomic": 0.06739564410885651,
"volume": 118.70203342931941,
"volume_molar": 8.93550442261984,
"formula_full": "Ba1 Sn1 F6",
"formula_reduced": "BaSnF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-15248",
"created_at": "2022-09-04T14:36:53.578399Z",
"updated_at": "2022-09-04T14:36:53.578410Z",
"structure_string": "Zn2 Cu1 Au1\n1.0\n3.781632 -0.000000 2.183326\n1.260544 3.565357 2.183326\n0.000000 -0.000000 4.366652\nZn Cu Au\n2 1 1\ndirect\n0.749999 0.750001 0.750001 Zn\n0.250000 0.250000 0.250000 Zn\n0.499999 0.500000 0.500001 Cu\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Cu",
"Au"
],
"chemical_system": "Au-Cu-Zn",
"density": 11.037278546937586,
"density_atomic": 0.06794056003322997,
"volume": 58.874993053392345,
"volume_molar": 8.863837385288772,
"formula_full": "Zn2 Cu1 Au1",
"formula_reduced": "Zn2CuAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106417",
"created_at": "2022-09-04T14:36:57.911297Z",
"updated_at": "2022-09-04T14:36:57.911306Z",
"structure_string": "K2 Rb1 Ti1 F6\n1.0\n5.579405 -0.000000 3.221271\n1.859802 5.260313 3.221271\n-0.000000 -0.000000 6.442542\nK Rb Ti F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.749999 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ti\n0.216838 0.216838 0.783162 F\n0.216838 0.783162 0.783162 F\n0.783163 0.783162 0.216837 F\n0.216838 0.783162 0.216838 F\n0.783163 0.216838 0.783162 F\n0.783163 0.216838 0.216837 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Ti",
"F"
],
"chemical_system": "F-K-Rb-Ti",
"density": 2.858725589781069,
"density_atomic": 0.0528863101838581,
"volume": 189.08484946738048,
"volume_molar": 11.386955790759762,
"formula_full": "K2 Rb1 Ti1 F6",
"formula_reduced": "K2RbTiF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-2868",
"created_at": "2022-09-04T14:37:03.842549Z",
"updated_at": "2022-09-04T14:37:03.842566Z",
"structure_string": "Rb2 Na2 S2\n1.0\n4.676524 0.000000 0.000000\n0.000000 4.676524 0.000000\n0.000000 0.000000 7.562735\nRb Na S\n2 2 2\ndirect\n0.000000 0.500000 0.351720 Rb\n0.500000 0.000000 0.648279 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.207056 S\n0.000000 0.500000 0.792944 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Rb",
"Na",
"S"
],
"chemical_system": "Na-Rb-S",
"density": 2.821629303616326,
"density_atomic": 0.03627655457451607,
"volume": 165.3960821355108,
"volume_molar": 16.600641462876126,
"formula_full": "Rb2 Na2 S2",
"formula_reduced": "RbNaS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-14273",
"created_at": "2022-09-04T14:37:03.796827Z",
"updated_at": "2022-09-04T14:37:03.796854Z",
"structure_string": "Ti1 Cd1 Hg2\n1.0\n4.449802 0.000000 0.000000\n-0.000000 4.449802 0.000000\n-0.000000 0.000000 4.110486\nTi Cd Hg\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500001 Hg\n0.000000 0.500000 0.500001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Ti",
"density": 11.454913779621236,
"density_atomic": 0.049145690825231306,
"volume": 81.39065567771829,
"volume_molar": 12.253649625997818,
"formula_full": "Ti1 Cd1 Hg2",
"formula_reduced": "TiCdHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-13017",
"created_at": "2022-09-04T14:37:03.774211Z",
"updated_at": "2022-09-04T14:37:03.774221Z",
"structure_string": "Ga2 Cu2 Cl8\n1.0\n5.302701 0.000000 -0.000000\n0.000000 5.302701 -0.000000\n0.000000 0.000000 10.343601\nGa Cu Cl\n2 2 8\ndirect\n0.500000 0.000000 0.750000 Ga\n0.000000 0.500000 0.250000 Ga\n0.000000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.263549 0.750961 0.627571 Cl\n0.750961 0.736451 0.372429 Cl\n0.249038 0.263549 0.372429 Cl\n0.736451 0.750961 0.872429 Cl\n0.263549 0.249038 0.872429 Cl\n0.736451 0.249038 0.627571 Cl\n0.750961 0.263549 0.127571 Cl\n0.249038 0.736451 0.127571 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ga",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Ga",
"density": 3.141041316704662,
"density_atomic": 0.041258668425754104,
"volume": 290.84797105350765,
"volume_molar": 14.596061845371905,
"formula_full": "Ga2 Cu2 Cl8",
"formula_reduced": "GaCuCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 112
},
{
"id": "jvasp-104856",
"created_at": "2022-09-04T14:36:53.337701Z",
"updated_at": "2022-09-04T14:36:53.337718Z",
"structure_string": "Li1 Mg1 In2\n1.0\n4.318770 0.000000 2.493443\n1.439590 4.071776 2.493443\n0.000000 0.000000 4.986886\nLi Mg In\n1 1 2\ndirect\n0.500000 0.500001 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 In\n0.750000 0.750001 0.749999 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"In"
],
"chemical_system": "In-Li-Mg",
"density": 4.939918890345746,
"density_atomic": 0.04561278572063334,
"volume": 87.69470964783818,
"volume_molar": 13.20274713516529,
"formula_full": "Li1 Mg1 In2",
"formula_reduced": "LiMgIn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100885",
"created_at": "2022-09-04T14:36:58.056508Z",
"updated_at": "2022-09-04T14:36:58.056530Z",
"structure_string": "K3 Tb1 Cl6\n1.0\n6.761299 -0.000000 3.903638\n2.253766 6.374614 3.903638\n-0.000000 -0.000000 7.807276\nTb K Cl\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.762256 0.237744 0.237745 Cl\n0.237745 0.237744 0.762256 Cl\n0.237745 0.762255 0.762256 Cl\n0.237745 0.762255 0.237745 Cl\n0.762256 0.237744 0.762256 Cl\n0.762256 0.762255 0.237745 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"K",
"Cl"
],
"chemical_system": "Cl-K-Tb",
"density": 2.4127901127702103,
"density_atomic": 0.029717784788692216,
"volume": 336.49883634008467,
"volume_molar": 20.26443358016193,
"formula_full": "K3 Tb1 Cl6",
"formula_reduced": "K3TbCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-104639",
"created_at": "2022-09-04T14:36:53.387122Z",
"updated_at": "2022-09-04T14:36:53.387141Z",
"structure_string": "K1 Tl2 Cr1 F6\n1.0\n5.406532 -0.000000 3.121463\n1.802177 5.097327 3.121463\n-0.000000 -0.000000 6.242925\nK Tl Cr F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.000000 0.000000 0.000000 Cr\n0.782337 0.217663 0.217663 F\n0.217663 0.782338 0.782337 F\n0.217663 0.782338 0.217662 F\n0.782337 0.217663 0.782337 F\n0.217663 0.217663 0.782338 F\n0.782337 0.782338 0.217662 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"Cr",
"F"
],
"chemical_system": "Cr-F-K-Tl",
"density": 5.924653709932493,
"density_atomic": 0.058123346288419926,
"volume": 172.04790567937977,
"volume_molar": 10.360967054644284,
"formula_full": "K1 Tl2 Cr1 F6",
"formula_reduced": "KTl2CrF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106628",
"created_at": "2022-09-04T14:36:58.060059Z",
"updated_at": "2022-09-04T14:36:58.060076Z",
"structure_string": "Zn6 Au2\n1.0\n5.664818 -0.000000 0.000000\n-2.832409 4.905877 0.000000\n-0.000000 -0.000000 4.464377\nZn Au\n6 2\ndirect\n0.165086 0.330173 0.250000 Zn\n0.669827 0.834914 0.250000 Zn\n0.165086 0.834914 0.250000 Zn\n0.834914 0.669827 0.750000 Zn\n0.330173 0.165086 0.750000 Zn\n0.834914 0.165086 0.750000 Zn\n0.333333 0.666667 0.750000 Au\n0.666667 0.333334 0.250000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zn",
"Au"
],
"chemical_system": "Au-Zn",
"density": 10.524997960127228,
"density_atomic": 0.0644802196513065,
"volume": 124.06905626658956,
"volume_molar": 9.33951650997203,
"formula_full": "Zn6 Au2",
"formula_reduced": "Zn3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-8003",
"created_at": "2022-09-04T14:37:04.834829Z",
"updated_at": "2022-09-04T14:37:04.834852Z",
"structure_string": "Cd1 S1\n1.0\n3.616657 -0.000000 2.088078\n1.205553 3.409817 2.088078\n0.000000 0.000000 4.176156\nCd S\n1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"S"
],
"chemical_system": "Cd-S",
"density": 4.658324077760681,
"density_atomic": 0.03883424694989694,
"volume": 51.50093428051674,
"volume_molar": 15.507293775439058,
"formula_full": "Cd1 S1",
"formula_reduced": "CdS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 216
}
]
}