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=volume_molar&page=4419",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=4417",
"results": [
{
"id": "jvasp-79635",
"created_at": "2022-09-04T14:37:17.535105Z",
"updated_at": "2022-09-04T14:37:17.535123Z",
"structure_string": "Rb3 Pt1\n1.0\n5.323143 0.000000 -0.000000\n0.000000 5.323143 0.000000\n0.000000 0.000000 5.323143\nRb Pt\n3 1\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Pt"
],
"chemical_system": "Pt-Rb",
"density": 4.970388464469818,
"density_atomic": 0.0265189052675769,
"volume": 150.835789020694,
"volume_molar": 22.708858828207045,
"formula_full": "Rb3 Pt1",
"formula_reduced": "Rb3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-76200",
"created_at": "2022-09-04T14:36:14.416989Z",
"updated_at": "2022-09-04T14:36:14.417029Z",
"structure_string": "Rb3 Pt1\n1.0\n5.323143 0.000000 -0.000000\n0.000000 5.323143 0.000000\n0.000000 0.000000 5.323143\nRb Pt\n3 1\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Pt"
],
"chemical_system": "Pt-Rb",
"density": 4.970388464469818,
"density_atomic": 0.0265189052675769,
"volume": 150.835789020694,
"volume_molar": 22.708858828207045,
"formula_full": "Rb3 Pt1",
"formula_reduced": "Rb3Pt",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-115137",
"created_at": "2022-09-04T14:38:45.280302Z",
"updated_at": "2022-09-04T14:38:45.280346Z",
"structure_string": "In2 I1\n1.0\n6.930723 0.455227 0.194721\n1.524804 -3.934711 0.092333\n-2.872002 -1.193432 -4.114047\nIn I\n2 1\ndirect\n0.038188 0.590049 0.505439 In\n0.595728 0.305960 0.069164 In\n0.317126 -0.052131 0.287507 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"In",
"I"
],
"chemical_system": "I-In",
"density": 5.233096289760442,
"density_atomic": 0.026516857240746206,
"volume": 113.13557910588871,
"volume_molar": 22.710612744659226,
"formula_full": "In2 I1",
"formula_reduced": "In2I",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-69374",
"created_at": "2022-09-04T14:36:04.816626Z",
"updated_at": "2022-09-04T14:36:04.816651Z",
"structure_string": "Ba2 Y1 Mn1\n1.0\n0.000000 4.225103 4.225103\n4.225103 0.000000 4.225103\n4.225103 4.225103 -0.000000\nBa Y Mn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Y",
"Mn"
],
"chemical_system": "Ba-Mn-Y",
"density": 4.606811874562722,
"density_atomic": 0.026516615643233776,
"volume": 150.84881320519034,
"volume_molar": 22.710819665015077,
"formula_full": "Ba2 Y1 Mn1",
"formula_reduced": "Ba2YMn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.818753657844828,
"spacegroup": 225
},
{
"id": "jvasp-114556",
"created_at": "2022-09-04T14:38:42.285260Z",
"updated_at": "2022-09-04T14:38:42.285294Z",
"structure_string": "Ba2 Cl2\n1.0\n4.275398 -0.000000 -0.000000\n-0.000000 4.275398 0.000000\n-0.000000 -0.000000 8.253351\nBa Cl\n2 2\ndirect\n0.000000 0.000000 0.765417 Ba\n0.500000 0.500000 0.234582 Ba\n0.000000 0.000000 0.370022 Cl\n0.500000 0.500000 0.629978 Cl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Cl"
],
"chemical_system": "Ba-Cl",
"density": 3.8035501607638085,
"density_atomic": 0.026514080870188608,
"volume": 150.86323450485673,
"volume_molar": 22.712990842428404,
"formula_full": "Ba2 Cl2",
"formula_reduced": "BaCl",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-66158",
"created_at": "2022-09-04T14:36:12.981379Z",
"updated_at": "2022-09-04T14:36:12.981407Z",
"structure_string": "Ba4 Pd1 Se1\n1.0\n-0.000000 4.836704 4.836704\n4.836704 0.000000 4.836704\n4.836704 4.836704 0.000000\nBa Pd Se\n4 1 1\ndirect\n0.123777 0.625407 0.625407 Ba\n0.625407 0.625407 0.625407 Ba\n0.625407 0.123777 0.625407 Ba\n0.625407 0.625407 0.123777 Ba\n0.250000 0.250000 0.250000 Pd\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"Se"
],
"chemical_system": "Ba-Pd-Se",
"density": 5.391051968388377,
"density_atomic": 0.026513845721718055,
"volume": 226.2968587421957,
"volume_molar": 22.713192281522318,
"formula_full": "Ba4 Pd1 Se1",
"formula_reduced": "Ba4PdSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4076821577777777,
"spacegroup": 216
},
{
"id": "jvasp-66274",
"created_at": "2022-09-04T14:36:15.512775Z",
"updated_at": "2022-09-04T14:36:15.512803Z",
"structure_string": "Ba4 Cd1 Ru1\n1.0\n0.000000 4.836710 4.836710\n4.836710 0.000000 4.836710\n4.836710 4.836710 0.000000\nBa Cd Ru\n4 1 1\ndirect\n0.122819 0.625727 0.625727 Ba\n0.625727 0.625727 0.625727 Ba\n0.625727 0.122819 0.625727 Ba\n0.625727 0.625727 0.122819 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Ru"
],
"chemical_system": "Ba-Cd-Ru",
"density": 5.597232888103113,
"density_atomic": 0.02651374704955641,
"volume": 226.29770091664142,
"volume_molar": 22.713276809739927,
"formula_full": "Ba4 Cd1 Ru1",
"formula_reduced": "Ba4CdRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4488756883333333,
"spacegroup": 216
},
{
"id": "jvasp-58890",
"created_at": "2022-09-04T14:37:02.015414Z",
"updated_at": "2022-09-04T14:37:02.015438Z",
"structure_string": "Rb8 Pb2 Br12\n1.0\n9.398569 0.014615 0.073483\n0.073025 9.398297 0.073483\n0.014706 0.014615 9.398845\nRb Pb Br\n8 2 12\ndirect\n0.633285 0.866717 0.250000 Rb\n0.250001 0.633285 0.866716 Rb\n0.866716 0.250001 0.633284 Rb\n0.366716 0.133285 0.750000 Rb\n0.750000 0.366716 0.133284 Rb\n0.133285 0.750000 0.366716 Rb\n0.750001 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500001 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.940809 0.072770 0.308498 Br\n0.572770 0.440809 0.808498 Br\n0.191502 0.427231 0.559192 Br\n0.559192 0.191503 0.427230 Br\n0.427231 0.559192 0.191502 Br\n0.927231 0.691503 0.059191 Br\n0.059192 0.927231 0.691502 Br\n0.691502 0.059193 0.927231 Br\n0.808499 0.572771 0.440808 Br\n0.440809 0.808499 0.572770 Br\n0.308499 0.940809 0.072769 Br\n0.072770 0.308499 0.940809 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.114449789268518,
"density_atomic": 0.026500440029704597,
"volume": 830.1748942787361,
"volume_molar": 22.724682130748487,
"formula_full": "Rb8 Pb2 Br12",
"formula_reduced": "Rb4PbBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 167
},
{
"id": "jvasp-13406",
"created_at": "2022-09-04T14:37:09.392729Z",
"updated_at": "2022-09-04T14:37:09.392748Z",
"structure_string": "Rb8 Pb2 Br12\n1.0\n9.398571 0.014615 0.073483\n0.073025 9.398299 0.073483\n0.014706 0.014615 9.398847\nRb Pb Br\n8 2 12\ndirect\n0.633285 0.866716 0.250000 Rb\n0.250001 0.633285 0.866715 Rb\n0.866715 0.250001 0.633285 Rb\n0.366716 0.133285 0.750000 Rb\n0.750000 0.366716 0.133285 Rb\n0.133285 0.750000 0.366715 Rb\n0.750001 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500001 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.940809 0.072770 0.308498 Br\n0.572769 0.440810 0.808498 Br\n0.191502 0.427231 0.559191 Br\n0.559191 0.191502 0.427231 Br\n0.427231 0.559191 0.191501 Br\n0.927231 0.691502 0.059190 Br\n0.059191 0.927232 0.691502 Br\n0.691502 0.059192 0.927231 Br\n0.808499 0.572770 0.440809 Br\n0.440810 0.808499 0.572769 Br\n0.308499 0.940810 0.072769 Br\n0.072769 0.308499 0.940810 Br\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Rb",
"Pb",
"Br"
],
"chemical_system": "Br-Pb-Rb",
"density": 4.114447162562022,
"density_atomic": 0.02650042311155477,
"volume": 830.1754242711511,
"volume_molar": 22.72469663842542,
"formula_full": "Rb8 Pb2 Br12",
"formula_reduced": "Rb4PbBr6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 5.551115123125784e-16,
"spacegroup": 167
},
{
"id": "jvasp-119953",
"created_at": "2022-09-04T14:38:52.293145Z",
"updated_at": "2022-09-04T14:38:52.293172Z",
"structure_string": "Ba1 Mg1 Sb1\n1.0\n3.429776 0.000000 -0.000000\n-0.000000 3.429776 0.000000\n-0.000000 0.000000 9.623765\nBa Mg Sb\n1 1 1\ndirect\n0.000000 0.000000 0.341692 Ba\n0.000000 0.000000 0.701318 Mg\n0.000000 0.000000 -0.005446 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Sb"
],
"chemical_system": "Ba-Mg-Sb",
"density": 4.156809864851122,
"density_atomic": 0.026499930266917417,
"volume": 113.20784506913243,
"volume_molar": 22.725119271419583,
"formula_full": "Ba1 Mg1 Sb1",
"formula_reduced": "BaMgSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4601677972222223,
"spacegroup": 99
},
{
"id": "jvasp-110755",
"created_at": "2022-09-04T14:38:39.180482Z",
"updated_at": "2022-09-04T14:38:39.180515Z",
"structure_string": "Ca3 Y1\n1.0\n5.324466 -0.000000 0.000000\n0.000000 5.324466 0.000000\n-0.000000 -0.000000 5.324466\nCa Y\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Y\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Y"
],
"chemical_system": "Ca-Y",
"density": 2.30068793614535,
"density_atomic": 0.026499142274586506,
"volume": 150.94828196896484,
"volume_molar": 22.7257950374319,
"formula_full": "Ca3 Y1",
"formula_reduced": "Ca3Y",
"formula_anonymous": "AB3",
"energy_above_hull": 0.4288741775,
"spacegroup": 221
},
{
"id": "jvasp-11197",
"created_at": "2022-09-04T14:37:13.243461Z",
"updated_at": "2022-09-04T14:37:13.243488Z",
"structure_string": "Ba4 Si2 Te8\n1.0\n0.000000 7.586619 0.006723\n7.629289 0.000000 0.000000\n0.000000 -3.077000 -9.130588\nBa Si Te\n4 2 8\ndirect\n0.724881 0.750000 0.926702 Ba\n0.275119 0.250000 0.073299 Ba\n0.777321 0.750000 0.447892 Ba\n0.222680 0.250000 0.552109 Ba\n0.210156 0.750000 0.293896 Si\n0.789844 0.250000 0.706105 Si\n0.990911 0.008430 0.231954 Te\n0.009089 0.508430 0.768047 Te\n0.622314 0.250000 0.431255 Te\n0.377686 0.750000 0.568745 Te\n0.595207 0.250000 0.877853 Te\n0.404793 0.750000 0.122148 Te\n0.990911 0.491570 0.231954 Te\n0.009089 0.991570 0.768047 Te\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Te"
],
"chemical_system": "Ba-Si-Te",
"density": 5.1114342648152675,
"density_atomic": 0.026498827872941267,
"volume": 528.3252552576415,
"volume_molar": 22.726064673031768,
"formula_full": "Ba4 Si2 Te8",
"formula_reduced": "Ba2SiTe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.8676573723809522,
"spacegroup": 11
}
]
}