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=structure_string&page=268",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=266",
"results": [
{
"id": "jvasp-68996",
"created_at": "2022-09-04T14:36:11.880288Z",
"updated_at": "2022-09-04T14:36:11.880307Z",
"structure_string": "Ba1 Si2 Ir1\n1.0\n4.332930 0.000000 0.000000\n0.000000 4.332930 0.000000\n0.000000 -0.000000 4.656980\nBa Si Ir\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Ir"
],
"chemical_system": "Ba-Ir-Si",
"density": 7.325679381262431,
"density_atomic": 0.04575012370463965,
"volume": 87.4314575808316,
"volume_molar": 13.163113610093424,
"formula_full": "Ba1 Si2 Ir1",
"formula_reduced": "BaSi2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.7847860675,
"spacegroup": 123
},
{
"id": "jvasp-69370",
"created_at": "2022-09-04T14:35:48.758051Z",
"updated_at": "2022-09-04T14:35:48.758080Z",
"structure_string": "Ba1 Si2 Mo1\n1.0\n4.436456 0.000000 -0.000000\n-0.000000 4.436456 0.000000\n-0.000000 0.000000 4.450167\nBa Si Mo\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Mo"
],
"chemical_system": "Ba-Mo-Si",
"density": 5.487265575158228,
"density_atomic": 0.045667929839931024,
"volume": 87.58881810540247,
"volume_molar": 13.186804790819254,
"formula_full": "Ba1 Si2 Mo1",
"formula_reduced": "BaSi2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2337497675,
"spacegroup": 123
},
{
"id": "jvasp-69154",
"created_at": "2022-09-04T14:36:12.793541Z",
"updated_at": "2022-09-04T14:36:12.793558Z",
"structure_string": "Ba1 Si2 P1\n1.0\n-2.152061 2.152061 5.267382\n2.152061 -2.152061 5.267382\n2.152061 2.152061 -5.267382\nBa Si P\n1 2 1\ndirect\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.750000 0.250000 0.500000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"P"
],
"chemical_system": "Ba-P-Si",
"density": 3.819854774731863,
"density_atomic": 0.04099170949465432,
"volume": 97.58070715547092,
"volume_molar": 14.691118848764626,
"formula_full": "Ba1 Si2 P1",
"formula_reduced": "BaSi2P",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3199121675,
"spacegroup": 139
},
{
"id": "jvasp-69135",
"created_at": "2022-09-04T14:36:11.915980Z",
"updated_at": "2022-09-04T14:36:11.916005Z",
"structure_string": "Ba1 Si2 Pd1\n1.0\n4.317474 0.000000 0.000000\n0.000000 4.317474 -0.000000\n0.000000 -0.000000 4.909292\nBa Si Pd\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Pd"
],
"chemical_system": "Ba-Pd-Si",
"density": 5.442185021584717,
"density_atomic": 0.0437100864279872,
"volume": 91.51205881484675,
"volume_molar": 13.777462485510148,
"formula_full": "Ba1 Si2 Pd1",
"formula_reduced": "BaSi2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9629897175,
"spacegroup": 123
},
{
"id": "jvasp-65601",
"created_at": "2022-09-04T14:35:50.739265Z",
"updated_at": "2022-09-04T14:35:50.739296Z",
"structure_string": "Ba1 Si2 Rh1\n1.0\n4.230069 0.000000 0.000000\n0.000000 4.230069 -0.000000\n0.000000 0.000000 4.890054\nBa Si Rh\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Rh"
],
"chemical_system": "Ba-Rh-Si",
"density": 5.625017358002137,
"density_atomic": 0.04571423254993754,
"volume": 87.50010176000352,
"volume_molar": 13.173448232826622,
"formula_full": "Ba1 Si2 Rh1",
"formula_reduced": "BaSi2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3124240425,
"spacegroup": 123
},
{
"id": "jvasp-92702",
"created_at": "2022-09-04T14:36:15.730705Z",
"updated_at": "2022-09-04T14:36:15.730718Z",
"structure_string": "Ba1 Si3 Pd1\n1.0\n4.470384 -0.000000 -0.000000\n-0.000000 4.470384 -0.000000\n-2.235192 -2.235192 5.134740\nBa Si Pd\n1 3 1\ndirect\n0.615273 0.615273 0.230547 Ba\n0.002686 0.002686 0.005373 Si\n0.868807 0.368808 0.737615 Si\n0.368808 0.868807 0.737615 Si\n0.261125 0.261125 0.522250 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Pd"
],
"chemical_system": "Ba-Pd-Si",
"density": 5.307859976899784,
"density_atomic": 0.04872612628570602,
"volume": 102.61435458017863,
"volume_molar": 12.359161745567727,
"formula_full": "Ba1 Si3 Pd1",
"formula_reduced": "BaSi3Pd",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.210113494,
"spacegroup": 107
},
{
"id": "jvasp-92682",
"created_at": "2022-09-04T14:36:32.839574Z",
"updated_at": "2022-09-04T14:36:32.839601Z",
"structure_string": "Ba1 Si3 Pt1\n1.0\n4.479724 0.000000 -0.000000\n0.000000 4.479724 0.000000\n-2.239862 -2.239862 5.063674\nBa Si Pt\n1 3 1\ndirect\n0.601701 0.601701 0.203404 Ba\n0.994504 0.994504 0.989009 Si\n0.856371 0.356372 0.712742 Si\n0.356372 0.856371 0.712742 Si\n0.249849 0.249849 0.499699 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Pt"
],
"chemical_system": "Ba-Pt-Si",
"density": 6.808798334967402,
"density_atomic": 0.04920415198425275,
"volume": 101.6174407720754,
"volume_molar": 12.239090640008023,
"formula_full": "Ba1 Si3 Pt1",
"formula_reduced": "BaSi3Pt",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.390428634,
"spacegroup": 107
},
{
"id": "jvasp-56902",
"created_at": "2022-09-04T14:36:49.710360Z",
"updated_at": "2022-09-04T14:36:49.710391Z",
"structure_string": "Ba1 Si6 N8\n1.0\n4.540896 -0.000000 1.791625\n1.900885 6.095403 1.832475\n0.003002 0.003757 6.642683\nBa Si N\n1 6 8\ndirect\n0.168171 0.000000 -0.000000 Ba\n0.812493 0.540720 0.137669 Si\n0.490882 0.459280 0.862330 Si\n0.490883 0.862330 0.459280 Si\n0.812492 0.137670 0.540719 Si\n0.018411 0.627914 0.627914 Si\n0.274239 0.372086 0.372086 Si\n0.984031 0.317514 0.317513 N\n0.500886 0.119118 0.478940 N\n0.098945 0.880882 0.521060 N\n0.709194 0.785546 0.214454 N\n0.500887 0.478940 0.119117 N\n0.098944 0.521060 0.880882 N\n0.709193 0.214454 0.785545 N\n0.619058 0.682486 0.682486 N\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Si",
"N"
],
"chemical_system": "Ba-N-Si",
"density": 3.775273212534936,
"density_atomic": 0.08160651431799716,
"volume": 183.8088555228484,
"volume_molar": 7.379485339287311,
"formula_full": "Ba1 Si6 N8",
"formula_reduced": "Ba(Si3N4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.869338904666667,
"spacegroup": 44
},
{
"id": "jvasp-25626",
"created_at": "2022-09-04T14:37:48.605375Z",
"updated_at": "2022-09-04T14:37:48.605407Z",
"structure_string": "Ba1 Si6 N8 O1\n1.0\n4.553892 -0.000000 1.744923\n1.871893 6.278793 1.929564\n-0.005854 0.012309 6.830101\nBa Si N O\n1 6 8 1\ndirect\n0.495713 0.500000 0.499999 Ba\n0.180036 0.644561 0.037605 Si\n0.686059 0.838905 0.838904 Si\n0.180037 0.037606 0.644561 Si\n0.363869 0.161095 0.161095 Si\n0.862204 0.962394 0.355438 Si\n0.862204 0.355439 0.962394 Si\n0.051388 0.726099 0.273900 N\n0.904317 0.953294 0.602890 N\n0.051388 0.273901 0.726099 N\n0.987888 0.187187 0.187187 N\n0.904317 0.602891 0.953293 N\n0.362262 0.812812 0.812812 N\n0.460502 0.397109 0.046706 N\n0.460502 0.046706 0.397109 N\n0.610815 0.000000 -0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ba",
"Si",
"N",
"O"
],
"chemical_system": "Ba-N-O-Si",
"density": 3.689387006130044,
"density_atomic": 0.08192990576647487,
"volume": 195.28888566776658,
"volume_molar": 7.350357239717731,
"formula_full": "Ba1 Si6 N8 O1",
"formula_reduced": "BaSi6N8O",
"formula_anonymous": "ABC6D8",
"energy_above_hull": 4.760304816874999,
"spacegroup": 44
},
{
"id": "jvasp-104640",
"created_at": "2022-09-04T14:36:52.702140Z",
"updated_at": "2022-09-04T14:36:52.702162Z",
"structure_string": "Ba1 Sm1 Co2 O6\n1.0\n3.872332 0.000000 0.000000\n0.000000 3.872332 0.000000\n0.000000 0.000000 7.609020\nBa Sm Co O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 -0.000000 Sm\n0.000000 0.000000 0.248202 Co\n0.000000 0.000000 0.751798 Co\n-0.000000 0.500000 0.222681 O\n-0.000000 0.500000 0.777319 O\n0.500000 0.000000 0.222681 O\n0.500000 0.000000 0.777319 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Sm",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Sm",
"density": 7.299435150068137,
"density_atomic": 0.08764478987697925,
"volume": 114.09691339366879,
"volume_molar": 6.871076727382027,
"formula_full": "Ba1 Sm1 Co2 O6",
"formula_reduced": "BaSm(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.4569207645000004,
"spacegroup": 123
},
{
"id": "jvasp-110944",
"created_at": "2022-09-04T14:38:48.275021Z",
"updated_at": "2022-09-04T14:38:48.275048Z",
"structure_string": "Ba1 Sm1 Fe1 Cu1 O5\n1.0\n3.924349 0.000000 0.000000\n0.000000 3.924349 0.000000\n-0.000000 -0.000000 7.683975\nBa Sm Fe Cu O\n1 1 1 1 5\ndirect\n0.500000 0.500000 0.727170 Ba\n0.500000 0.500000 0.203212 Sm\n0.000000 0.000000 0.448602 Fe\n0.000000 0.000000 0.993677 Cu\n0.500000 0.000000 0.398359 O\n-0.000000 0.500000 0.398359 O\n0.500000 0.000000 0.015112 O\n-0.000000 0.500000 0.015112 O\n0.000000 0.000000 0.688393 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Sm",
"Fe",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Fe-O-Sm",
"density": 6.834767525957598,
"density_atomic": 0.07605387036016185,
"volume": 118.33717281421004,
"volume_molar": 7.918256798084646,
"formula_full": "Ba1 Sm1 Fe1 Cu1 O5",
"formula_reduced": "BaSmFeCuO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 1.892336477222222,
"spacegroup": 99
},
{
"id": "jvasp-87903",
"created_at": "2022-09-04T14:35:43.271675Z",
"updated_at": "2022-09-04T14:35:43.271723Z",
"structure_string": "Ba1 Sm2 Co1 O5\n1.0\n3.589572 0.000032 -1.037396\n-0.738846 5.276313 -2.556823\n0.040435 0.024820 6.869191\nBa Sm Co O\n1 2 1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.797048 0.297050 0.594097 Sm\n0.202952 0.702949 0.405902 Sm\n0.499996 0.500000 -0.000000 Co\n0.352715 0.596021 0.705442 O\n0.647286 0.403978 0.294558 O\n0.647283 0.890562 0.294572 O\n0.352718 0.109437 0.705427 O\n0.000003 0.500000 0.000000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Sm",
"Co",
"O"
],
"chemical_system": "Ba-Co-O-Sm",
"density": 7.3378439354980065,
"density_atomic": 0.06892919946823389,
"volume": 130.5687585149986,
"volume_molar": 8.736704918175223,
"formula_full": "Ba1 Sm2 Co1 O5",
"formula_reduced": "BaSm2CoO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.064906902222222,
"spacegroup": 71
}
]
}