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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=122",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=120",
"results": [
{
"id": "jvasp-109696",
"created_at": "2022-09-04T14:37:56.780968Z",
"updated_at": "2022-09-04T14:37:56.780993Z",
"structure_string": "Pr1 Mn2 Si1 Ge1\n1.0\n3.765863 -0.015646 -4.771050\n-0.465923 3.736962 -4.771050\n0.013874 0.015646 6.078195\nPr Mn Si Ge\n1 2 1 1\ndirect\n0.998475 0.998474 -0.000002 Pr\n0.753567 0.253567 0.499998 Mn\n0.253567 0.753567 0.499999 Mn\n0.370382 0.370381 -0.000001 Si\n0.624006 0.624005 -0.000001 Ge\n",
"nsites": 5,
"nelements": 4,
"elements": [
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"Mn",
"Si",
"Ge"
],
"chemical_system": "Ge-Mn-Pr-Si",
"density": 6.782595793125589,
"density_atomic": 0.058100530441961576,
"volume": 86.05773410269731,
"volume_molar": 10.36503576506191,
"formula_full": "Pr1 Mn2 Si1 Ge1",
"formula_reduced": "PrMn2SiGe",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.908269776551724,
"spacegroup": 107
},
{
"id": "jvasp-29388",
"created_at": "2022-09-04T14:38:01.870376Z",
"updated_at": "2022-09-04T14:38:01.870395Z",
"structure_string": "Mn2 Sb2 S4 Br2\n1.0\n3.639706 -0.000000 -0.000000\n-1.819853 6.261624 -0.161851\n-0.000000 -0.095943 8.856506\nMn Sb S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.707434 0.414867 0.789683 Sb\n0.292567 0.585132 0.210318 Sb\n0.620922 0.241844 0.045274 S\n0.057620 0.115240 0.750324 S\n0.379080 0.758156 0.954727 S\n0.942382 0.884760 0.249676 S\n0.371924 0.743846 0.550691 Br\n0.628078 0.256154 0.449309 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mn",
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"S",
"Br"
],
"chemical_system": "Br-Mn-S-Sb",
"density": 5.278704617725789,
"density_atomic": 0.04955710342163087,
"volume": 201.78741914998938,
"volume_molar": 12.151922417183556,
"formula_full": "Mn2 Sb2 S4 Br2",
"formula_reduced": "MnSbS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.974259489275862,
"spacegroup": 12
},
{
"id": "jvasp-26417",
"created_at": "2022-09-04T14:37:51.007937Z",
"updated_at": "2022-09-04T14:37:51.007964Z",
"structure_string": "Ca2 Bi2 Cl2 O4\n1.0\n0.000000 6.392876 0.029951\n4.150602 0.000000 0.000000\n0.000000 -1.994633 -7.526254\nCa Bi Cl O\n2 2 2 4\ndirect\n0.671352 0.250000 0.920514 Ca\n0.328649 0.750000 0.079485 Ca\n0.682301 0.250000 0.408873 Bi\n0.317700 0.750000 0.591127 Bi\n0.055989 0.250000 0.813250 Cl\n0.944012 0.750000 0.186750 Cl\n0.529189 0.750000 0.401127 O\n0.470812 0.250000 0.598872 O\n0.511685 0.750000 0.857571 O\n0.488316 0.250000 0.142428 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ca",
"Bi",
"Cl",
"O"
],
"chemical_system": "Bi-Ca-Cl-O",
"density": 5.270115551016112,
"density_atomic": 0.050136421639257994,
"volume": 199.4557982608349,
"volume_molar": 12.01150892524911,
"formula_full": "Ca2 Bi2 Cl2 O4",
"formula_reduced": "CaBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7079751575000001,
"spacegroup": 11
},
{
"id": "jvasp-29416",
"created_at": "2022-09-04T14:37:51.099329Z",
"updated_at": "2022-09-04T14:37:51.099360Z",
"structure_string": "Mn4 Sb4 S8 Cl4\n1.0\n3.823740 0.000000 0.000000\n0.000000 9.432167 0.000000\n0.000000 0.000000 12.252403\nMn Sb S Cl\n4 4 8 4\ndirect\n0.250000 0.997301 0.263189 Mn\n0.750000 0.002700 0.736811 Mn\n0.250000 0.497301 0.236811 Mn\n0.750000 0.502700 0.763189 Mn\n0.750000 0.306456 0.465658 Sb\n0.750000 0.806456 0.034342 Sb\n0.250000 0.193545 0.965658 Sb\n0.250000 0.693545 0.534342 Sb\n0.250000 0.948401 0.883045 S\n0.750000 0.051600 0.116955 S\n0.250000 0.253176 0.323187 S\n0.250000 0.448401 0.616955 S\n0.750000 0.246824 0.823187 S\n0.750000 0.551600 0.383045 S\n0.250000 0.753176 0.176813 S\n0.750000 0.746824 0.676813 S\n0.250000 0.563941 0.887612 Cl\n0.750000 0.436059 0.112388 Cl\n0.750000 0.936059 0.387612 Cl\n0.250000 0.063941 0.612388 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mn",
"Sb",
"S",
"Cl"
],
"chemical_system": "Cl-Mn-S-Sb",
"density": 4.152781394416589,
"density_atomic": 0.04525940987252352,
"volume": 441.89705646475466,
"volume_molar": 13.305831377302102,
"formula_full": "Mn4 Sb4 S8 Cl4",
"formula_reduced": "MnSbS2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.949743481775862,
"spacegroup": 62
},
{
"id": "jvasp-23959",
"created_at": "2022-09-04T14:37:44.721086Z",
"updated_at": "2022-09-04T14:37:44.721098Z",
"structure_string": "Rb4 H8 O4 F4\n1.0\n4.169622 -0.000000 0.000000\n-0.000000 7.957642 0.000000\n0.000000 0.000000 8.363844\nRb H O F\n4 8 4 4\ndirect\n0.750000 0.256215 0.046068 Rb\n0.250000 0.743785 0.953932 Rb\n0.750000 0.756215 0.453932 Rb\n0.250000 0.243785 0.546067 Rb\n0.558756 0.468387 0.764490 H\n0.058756 0.531613 0.235509 H\n0.441244 0.031613 0.264491 H\n0.941244 0.968386 0.735509 H\n0.941244 0.468387 0.764490 H\n0.058756 0.031613 0.264491 H\n0.558756 0.968386 0.735509 H\n0.441244 0.531613 0.235509 H\n0.750000 0.506484 0.701629 O\n0.250000 0.493516 0.298371 O\n0.750000 0.006484 0.798371 O\n0.250000 0.993516 0.201629 O\n0.750000 0.601983 0.140152 F\n0.750000 0.101983 0.359848 F\n0.250000 0.898017 0.640151 F\n0.250000 0.398017 0.859848 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Rb",
"H",
"O",
"F"
],
"chemical_system": "F-H-O-Rb",
"density": 2.9315176893373014,
"density_atomic": 0.07206808617304543,
"volume": 277.5153478056464,
"volume_molar": 8.3561824377298,
"formula_full": "Rb4 H8 O4 F4",
"formula_reduced": "RbH2OF",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0260047564999997,
"spacegroup": 62
},
{
"id": "jvasp-29435",
"created_at": "2022-09-04T14:38:04.713138Z",
"updated_at": "2022-09-04T14:38:04.713156Z",
"structure_string": "K4 Na4 Zn4 O8\n1.0\n5.601417 0.029949 0.000000\n-1.373935 5.674032 0.000000\n0.000000 0.000000 9.599563\nK Na Zn O\n4 4 4 8\ndirect\n0.500011 0.750056 0.377603 K\n0.000010 0.750056 0.122397 K\n-0.000011 0.249944 0.877603 K\n0.499989 0.249944 0.622397 K\n0.999960 0.749958 0.477352 Na\n0.499960 0.749958 0.022648 Na\n0.500040 0.250042 0.977351 Na\n0.000040 0.250042 0.522648 Na\n0.000127 0.750014 0.760397 Zn\n0.499872 0.249985 0.260398 Zn\n0.500127 0.750014 0.739602 Zn\n0.999873 0.249985 0.239602 Zn\n0.295663 0.431686 0.141250 O\n0.704099 0.068234 0.141281 O\n0.204336 0.568314 0.641250 O\n0.295901 0.931766 0.858719 O\n0.704337 0.568314 0.858750 O\n0.795663 0.431686 0.358750 O\n0.795901 0.931766 0.641280 O\n0.204099 0.068234 0.358719 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Na",
"Zn",
"O"
],
"chemical_system": "K-Na-O-Zn",
"density": 3.4678114453713547,
"density_atomic": 0.06546767873881545,
"volume": 305.4942589272239,
"volume_molar": 9.198647143158144,
"formula_full": "K4 Na4 Zn4 O8",
"formula_reduced": "KNaZnO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.03302288,
"spacegroup": 15
},
{
"id": "jvasp-29391",
"created_at": "2022-09-04T14:38:01.996676Z",
"updated_at": "2022-09-04T14:38:01.996696Z",
"structure_string": "Cu2 Bi2 S2 Cl4\n1.0\n4.059917 0.000000 0.000000\n-2.029959 6.398718 0.000000\n0.000000 0.000000 8.509328\nCu Bi S Cl\n2 2 2 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.707403 0.414806 0.250000 Bi\n0.292597 0.585194 0.750000 Bi\n0.935219 0.870438 0.750000 S\n0.064781 0.129562 0.250000 S\n0.351317 0.702634 0.064358 Cl\n0.351317 0.702634 0.435642 Cl\n0.648683 0.297367 0.935642 Cl\n0.648683 0.297367 0.564358 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cu",
"Bi",
"S",
"Cl"
],
"chemical_system": "Bi-Cl-Cu-S",
"density": 5.641318725779136,
"density_atomic": 0.04523708479793213,
"volume": 221.05756913091622,
"volume_molar": 13.312397973698085,
"formula_full": "Cu2 Bi2 S2 Cl4",
"formula_reduced": "CuBiSCl2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4151285769999999,
"spacegroup": 63
},
{
"id": "jvasp-100791",
"created_at": "2022-09-04T14:36:37.293443Z",
"updated_at": "2022-09-04T14:36:37.293455Z",
"structure_string": "Th2 P1 N1 O1\n1.0\n4.040206 0.000000 0.000000\n-2.020103 3.498922 0.000000\n0.000000 -0.000000 6.884751\nTh P N O\n2 1 1 1\ndirect\n0.333334 0.666666 0.276954 Th\n0.666667 0.333333 0.723846 Th\n0.000000 0.000000 0.008942 P\n0.333334 0.666666 0.621406 N\n0.666667 0.333333 0.368853 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Th",
"P",
"N",
"O"
],
"chemical_system": "N-O-P-Th",
"density": 8.958363901913902,
"density_atomic": 0.05137407273199279,
"volume": 97.32535759981299,
"volume_molar": 11.722140059668194,
"formula_full": "Th2 P1 N1 O1",
"formula_reduced": "Th2PNO",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.1822786900000004,
"spacegroup": 156
},
{
"id": "jvasp-100840",
"created_at": "2022-09-04T14:36:39.219573Z",
"updated_at": "2022-09-04T14:36:39.219582Z",
"structure_string": "Er1 B1 Pt1 Rh2\n1.0\n4.220624 -0.000000 0.000000\n0.000000 4.220624 0.000000\n-0.000000 0.000000 4.206128\nEr B Pt Rh\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 B\n0.500000 0.500000 -0.000000 Pt\n-0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n",
"nsites": 5,
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"elements": [
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"B",
"Pt",
"Rh"
],
"chemical_system": "B-Er-Pt-Rh",
"density": 12.831150367212636,
"density_atomic": 0.06673200767817,
"volume": 74.92656333844496,
"volume_molar": 9.024366221743422,
"formula_full": "Er1 B1 Pt1 Rh2",
"formula_reduced": "ErBPtRh2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.860613996666667,
"spacegroup": 123
},
{
"id": "jvasp-100664",
"created_at": "2022-09-04T14:36:39.932862Z",
"updated_at": "2022-09-04T14:36:39.932884Z",
"structure_string": "Ce1 Mn1 Si2 Pd1\n1.0\n3.838101 0.007328 -4.298434\n-0.553146 3.798039 -4.298434\n-0.006326 -0.007328 5.762597\nCe Mn Si Pd\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.749999 0.250000 0.500001 Mn\n0.625024 0.625026 1.000000 Si\n0.374973 0.374974 0.000000 Si\n0.249999 0.750000 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"Si",
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],
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"density": 7.088199982409083,
"density_atomic": 0.0596766803295827,
"volume": 83.78482134706509,
"volume_molar": 10.091279754069575,
"formula_full": "Ce1 Mn1 Si2 Pd1",
"formula_reduced": "CeMnSi2Pd",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.929713128275862,
"spacegroup": 119
},
{
"id": "jvasp-99544",
"created_at": "2022-09-04T14:36:40.039362Z",
"updated_at": "2022-09-04T14:36:40.039391Z",
"structure_string": "Tm2 Si2 Ru4 C2\n1.0\n5.904839 -0.012133 0.000000\n-4.710156 3.561137 0.000000\n-0.000000 -0.000000 7.113833\nTm Si Ru C\n2 2 4 2\ndirect\n0.545725 0.454276 0.250000 Tm\n0.454276 0.545726 0.750000 Tm\n0.267885 0.732116 0.250000 Si\n0.732116 0.267886 0.750000 Si\n0.837001 0.163000 0.055070 Ru\n0.163000 0.837002 0.944929 Ru\n0.163000 0.837002 0.555070 Ru\n0.837001 0.163000 0.444929 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Ru",
"C"
],
"chemical_system": "C-Ru-Si-Tm",
"density": 9.153399995625538,
"density_atomic": 0.06703189466538913,
"volume": 149.18271443643593,
"volume_molar": 8.983993052951012,
"formula_full": "Tm2 Si2 Ru4 C2",
"formula_reduced": "TmSiRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.037432770000001,
"spacegroup": 63
},
{
"id": "jvasp-34270",
"created_at": "2022-09-04T14:36:33.557237Z",
"updated_at": "2022-09-04T14:36:33.557253Z",
"structure_string": "Pb2 C2 Cl2 O4\n1.0\n4.172651 -0.009439 0.282658\n0.022388 4.172627 0.282582\n0.025049 0.024687 9.445239\nPb C Cl O\n2 2 2 4\ndirect\n0.780772 0.780786 0.777339 Pb\n0.219228 0.219215 0.222661 Pb\n0.631814 0.368185 0.500001 C\n0.368187 0.631814 0.499999 C\n0.729496 0.729490 0.114440 Cl\n0.270505 0.270511 0.885560 Cl\n0.328024 0.789749 0.609491 O\n0.210251 0.671980 0.390510 O\n0.789749 0.328021 0.609490 O\n0.671976 0.210252 0.390510 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"C",
"Cl",
"O"
],
"chemical_system": "C-Cl-O-Pb",
"density": 5.791149975490871,
"density_atomic": 0.06082958239520111,
"volume": 164.39369803710682,
"volume_molar": 9.900019896363931,
"formula_full": "Pb2 C2 Cl2 O4",
"formula_reduced": "PbCClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.1303123775,
"spacegroup": 12
}
]
}