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=updated_at&page=1001",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=999",
"results": [
{
"id": "jvasp-67557",
"created_at": "2022-09-04T14:36:13.915328Z",
"updated_at": "2022-09-04T14:36:13.915348Z",
"structure_string": "Be1 Hg1 Se1\n1.0\n-1.664935 1.664935 5.813707\n1.664935 -1.664935 5.813707\n1.664935 1.664935 -5.813707\nBe Hg Se\n1 1 1\ndirect\n0.112373 0.112373 0.000000 Be\n0.318936 0.318936 0.000000 Hg\n0.568692 0.568692 0.000000 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Hg",
"Se"
],
"chemical_system": "Be-Hg-Se",
"density": 7.4332854878687415,
"density_atomic": 0.04653862597907623,
"volume": 64.46258214303104,
"volume_molar": 12.940091447279848,
"formula_full": "Be1 Hg1 Se1",
"formula_reduced": "BeHgSe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4436713555555552,
"spacegroup": 107
},
{
"id": "jvasp-50879",
"created_at": "2022-09-04T14:36:13.917358Z",
"updated_at": "2022-09-04T14:36:13.917383Z",
"structure_string": "Li3 Cr1 S4\n1.0\n5.815533 -0.000000 0.000000\n-0.000000 5.815533 0.000000\n-0.000000 -0.000000 5.815533\nLi Cr S\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Cr\n0.211862 0.211862 0.211862 S\n0.211862 0.788138 0.788138 S\n0.788138 0.211862 0.788138 S\n0.788138 0.788138 0.211862 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Cr",
"S"
],
"chemical_system": "Cr-Li-S",
"density": 1.6976472599061898,
"density_atomic": 0.040674424198303624,
"volume": 196.68379227685907,
"volume_molar": 14.805718528773076,
"formula_full": "Li3 Cr1 S4",
"formula_reduced": "Li3CrS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.9787184250000005,
"spacegroup": 215
},
{
"id": "jvasp-65782",
"created_at": "2022-09-04T14:36:13.918787Z",
"updated_at": "2022-09-04T14:36:13.918810Z",
"structure_string": "Ba1 Sc1 Pb2\n1.0\n4.238483 0.000000 0.000000\n0.000000 4.238483 0.000000\n0.000000 -0.000000 7.896728\nBa Sc Pb\n1 1 2\ndirect\n0.500000 0.500000 0.766213 Ba\n0.000000 0.000000 0.383116 Sc\n0.000000 0.000000 0.022501 Pb\n0.500000 0.500000 0.328170 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Pb"
],
"chemical_system": "Ba-Pb-Sc",
"density": 6.9843280166316974,
"density_atomic": 0.028196286904695504,
"volume": 141.8626506929848,
"volume_molar": 21.35792127649665,
"formula_full": "Ba1 Sc1 Pb2",
"formula_reduced": "BaScPb2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.677328215,
"spacegroup": 99
},
{
"id": "jvasp-75604",
"created_at": "2022-09-04T14:36:13.921920Z",
"updated_at": "2022-09-04T14:36:13.921955Z",
"structure_string": "Zn2 As1 Rh1\n1.0\n0.000000 3.131454 3.131454\n3.131454 0.000000 3.131454\n3.131454 3.131454 0.000000\nZn As Rh\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.749999 0.749999 0.749999 Zn\n0.499999 0.499999 0.499999 As\n0.250000 0.250000 0.250000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"As",
"Rh"
],
"chemical_system": "As-Rh-Zn",
"density": 8.345269745905549,
"density_atomic": 0.0651316208906348,
"volume": 61.414101864846344,
"volume_molar": 9.246109151977079,
"formula_full": "Zn2 As1 Rh1",
"formula_reduced": "Zn2AsRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5173288875,
"spacegroup": 216
},
{
"id": "jvasp-12153",
"created_at": "2022-09-04T14:36:13.926366Z",
"updated_at": "2022-09-04T14:36:13.926393Z",
"structure_string": "Y2 C2 Br2\n1.0\n3.440916 1.892797 -0.598883\n-3.440916 1.892797 0.598883\n0.014698 0.000000 9.960681\nY C Br\n2 2 2\ndirect\n0.589511 0.410490 0.850795 Y\n0.410490 0.589511 0.149205 Y\n0.912727 0.087274 0.961390 C\n0.087274 0.912727 0.038610 C\n0.201506 0.798496 0.660155 Br\n0.798496 0.201506 0.339845 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"C",
"Br"
],
"chemical_system": "Br-C-Y",
"density": 4.627199440361216,
"density_atomic": 0.0462319902755714,
"volume": 129.7802660935917,
"volume_molar": 13.025917171431075,
"formula_full": "Y2 C2 Br2",
"formula_reduced": "YCBr",
"formula_anonymous": "ABC",
"energy_above_hull": 2.213699851666666,
"spacegroup": 12
},
{
"id": "jvasp-98012",
"created_at": "2022-09-04T14:36:13.937643Z",
"updated_at": "2022-09-04T14:36:13.937663Z",
"structure_string": "Rb3 Ir1 N6 O12\n1.0\n6.467427 -0.000000 3.733970\n2.155809 6.097548 3.733970\n0.000000 -0.000000 7.467941\nRb Ir N O\n3 1 6 12\ndirect\n0.750000 0.750000 0.749999 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ir\n0.808077 0.808076 0.191923 N\n0.191924 0.808076 0.191924 N\n0.191924 0.191924 0.808076 N\n0.808076 0.191924 0.808076 N\n0.191924 0.808076 0.808076 N\n0.808076 0.191924 0.191924 N\n0.410792 0.000000 0.589208 O\n0.000000 0.410792 0.589208 O\n0.000000 0.000000 0.589208 O\n0.000000 0.589208 -0.000000 O\n0.000000 0.589208 0.410792 O\n0.410792 0.000000 -0.000000 O\n0.000000 0.410792 -0.000000 O\n0.589209 0.000000 0.410791 O\n0.589209 0.410792 -0.000000 O\n0.410792 0.589208 -0.000000 O\n0.589209 0.000000 -0.000000 O\n0.000000 0.000000 0.410792 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Rb",
"Ir",
"N",
"O"
],
"chemical_system": "Ir-N-O-Rb",
"density": 4.085938169122155,
"density_atomic": 0.07470248336535787,
"volume": 294.5015882859145,
"volume_molar": 8.061500085006111,
"formula_full": "Rb3 Ir1 N6 O12",
"formula_reduced": "Rb3Ir(NO2)6",
"formula_anonymous": "AB3C6D12",
"energy_above_hull": 3.5922342090909094,
"spacegroup": 225
},
{
"id": "jvasp-99479",
"created_at": "2022-09-04T14:36:13.939960Z",
"updated_at": "2022-09-04T14:36:13.939981Z",
"structure_string": "K2 Cu1 Sb1 Cl6\n1.0\n6.274799 -0.000000 3.622757\n2.091600 5.915937 3.622757\n-0.000000 -0.000000 7.245513\nK Cu Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Sb\n0.740962 0.259038 0.259038 Cl\n0.259038 0.259038 0.740962 Cl\n0.259038 0.740962 0.740962 Cl\n0.259038 0.740962 0.259038 Cl\n0.740962 0.259038 0.740962 Cl\n0.740962 0.740962 0.259039 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Cu",
"Sb",
"Cl"
],
"chemical_system": "Cl-Cu-K-Sb",
"density": 2.940118103386089,
"density_atomic": 0.03717983866244763,
"volume": 268.9629745515867,
"volume_molar": 16.19732891977953,
"formula_full": "K2 Cu1 Sb1 Cl6",
"formula_reduced": "K2CuSbCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-69533",
"created_at": "2022-09-04T14:36:13.941214Z",
"updated_at": "2022-09-04T14:36:13.941235Z",
"structure_string": "Ca4 Ta1 Be1\n1.0\n-0.000000 4.410687 4.410687\n4.410687 0.000000 4.410687\n4.410687 4.410687 0.000000\nCa Ta Be\n4 1 1\ndirect\n0.125685 0.624772 0.624772 Ca\n0.624772 0.624772 0.624772 Ca\n0.624772 0.125685 0.624772 Ca\n0.624772 0.624772 0.125685 Ca\n0.250000 0.250000 0.250000 Ta\n0.000000 0.000000 0.000000 Be\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Ta",
"Be"
],
"chemical_system": "Be-Ca-Ta",
"density": 3.389267772055661,
"density_atomic": 0.03496250455231158,
"volume": 171.61241955714826,
"volume_molar": 17.224569112288727,
"formula_full": "Ca4 Ta1 Be1",
"formula_reduced": "Ca4TaBe",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4521428300000006,
"spacegroup": 216
},
{
"id": "jvasp-86557",
"created_at": "2022-09-04T14:36:13.941360Z",
"updated_at": "2022-09-04T14:36:13.941388Z",
"structure_string": "Cu2 Bi4 O8\n1.0\n4.997491 0.000000 2.421234\n2.498746 6.249206 1.210616\n-0.225984 -0.000000 6.834533\nCu Bi O\n2 4 8\ndirect\n0.680039 -0.000000 -0.000000 Cu\n0.180039 -0.000000 -0.000000 Cu\n0.656289 0.500007 0.164237 Bi\n0.820527 0.835763 0.500006 Bi\n0.156296 0.164238 0.499993 Bi\n0.320533 0.499994 0.835762 Bi\n0.763771 0.091572 0.704284 O\n0.355342 0.908436 0.704273 O\n0.559628 0.908429 0.295715 O\n0.468055 0.295716 0.091572 O\n0.059616 0.295726 0.908435 O\n0.968050 0.091565 0.295726 O\n0.855344 0.704285 0.908427 O\n0.263777 0.704274 0.091565 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Cu",
"Bi",
"O"
],
"chemical_system": "Bi-Cu-O",
"density": 8.353904923551362,
"density_atomic": 0.0645565351147822,
"volume": 216.86417920521683,
"volume_molar": 9.328475806969147,
"formula_full": "Cu2 Bi4 O8",
"formula_reduced": "Cu(BiO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6405704357142854,
"spacegroup": 108
},
{
"id": "jvasp-92333",
"created_at": "2022-09-04T14:36:13.942740Z",
"updated_at": "2022-09-04T14:36:13.942762Z",
"structure_string": "Sm1 Ti1 O3\n1.0\n3.902692 -0.000000 0.000000\n0.000000 3.902692 0.000000\n-0.000000 -0.000000 3.902692\nSm Ti O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sm",
"Ti",
"O"
],
"chemical_system": "O-Sm-Ti",
"density": 6.878421129398699,
"density_atomic": 0.0841157206129023,
"volume": 59.44192076781736,
"volume_molar": 7.159352278171268,
"formula_full": "Sm1 Ti1 O3",
"formula_reduced": "SmTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.0221755416666665,
"spacegroup": 221
},
{
"id": "jvasp-71193",
"created_at": "2022-09-04T14:36:13.946726Z",
"updated_at": "2022-09-04T14:36:13.946746Z",
"structure_string": "Ca1 Be1 Cd1\n1.0\n2.235042 -3.871207 0.000000\n2.235042 3.871207 -0.000000\n-0.000000 -0.000000 3.773196\nCa Be Cd\n1 1 1\ndirect\n0.666667 0.333332 0.333297 Ca\n0.000000 0.000000 0.833337 Be\n0.333332 0.666667 0.833369 Cd\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Cd"
],
"chemical_system": "Be-Ca-Cd",
"density": 4.10727099830625,
"density_atomic": 0.045946222424205596,
"volume": 65.2937247441593,
"volume_molar": 13.106933371800745,
"formula_full": "Ca1 Be1 Cd1",
"formula_reduced": "CaBeCd",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2390227533333332,
"spacegroup": 187
},
{
"id": "jvasp-71092",
"created_at": "2022-09-04T14:36:13.965417Z",
"updated_at": "2022-09-04T14:36:13.965450Z",
"structure_string": "Sc2 Be1 Rh1\n1.0\n3.085824 -0.000000 0.000000\n-0.000000 3.085824 0.000000\n0.000000 -0.000000 7.051380\nSc Be Rh\n2 1 1\ndirect\n0.000000 0.000000 0.949307 Sc\n0.499999 0.499999 0.304221 Sc\n0.000000 0.000000 0.556870 Be\n0.499999 0.499999 0.689601 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Be",
"Rh"
],
"chemical_system": "Be-Rh-Sc",
"density": 4.99134202457983,
"density_atomic": 0.05957219013103211,
"volume": 67.14542458824819,
"volume_molar": 10.108979956509891,
"formula_full": "Sc2 Be1 Rh1",
"formula_reduced": "Sc2BeRh",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.3786999,
"spacegroup": 99
}
]
}