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=formula_anonymous&page=4092",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4090",
"results": [
{
"id": "jvasp-40211",
"created_at": "2022-09-04T14:38:31.810036Z",
"updated_at": "2022-09-04T14:38:31.810070Z",
"structure_string": "Ca1 Sn1 S3\n1.0\n0.000000 -3.654267 -4.408345\n0.000000 -3.654267 4.408345\n-4.018693 0.000000 0.000000\nCa Sn S\n1 1 3\ndirect\n0.860117 0.139884 0.000000 Ca\n0.501008 0.498993 0.500000 Sn\n0.074150 0.925851 0.500000 S\n0.052484 0.466959 0.500000 S\n0.533042 0.947517 0.500000 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.27016485306403,
"density_atomic": 0.038617070668165956,
"volume": 129.47641842035827,
"volume_molar": 15.594504336561087,
"formula_full": "Ca1 Sn1 S3",
"formula_reduced": "CaSnS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.062858424,
"spacegroup": 38
},
{
"id": "jvasp-21452",
"created_at": "2022-09-04T14:38:31.227713Z",
"updated_at": "2022-09-04T14:38:31.227743Z",
"structure_string": "Rb1 Yb1 F3\n1.0\n4.392536 0.000000 -0.000000\n0.000000 4.392536 -0.000000\n0.000000 0.000000 4.392536\nYb Rb F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Rb",
"F"
],
"chemical_system": "F-Rb-Yb",
"density": 6.181681359720542,
"density_atomic": 0.05899619680612096,
"volume": 84.75122585327807,
"volume_molar": 10.207676233419832,
"formula_full": "Rb1 Yb1 F3",
"formula_reduced": "RbYbF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-110552",
"created_at": "2022-09-04T14:38:38.788455Z",
"updated_at": "2022-09-04T14:38:38.788485Z",
"structure_string": "Nd1 Ga3 Pt1\n1.0\n3.958391 -0.023835 -4.713859\n-0.543100 3.921030 -4.713859\n0.020887 0.023835 6.155395\nNd Ga Pt\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.614892 0.614893 0.000000 Ga\n0.385108 0.385109 0.000000 Ga\n0.750000 0.250000 0.500001 Ga\n0.250000 0.750000 0.500000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Ga",
"Pt"
],
"chemical_system": "Ga-Nd-Pt",
"density": 9.452793781669902,
"density_atomic": 0.05189295686208744,
"volume": 96.35218924387326,
"volume_molar": 11.604928923215255,
"formula_full": "Nd1 Ga3 Pt1",
"formula_reduced": "NdGa3Pt",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.483699975,
"spacegroup": 119
},
{
"id": "jvasp-20822",
"created_at": "2022-09-04T14:38:34.781309Z",
"updated_at": "2022-09-04T14:38:34.781330Z",
"structure_string": "Na4 Mg4 F12\n1.0\n5.367134 0.000000 0.000000\n-0.000000 5.527866 0.000000\n0.000000 0.000000 7.691164\nNa Mg F\n4 4 12\ndirect\n0.012999 0.949480 0.750000 Na\n0.512999 0.550522 0.250000 Na\n0.487000 0.449479 0.750000 Na\n0.987000 0.050521 0.250000 Na\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.595038 0.031127 0.750000 F\n0.095038 0.468873 0.250000 F\n0.700622 0.296345 0.049660 F\n0.200623 0.203655 0.950340 F\n0.799376 0.796346 0.450340 F\n0.200623 0.203655 0.549660 F\n0.299377 0.703656 0.950340 F\n0.799376 0.796346 0.049660 F\n0.404961 0.968873 0.250000 F\n0.700622 0.296345 0.450340 F\n0.299377 0.703656 0.549660 F\n0.904961 0.531128 0.750000 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Mg",
"F"
],
"chemical_system": "F-Mg-Na",
"density": 3.0357055954012466,
"density_atomic": 0.08764718625928059,
"volume": 228.1875876863336,
"volume_molar": 6.870888863659718,
"formula_full": "Na4 Mg4 F12",
"formula_reduced": "NaMgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-15963",
"created_at": "2022-09-04T14:38:31.521624Z",
"updated_at": "2022-09-04T14:38:31.521647Z",
"structure_string": "Tm3 Ga1 C1\n1.0\n5.181021 0.000000 0.000000\n0.000000 5.181021 0.000000\n-0.000000 -0.000000 5.181021\nTm Ga C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Tm\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tm",
"Ga",
"C"
],
"chemical_system": "C-Ga-Tm",
"density": 7.027102953926603,
"density_atomic": 0.03595207379821571,
"volume": 139.0740358417975,
"volume_molar": 16.75046839801179,
"formula_full": "Tm3 Ga1 C1",
"formula_reduced": "Tm3GaC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.281023015,
"spacegroup": 221
},
{
"id": "jvasp-119373",
"created_at": "2022-09-04T14:38:31.836547Z",
"updated_at": "2022-09-04T14:38:31.836575Z",
"structure_string": "Li4 Mn4 F12\n1.0\n4.923745 -0.000000 0.000000\n0.000000 5.339830 0.000000\n-0.000000 -0.000000 8.784999\nLi Mn F\n4 4 12\ndirect\n-0.000000 0.250000 0.201786 Li\n-0.000000 0.750000 0.798214 Li\n0.500000 0.750000 0.701786 Li\n0.500000 0.250000 0.298214 Li\n-0.000000 0.750000 0.402996 Mn\n-0.000000 0.250000 0.597004 Mn\n0.500000 0.750000 0.097004 Mn\n0.500000 0.250000 0.902996 Mn\n0.250000 0.046949 0.750000 F\n0.250000 0.546949 0.250000 F\n0.279625 0.588141 0.908410 F\n0.279625 0.088141 0.091590 F\n0.720376 0.911859 0.908410 F\n0.779626 0.411859 0.408410 F\n0.750001 0.953051 0.250000 F\n0.750001 0.453051 0.750000 F\n0.220375 0.088141 0.408410 F\n0.779626 0.911859 0.591590 F\n0.720376 0.411859 0.091590 F\n0.220375 0.588141 0.591590 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.4184733249518535,
"density_atomic": 0.08658951268948502,
"volume": 230.97485340656846,
"volume_molar": 6.954815396173604,
"formula_full": "Li4 Mn4 F12",
"formula_reduced": "LiMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.414489617775862,
"spacegroup": 52
},
{
"id": "jvasp-42494",
"created_at": "2022-09-04T14:38:31.924904Z",
"updated_at": "2022-09-04T14:38:31.924934Z",
"structure_string": "Ag4 I4 O12\n1.0\n6.090177 -0.000000 0.000000\n0.000000 6.472005 0.000000\n0.000000 0.000000 7.807547\nAg I O\n4 4 12\ndirect\n0.000000 0.500000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n0.008581 0.007542 0.250000 I\n0.491419 0.507541 0.250000 I\n0.508581 0.492458 0.750000 I\n0.991420 0.992457 0.750000 I\n0.772690 0.608289 0.250000 O\n0.727310 0.108289 0.250000 O\n0.631688 0.335405 0.574956 O\n0.631688 0.335405 0.925044 O\n0.368312 0.664594 0.425044 O\n0.131688 0.164594 0.425044 O\n0.272690 0.891710 0.750000 O\n0.227310 0.391710 0.750000 O\n0.868313 0.835405 0.574956 O\n0.131688 0.164594 0.074956 O\n0.368312 0.664594 0.074956 O\n0.868313 0.835405 0.925044 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"I",
"O"
],
"chemical_system": "Ag-I-O",
"density": 6.103239190542723,
"density_atomic": 0.06499001384070843,
"volume": 307.7395867158964,
"volume_molar": 9.26625554313677,
"formula_full": "Ag4 I4 O12",
"formula_reduced": "AgIO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.344274807,
"spacegroup": 62
},
{
"id": "jvasp-21053",
"created_at": "2022-09-04T14:38:31.326780Z",
"updated_at": "2022-09-04T14:38:31.326804Z",
"structure_string": "Er2 B6 Mo2\n1.0\n0.000000 5.401887 -0.000795\n3.151779 0.000000 0.000000\n0.000000 -1.379142 -6.696889\nEr B Mo\n2 6 2\ndirect\n0.824472 0.750000 0.290843 Er\n0.175529 0.250000 0.709157 Er\n0.581882 0.250000 0.523597 B\n0.418119 0.750000 0.476403 B\n0.587636 0.250000 0.004551 B\n0.412365 0.750000 0.995449 B\n0.916218 0.250000 0.007000 B\n0.083783 0.750000 0.992999 B\n0.689661 0.750000 0.778147 Mo\n0.310339 0.250000 0.221852 Mo\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Er",
"B",
"Mo"
],
"chemical_system": "B-Er-Mo",
"density": 8.610790419135164,
"density_atomic": 0.08770260319723756,
"volume": 114.02170101508432,
"volume_molar": 6.866547332074726,
"formula_full": "Er2 B6 Mo2",
"formula_reduced": "ErB3Mo",
"formula_anonymous": "ABC3",
"energy_above_hull": 4.299856729999999,
"spacegroup": 11
},
{
"id": "jvasp-70148",
"created_at": "2022-09-04T14:35:58.469618Z",
"updated_at": "2022-09-04T14:35:58.469643Z",
"structure_string": "Be1 Bi1 F3\n1.0\n4.617287 0.000000 -0.000000\n0.000000 4.617287 0.000000\n-0.000000 0.000000 4.617287\nBe Bi F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Bi\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Be",
"Bi",
"F"
],
"chemical_system": "Be-Bi-F",
"density": 4.6387599648130875,
"density_atomic": 0.05079364670531595,
"volume": 98.43750792314566,
"volume_molar": 11.856090575535967,
"formula_full": "Be1 Bi1 F3",
"formula_reduced": "BeBiF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2285982495,
"spacegroup": 221
},
{
"id": "jvasp-96801",
"created_at": "2022-09-04T14:35:50.855728Z",
"updated_at": "2022-09-04T14:35:50.855752Z",
"structure_string": "Hg4 Se4 O12\n1.0\n4.275964 -0.040075 0.000000\n-1.596405 7.264970 0.000000\n0.000000 0.000000 10.386680\nHg Se O\n4 4 12\ndirect\n0.091977 0.403899 0.828043 Hg\n0.908023 0.596100 0.171957 Hg\n0.908023 0.096100 0.328043 Hg\n0.091977 0.903899 0.671957 Hg\n0.345504 0.679155 0.424425 Se\n0.345503 0.179155 0.075575 Se\n0.654496 0.820845 0.924425 Se\n0.654496 0.320845 0.575575 Se\n0.500729 0.276204 0.216303 O\n0.161537 0.857792 0.475652 O\n0.838463 0.642207 0.975652 O\n0.988799 0.478378 0.638041 O\n0.011200 0.021621 0.138041 O\n0.499270 0.223795 0.716303 O\n0.011201 0.521621 0.361959 O\n0.500730 0.776204 0.283697 O\n0.988800 0.978378 0.861959 O\n0.838463 0.142207 0.524348 O\n0.161536 0.357792 0.024348 O\n0.499271 0.723795 0.783697 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Hg",
"Se",
"O"
],
"chemical_system": "Hg-O-Se",
"density": 6.756705866780612,
"density_atomic": 0.062112742212798285,
"volume": 321.9951218943126,
"volume_molar": 9.695499740404543,
"formula_full": "Hg4 Se4 O12",
"formula_reduced": "HgSeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3536556933333332,
"spacegroup": 14
},
{
"id": "jvasp-15445",
"created_at": "2022-09-04T14:35:50.857526Z",
"updated_at": "2022-09-04T14:35:50.857557Z",
"structure_string": "Ba1 Pr1 O3\n1.0\n4.581324 -0.000000 -0.000000\n-0.000000 4.581324 0.000000\n-0.000000 -0.000000 4.581324\nBa Pr O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Pr\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Pr",
"O"
],
"chemical_system": "Ba-O-Pr",
"density": 5.633830370485922,
"density_atomic": 0.05199923845920768,
"volume": 96.1552543490112,
"volume_molar": 11.581209530066953,
"formula_full": "Ba1 Pr1 O3",
"formula_reduced": "BaPrO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3072652640000002,
"spacegroup": 221
},
{
"id": "jvasp-86503",
"created_at": "2022-09-04T14:35:53.681641Z",
"updated_at": "2022-09-04T14:35:53.681669Z",
"structure_string": "La2 Al2 O6\n1.0\n4.662982 0.003305 2.686721\n1.554306 4.396309 2.686721\n0.004670 0.003305 5.381620\nLa Al O\n2 2 6\ndirect\n0.250000 0.250001 0.250000 La\n0.750000 0.750002 0.749999 La\n0.000000 0.000000 0.000000 Al\n0.500000 0.500001 0.499999 Al\n0.750000 0.750001 0.249999 O\n0.749999 0.250002 0.749999 O\n0.250000 0.750001 0.749999 O\n0.750000 0.250001 0.250000 O\n0.250000 0.750001 0.249999 O\n0.250000 0.250001 0.749999 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"La",
"Al",
"O"
],
"chemical_system": "Al-La-O",
"density": 6.445098482704559,
"density_atomic": 0.09073392812522502,
"volume": 110.21235613428591,
"volume_molar": 6.637143221319192,
"formula_full": "La2 Al2 O6",
"formula_reduced": "LaAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.57853166,
"spacegroup": 221
}
]
}