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=1285",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=1283",
"results": [
{
"id": "jvasp-1231",
"created_at": "2022-09-04T14:37:16.446664Z",
"updated_at": "2022-09-04T14:37:16.446686Z",
"structure_string": "Ba1 Ti1 O3\n1.0\n4.051447 0.001750 0.010947\n0.010922 4.051433 0.010947\n0.001754 0.001750 4.051461\nBa Ti O\n1 1 3\ndirect\n0.999306 0.999306 0.999308 Ba\n0.486016 0.486016 0.486017 Ti\n0.020290 0.511644 0.511644 O\n0.511644 0.511644 0.020291 O\n0.511644 0.020291 0.511644 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 5.8228305291613704,
"density_atomic": 0.07518670238617134,
"volume": 66.50112109345045,
"volume_molar": 8.009582238451273,
"formula_full": "Ba1 Ti1 O3",
"formula_reduced": "BaTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6323609606666667,
"spacegroup": 160
},
{
"id": "jvasp-8764",
"created_at": "2022-09-04T14:37:04.555579Z",
"updated_at": "2022-09-04T14:37:04.555597Z",
"structure_string": "Hf4 N3\n1.0\n6.397398 -0.000000 -0.000000\n6.397398 5.561544 0.014874\n3.198700 3.714693 2.626728\nHf N\n4 3\ndirect\n0.990214 0.000004 0.019566 Hf\n0.250000 0.500000 -0.000001 Hf\n0.750001 0.500000 -0.000001 Hf\n0.509787 -0.000005 0.980435 Hf\n0.000005 0.500000 0.500000 N\n0.499997 0.500000 0.500000 N\n0.750001 -0.000001 0.500000 N\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Hf",
"N"
],
"chemical_system": "Hf-N",
"density": 13.483147833411307,
"density_atomic": 0.0751847699669957,
"volume": 93.10396245240666,
"volume_molar": 8.009788102887825,
"formula_full": "Hf4 N3",
"formula_reduced": "Hf4N3",
"formula_anonymous": "A3B4",
"energy_above_hull": 5.859655964285714,
"spacegroup": 139
},
{
"id": "jvasp-10197",
"created_at": "2022-09-04T14:38:04.746785Z",
"updated_at": "2022-09-04T14:38:04.746811Z",
"structure_string": "Ca2 Sn2 O6\n1.0\n4.962129 -0.000000 2.864886\n1.654043 4.678340 2.864886\n-0.000000 0.000000 5.729773\nCa Sn O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500001 Ca\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.750001 Sn\n0.500000 0.500000 0.000001 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.163015127321696,
"density_atomic": 0.07518007452500564,
"volume": 133.01396763944282,
"volume_molar": 8.010288361708097,
"formula_full": "Ca2 Sn2 O6",
"formula_reduced": "CaSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.095836093333333,
"spacegroup": 221
},
{
"id": "jvasp-61699",
"created_at": "2022-09-04T14:35:48.462092Z",
"updated_at": "2022-09-04T14:35:48.462108Z",
"structure_string": "Y1 B2 Rh3\n1.0\n4.680495 2.702227 -0.021256\n-4.680495 2.702227 -0.021256\n0.000000 0.024831 3.155052\nY B Rh\n1 2 3\ndirect\n0.500000 0.500000 0.499998 Y\n0.166675 0.833326 0.499998 B\n0.833326 0.166675 0.499998 B\n0.000000 0.000000 0.000000 Rh\n0.500001 0.000000 -0.000001 Rh\n0.000000 0.500001 -0.000001 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Y",
"B",
"Rh"
],
"chemical_system": "B-Rh-Y",
"density": 8.722466269029807,
"density_atomic": 0.07517513783730474,
"volume": 79.81362153249785,
"volume_molar": 8.010814390567816,
"formula_full": "Y1 B2 Rh3",
"formula_reduced": "YB2Rh3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.680628269444445,
"spacegroup": 191
},
{
"id": "jvasp-103083",
"created_at": "2022-09-04T14:36:43.929150Z",
"updated_at": "2022-09-04T14:36:43.929179Z",
"structure_string": "K1 Ba1 Li1 Zn1 F6\n1.0\n4.962240 -0.000000 2.864950\n1.654080 4.678444 2.864950\n0.000000 0.000000 5.729901\nK Ba Li Zn F\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ba\n0.250000 0.250000 0.250000 Li\n0.750000 0.749999 0.750000 Zn\n0.001620 0.498379 0.498380 F\n0.001620 0.001620 0.498380 F\n0.498380 0.001620 0.498380 F\n0.498380 0.498379 0.001620 F\n0.001620 0.498379 0.001620 F\n0.498380 0.001620 0.001620 F\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ba",
"Li",
"Zn",
"F"
],
"chemical_system": "Ba-F-K-Li-Zn",
"density": 4.528444178374576,
"density_atomic": 0.07517504227118958,
"volume": 133.0228716589953,
"volume_molar": 8.010824574298846,
"formula_full": "K1 Ba1 Li1 Zn1 F6",
"formula_reduced": "KBaLiZnF6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-96943",
"created_at": "2022-09-04T14:36:21.654732Z",
"updated_at": "2022-09-04T14:36:21.654758Z",
"structure_string": "Na8 Cu5 O10\n1.0\n5.583590 -0.006079 -1.073363\n-2.305489 6.738968 -3.947634\n0.011447 -0.016981 8.143240\nNa Cu O\n8 5 10\ndirect\n0.402243 0.269537 0.537006 Na\n0.367872 0.737700 0.959944 Na\n0.088865 0.518498 0.518498 Na\n0.142692 0.855573 0.298760 Na\n0.402243 0.537006 0.269537 Na\n0.367872 0.959943 0.737701 Na\n0.142692 0.298760 0.855573 Na\n0.142765 0.086530 0.086530 Na\n0.749889 0.418069 0.019581 Cu\n0.781237 0.826379 0.627431 Cu\n0.720605 0.197430 0.197430 Cu\n0.749889 0.019580 0.418069 Cu\n0.781237 0.627431 0.826380 Cu\n0.007945 0.987345 0.574110 O\n0.526954 0.479426 0.874312 O\n0.529171 0.653330 0.653331 O\n0.980143 0.160123 0.356042 O\n0.980143 0.356042 0.160124 O\n0.007945 0.574109 0.987345 O\n0.526954 0.874311 0.479426 O\n0.031180 0.781557 0.781557 O\n0.487336 0.046751 0.258762 O\n0.487336 0.258762 0.046751 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Na",
"Cu",
"O"
],
"chemical_system": "Cu-Na-O",
"density": 3.5908946320168216,
"density_atomic": 0.0751723683771126,
"volume": 305.9634876024833,
"volume_molar": 8.01110952070726,
"formula_full": "Na8 Cu5 O10",
"formula_reduced": "Na8(CuO2)5",
"formula_anonymous": "A5B8C10",
"energy_above_hull": 0.8521193260869567,
"spacegroup": 8
},
{
"id": "jvasp-110525",
"created_at": "2022-09-04T14:38:39.205054Z",
"updated_at": "2022-09-04T14:38:39.205070Z",
"structure_string": "V6 Ga1 Si1\n1.0\n4.738906 0.000000 -0.000000\n0.000000 4.738906 -0.000000\n0.000000 0.000000 4.738906\nV Ga Si\n6 1 1\ndirect\n0.000000 0.500000 0.757780 V\n0.500000 0.242220 0.000000 V\n0.757780 0.000000 0.500000 V\n0.000000 0.500000 0.242220 V\n0.500000 0.757780 0.000000 V\n0.242220 0.000000 0.500000 V\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"V",
"Ga",
"Si"
],
"chemical_system": "Ga-Si-V",
"density": 6.295244582599623,
"density_atomic": 0.07517193064081061,
"volume": 106.4227023544986,
"volume_molar": 8.011156170479676,
"formula_full": "V6 Ga1 Si1",
"formula_reduced": "V6GaSi",
"formula_anonymous": "ABC6",
"energy_above_hull": 4.163758265625,
"spacegroup": 200
},
{
"id": "jvasp-87074",
"created_at": "2022-09-04T14:36:05.661192Z",
"updated_at": "2022-09-04T14:36:05.661221Z",
"structure_string": "S1 F6\n1.0\n4.662789 -0.000000 -1.648544\n-2.331394 4.038094 -1.648544\n-0.000000 -0.000000 4.945634\nS F\n1 6\ndirect\n0.000000 0.000000 0.000000 S\n0.000000 0.721247 0.721248 F\n0.000000 0.278752 0.278752 F\n0.278752 0.000000 0.278752 F\n0.721248 0.000000 0.721248 F\n0.721249 0.721247 0.000001 F\n0.278752 0.278752 0.000000 F\n",
"nsites": 7,
"nelements": 2,
"elements": [
"S",
"F"
],
"chemical_system": "F-S",
"density": 2.6044895065098714,
"density_atomic": 0.0751716146873101,
"volume": 93.12025595190104,
"volume_molar": 8.011189842136798,
"formula_full": "S1 F6",
"formula_reduced": "SF6",
"formula_anonymous": "AB6",
"energy_above_hull": 0.0009442857142856,
"spacegroup": 229
},
{
"id": "jvasp-19727",
"created_at": "2022-09-04T14:38:31.198715Z",
"updated_at": "2022-09-04T14:38:31.198739Z",
"structure_string": "Si4 Rh4\n1.0\n4.738932 -0.000000 0.000000\n0.000000 4.738932 0.000000\n0.000000 0.000000 4.738932\nSi Rh\n4 4\ndirect\n0.159088 0.340911 0.659088 Si\n0.340911 0.659088 0.159088 Si\n0.659088 0.159088 0.340911 Si\n0.840911 0.840911 0.840911 Si\n0.846015 0.653984 0.346016 Rh\n0.653984 0.346016 0.846015 Rh\n0.346016 0.846015 0.653984 Rh\n0.153984 0.153984 0.153984 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Rh"
],
"chemical_system": "Rh-Si",
"density": 8.175401973522371,
"density_atomic": 0.07517069336236462,
"volume": 106.4244540280551,
"volume_molar": 8.01128803078871,
"formula_full": "Si4 Rh4",
"formula_reduced": "SiRh",
"formula_anonymous": "AB",
"energy_above_hull": 1.6767658000000003,
"spacegroup": 198
},
{
"id": "jvasp-67743",
"created_at": "2022-09-04T14:35:57.904736Z",
"updated_at": "2022-09-04T14:35:57.904759Z",
"structure_string": "Mg1 Be1 Ru2\n1.0\n-2.111734 2.111734 2.983180\n2.111734 -2.111734 2.983180\n2.111734 2.111734 -2.983180\nMg Be Ru\n1 1 2\ndirect\n0.749999 0.250000 0.499999 Mg\n0.500000 0.500000 0.000000 Be\n0.000000 0.000000 0.000000 Ru\n0.250000 0.749999 0.499999 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Be",
"Ru"
],
"chemical_system": "Be-Mg-Ru",
"density": 7.347560397569022,
"density_atomic": 0.07516957876791949,
"volume": 53.21301603072307,
"volume_molar": 8.01140682002877,
"formula_full": "Mg1 Be1 Ru2",
"formula_reduced": "MgBeRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5086715375000006,
"spacegroup": 216
},
{
"id": "jvasp-87919",
"created_at": "2022-09-04T14:36:04.470021Z",
"updated_at": "2022-09-04T14:36:04.470046Z",
"structure_string": "Li8 B4 Pt12\n1.0\n6.834770 0.000000 0.000000\n0.000000 6.834770 0.000000\n-0.000000 0.000000 6.834770\nLi B Pt\n8 4 12\ndirect\n0.302835 0.302835 0.302835 Li\n0.052835 0.447165 0.552835 Li\n0.552835 0.052835 0.447165 Li\n0.447165 0.552835 0.052835 Li\n0.197165 0.697165 0.802835 Li\n0.947165 0.947165 0.947165 Li\n0.802835 0.197165 0.697165 Li\n0.697165 0.802835 0.197165 Li\n0.625000 0.625000 0.625000 B\n0.125000 0.875000 0.375000 B\n0.875000 0.375000 0.125000 B\n0.375000 0.125000 0.875000 B\n0.125000 0.311920 0.938080 Pt\n0.188080 0.061920 0.625000 Pt\n0.438080 0.375000 0.688080 Pt\n0.061920 0.625000 0.188080 Pt\n0.938080 0.125000 0.311920 Pt\n0.311920 0.938080 0.125000 Pt\n0.688080 0.438080 0.375000 Pt\n0.561920 0.875000 0.811920 Pt\n0.625000 0.188080 0.061920 Pt\n0.375000 0.688080 0.438080 Pt\n0.875000 0.811920 0.561920 Pt\n0.811920 0.561920 0.875000 Pt\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"B",
"Pt"
],
"chemical_system": "B-Li-Pt",
"density": 12.689019091874341,
"density_atomic": 0.0751691307616281,
"volume": 319.2799990744523,
"volume_molar": 8.011454567829258,
"formula_full": "Li8 B4 Pt12",
"formula_reduced": "Li2BPt3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.4438927972222224,
"spacegroup": 212
},
{
"id": "jvasp-25884",
"created_at": "2022-09-04T14:38:32.443931Z",
"updated_at": "2022-09-04T14:38:32.443966Z",
"structure_string": "Pr2 B4 Cl2 O8\n1.0\n-4.239129 -0.006920 0.002675\n2.024346 6.273332 -0.007224\n-0.135883 -1.121464 -8.007072\nPr B Cl O\n2 4 2 8\ndirect\n0.787324 0.029841 0.777761 Pr\n0.212675 0.970159 0.222237 Pr\n0.168262 0.650101 0.852867 B\n0.564571 0.435464 0.805006 B\n0.435427 0.564536 0.194993 B\n0.831737 0.349899 0.147131 B\n0.144095 0.795602 0.541170 Cl\n0.855904 0.204398 0.458829 Cl\n0.633889 0.766522 0.210649 O\n0.097041 0.537381 0.176319 O\n0.837303 0.152986 0.079086 O\n0.366110 0.233478 0.789350 O\n0.902958 0.462620 0.823679 O\n0.162695 0.847014 0.920913 O\n0.481310 0.626103 0.816914 O\n0.518689 0.373897 0.183085 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Pr",
"B",
"Cl",
"O"
],
"chemical_system": "B-Cl-O-Pr",
"density": 4.087572924335524,
"density_atomic": 0.07516884047746378,
"volume": 212.85415470519237,
"volume_molar": 8.01148550615928,
"formula_full": "Pr2 B4 Cl2 O8",
"formula_reduced": "PrB2ClO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.6120166355208334,
"spacegroup": 2
}
]
}