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=-spacegroup&page=684",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=682",
"results": [
{
"id": "jvasp-122907",
"created_at": "2022-09-04T14:38:52.944891Z",
"updated_at": "2022-09-04T14:38:52.944919Z",
"structure_string": "V1 In1\n1.0\n3.262917 0.000000 -0.000000\n0.000000 3.262917 0.000000\n0.000000 -0.000000 3.262917\nV In\n1 1\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 In\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"In"
],
"chemical_system": "In-V",
"density": 7.923361039711204,
"density_atomic": 0.057572079416178625,
"volume": 34.73906136935484,
"volume_molar": 10.460175871826662,
"formula_full": "V1 In1",
"formula_reduced": "VIn",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-118356",
"created_at": "2022-09-04T14:38:53.003675Z",
"updated_at": "2022-09-04T14:38:53.003712Z",
"structure_string": "Mg1 Fe1 H3\n1.0\n3.283997 0.000000 -0.000000\n-0.000000 3.283997 -0.000000\n-0.000000 0.000000 3.283997\nMg Fe H\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"H"
],
"chemical_system": "Fe-H-Mg",
"density": 3.8996667049230953,
"density_atomic": 0.1411762849310513,
"volume": 35.41671324218466,
"volume_molar": 4.26568864801984,
"formula_full": "Mg1 Fe1 H3",
"formula_reduced": "MgFeH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.16360891,
"spacegroup": 221
},
{
"id": "jvasp-122903",
"created_at": "2022-09-04T14:38:52.870535Z",
"updated_at": "2022-09-04T14:38:52.870562Z",
"structure_string": "V1 I1\n1.0\n3.371855 0.000000 0.000000\n0.000000 3.371855 0.000000\n-0.000000 0.000000 3.371855\nV I\n1 1\ndirect\n0.500001 0.500001 0.500001 V\n0.000000 0.000000 0.000000 I\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"I"
],
"chemical_system": "I-V",
"density": 7.703471050570629,
"density_atomic": 0.05217029885260068,
"volume": 38.33598894364586,
"volume_molar": 11.543236079621954,
"formula_full": "V1 I1",
"formula_reduced": "VI",
"formula_anonymous": "AB",
"energy_above_hull": null,
"spacegroup": 221
},
{
"id": "jvasp-121022",
"created_at": "2022-09-04T14:38:52.295994Z",
"updated_at": "2022-09-04T14:38:52.296021Z",
"structure_string": "Rb1 Mn1 F3\n1.0\n4.248993 0.000000 0.000000\n-0.000000 4.248993 0.000000\n-0.000000 -0.000000 4.248993\nRb Mn F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Mn\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": [
"Rb",
"Mn",
"F"
],
"chemical_system": "F-Mn-Rb",
"density": 4.273075035771001,
"density_atomic": 0.06517964000874137,
"volume": 76.71107111560359,
"volume_molar": 9.2392973621707,
"formula_full": "Rb1 Mn1 F3",
"formula_reduced": "RbMnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2217716698505746,
"spacegroup": 221
},
{
"id": "jvasp-117995",
"created_at": "2022-09-04T14:38:52.377432Z",
"updated_at": "2022-09-04T14:38:52.377458Z",
"structure_string": "Ca1 V1 O3\n1.0\n3.791737 -0.000000 0.000000\n-0.000000 3.791737 0.000000\n-0.000000 -0.000000 3.791737\nCa V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.500001 0.500001 V\n0.500001 0.500001 0.000000 O\n0.500001 0.000000 0.500001 O\n0.000000 0.500001 0.500001 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"V",
"O"
],
"chemical_system": "Ca-O-V",
"density": 4.2345237894855385,
"density_atomic": 0.0917181708540103,
"volume": 54.51482463555235,
"volume_molar": 6.56591894924024,
"formula_full": "Ca1 V1 O3",
"formula_reduced": "CaVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7799910240000003,
"spacegroup": 221
},
{
"id": "jvasp-119956",
"created_at": "2022-09-04T14:38:52.079438Z",
"updated_at": "2022-09-04T14:38:52.079451Z",
"structure_string": "Ba1 V1 O3\n1.0\n3.955397 0.000000 -0.000000\n-0.000000 3.955397 -0.000000\n0.000000 0.000000 3.955397\nBa V O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"V",
"O"
],
"chemical_system": "Ba-O-V",
"density": 6.339884901380777,
"density_atomic": 0.08079784263188135,
"volume": 61.88284039686836,
"volume_molar": 7.453343509971111,
"formula_full": "Ba1 V1 O3",
"formula_reduced": "BaVO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.831812134,
"spacegroup": 221
},
{
"id": "jvasp-117814",
"created_at": "2022-09-04T14:38:51.621539Z",
"updated_at": "2022-09-04T14:38:51.621568Z",
"structure_string": "Rb1 In1 Br3\n1.0\n5.667795 0.000000 -0.000000\n0.000000 5.667795 -0.000000\n0.000000 0.000000 5.667795\nRb In Br\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.500000 0.500000 Br\n0.500000 0.000000 0.500000 Br\n0.500000 0.500000 0.000000 Br\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"In",
"Br"
],
"chemical_system": "Br-In-Rb",
"density": 4.01288950172531,
"density_atomic": 0.027461711674544052,
"volume": 182.0716807188245,
"volume_molar": 21.929225793970783,
"formula_full": "Rb1 In1 Br3",
"formula_reduced": "RbInBr3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0020099999999999,
"spacegroup": 221
},
{
"id": "jvasp-111252",
"created_at": "2022-09-04T14:38:51.502539Z",
"updated_at": "2022-09-04T14:38:51.502561Z",
"structure_string": "Ca3 Sn1\n1.0\n4.959137 -0.000000 0.000000\n0.000000 4.959137 0.000000\n-0.000000 -0.000000 4.959137\nCa Sn\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn",
"density": 3.2533209403537398,
"density_atomic": 0.032797570388101556,
"volume": 121.96025353911999,
"volume_molar": 18.361545348446718,
"formula_full": "Ca3 Sn1",
"formula_reduced": "Ca3Sn",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-118422",
"created_at": "2022-09-04T14:38:51.340756Z",
"updated_at": "2022-09-04T14:38:51.340777Z",
"structure_string": "H3 I1 O1\n1.0\n3.606572 0.000000 0.000000\n0.000000 3.606572 -0.000000\n0.000000 0.000000 3.606572\nH I O\n3 1 1\ndirect\n0.499999 0.000000 0.000000 H\n0.000000 0.000000 0.499999 H\n0.000000 0.499999 0.000000 H\n0.499999 0.499999 0.499999 I\n0.000000 0.000000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"H",
"I",
"O"
],
"chemical_system": "H-I-O",
"density": 5.1653884272247215,
"density_atomic": 0.10658256907778123,
"volume": 46.91198610863966,
"volume_molar": 5.650211673547854,
"formula_full": "H3 I1 O1",
"formula_reduced": "H3IO",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.286415955,
"spacegroup": 221
},
{
"id": "jvasp-116753",
"created_at": "2022-09-04T14:38:51.268844Z",
"updated_at": "2022-09-04T14:38:51.268866Z",
"structure_string": "La4 Mn4 O12\n1.0\n5.208257 -0.000860 1.733234\n-0.577185 5.176169 1.733253\n0.004704 0.005224 8.676477\nLa Mn O\n4 4 12\ndirect\n0.750000 0.750000 0.499998 La\n0.499996 0.500004 -0.000000 La\n0.250000 0.250000 0.499999 La\n0.000003 0.999996 -0.000000 La\n0.374996 0.874997 0.250000 Mn\n0.125002 0.625002 0.750000 Mn\n0.625000 0.125000 0.750000 Mn\n0.875000 0.375000 0.250000 Mn\n0.124998 0.124997 0.250000 O\n0.375000 0.375002 0.750001 O\n0.000021 0.500022 0.000001 O\n0.249999 0.750000 0.500000 O\n0.499979 -0.000022 -0.000001 O\n0.625005 0.125004 0.249986 O\n0.124992 0.624994 0.250011 O\n0.375006 0.875005 0.749990 O\n0.875004 0.875003 0.750000 O\n0.874994 0.374996 0.750015 O\n0.750000 0.250000 0.500000 O\n0.624995 0.624997 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.870363178546254,
"density_atomic": 0.08554002800514506,
"volume": 233.80866789986368,
"volume_molar": 7.040143545005363,
"formula_full": "La4 Mn4 O12",
"formula_reduced": "LaMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.273098548275862,
"spacegroup": 221
},
{
"id": "jvasp-120185",
"created_at": "2022-09-04T14:38:51.134824Z",
"updated_at": "2022-09-04T14:38:51.134842Z",
"structure_string": "Y1 Sn1 F3\n1.0\n4.654992 -0.000000 0.000000\n0.000000 4.654992 0.000000\n-0.000000 -0.000000 4.654992\nY Sn F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Sn",
"F"
],
"chemical_system": "F-Sn-Y",
"density": 4.356124388655928,
"density_atomic": 0.04956934582642928,
"volume": 100.86879131929376,
"volume_molar": 12.148921192317061,
"formula_full": "Y1 Sn1 F3",
"formula_reduced": "YSnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.3141769719999999,
"spacegroup": 221
},
{
"id": "jvasp-120150",
"created_at": "2022-09-04T14:38:51.049862Z",
"updated_at": "2022-09-04T14:38:51.049884Z",
"structure_string": "Na1 Hf1 F3\n1.0\n4.267144 0.000000 0.000000\n-0.000000 4.267144 0.000000\n0.000000 -0.000000 4.267144\nNa Hf F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.499999 0.499999 Hf\n0.000000 0.499999 0.499999 F\n0.499999 0.000000 0.499999 F\n0.499999 0.499999 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Na",
"Hf",
"F"
],
"chemical_system": "F-Hf-Na",
"density": 5.5240259395703974,
"density_atomic": 0.06435141599706777,
"volume": 77.69836797729252,
"volume_molar": 9.35821017563064,
"formula_full": "Na1 Hf1 F3",
"formula_reduced": "NaHfF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.4654604376666664,
"spacegroup": 221
}
]
}