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&page=112",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=110",
"results": [
{
"id": "jvasp-123410",
"created_at": "2022-09-04T14:38:50.833499Z",
"updated_at": "2022-09-04T14:38:50.833521Z",
"structure_string": "Zr1 Mn1\n1.0\n1.601811 -2.774416 -0.000000\n1.601811 2.774416 -0.000000\n0.000000 -0.000000 3.834700\nZr Mn\n1 1\ndirect\n0.333333 0.666667 0.750000 Zr\n0.666667 0.333333 0.250000 Mn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zr",
"Mn"
],
"chemical_system": "Mn-Zr",
"density": 7.120975096739789,
"density_atomic": 0.05867941214949647,
"volume": 34.0835043627335,
"volume_molar": 10.262783043322761,
"formula_full": "Zr1 Mn1",
"formula_reduced": "ZrMn",
"formula_anonymous": "AB",
"energy_above_hull": 3.032795870689655,
"spacegroup": 187
},
{
"id": "jvasp-20105",
"created_at": "2022-09-04T14:36:37.999650Z",
"updated_at": "2022-09-04T14:36:37.999680Z",
"structure_string": "Sc1 Cu1\n1.0\n3.242516 0.000000 0.000000\n-0.000000 3.242516 0.000000\n0.000000 0.000000 3.242516\nSc Cu\n1 1\ndirect\n0.500001 0.500001 0.500001 Sc\n0.000000 0.000000 0.000000 Cu\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Sc",
"Cu"
],
"chemical_system": "Cu-Sc",
"density": 5.284940539906165,
"density_atomic": 0.05866561291665336,
"volume": 34.09152143081525,
"volume_molar": 10.265197038946301,
"formula_full": "Sc1 Cu1",
"formula_reduced": "ScCu",
"formula_anonymous": "AB",
"energy_above_hull": 0.5620178499999999,
"spacegroup": 221
},
{
"id": "jvasp-14732",
"created_at": "2022-09-04T14:36:51.555983Z",
"updated_at": "2022-09-04T14:36:51.556006Z",
"structure_string": "Ti2\n1.0\n1.460282 -2.529283 0.000000\n1.460282 2.529283 -0.000000\n-0.000000 0.000000 4.625413\nTi\n2\ndirect\n0.333332 0.666666 0.250000 Ti\n0.666666 0.333332 0.750000 Ti\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.652652675920648,
"density_atomic": 0.05853496005905436,
"volume": 34.16761535298313,
"volume_molar": 10.288109454460074,
"formula_full": "Ti2",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy_above_hull": 0.0093900000000006,
"spacegroup": 194
},
{
"id": "jvasp-25181",
"created_at": "2022-09-04T14:38:33.059011Z",
"updated_at": "2022-09-04T14:38:33.059045Z",
"structure_string": "Ti2\n1.0\n2.920565 -0.000000 0.000000\n-1.460282 2.529283 0.000000\n0.000000 0.000000 4.625412\nTi\n2\ndirect\n0.333334 0.666666 0.250000 Ti\n0.666668 0.333333 0.750000 Ti\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.652652088743699,
"density_atomic": 0.058534952671789146,
"volume": 34.16761966502619,
"volume_molar": 10.288110752846586,
"formula_full": "Ti2",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy_above_hull": 0.0093900000000006,
"spacegroup": 194
},
{
"id": "jvasp-99966",
"created_at": "2022-09-04T14:36:41.832316Z",
"updated_at": "2022-09-04T14:36:41.832346Z",
"structure_string": "Li1 Ga1 O2\n1.0\n2.982214 -0.000000 0.000000\n0.000000 2.982214 0.000000\n0.000000 -0.000000 3.844993\nLi Ga O\n1 1 2\ndirect\n0.499999 0.499999 0.000000 Li\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 O\n0.499999 0.499999 0.500000 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ga",
"O"
],
"chemical_system": "Ga-Li-O",
"density": 5.276632235514445,
"density_atomic": 0.11697332324218694,
"volume": 34.195831059003226,
"volume_molar": 5.148302701062432,
"formula_full": "Li1 Ga1 O2",
"formula_reduced": "LiGaO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7683923312500001,
"spacegroup": 123
},
{
"id": "jvasp-120269",
"created_at": "2022-09-04T14:38:53.345290Z",
"updated_at": "2022-09-04T14:38:53.345319Z",
"structure_string": "Ir1 O2\n1.0\n3.310275 0.000000 0.000000\n0.000000 2.718944 0.000000\n0.000000 0.000000 3.799391\nIr O\n1 2\ndirect\n0.800002 0.000000 0.000000 Ir\n-0.700002 0.000000 0.290582 O\n-0.700002 0.000000 0.709419 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ir",
"O"
],
"chemical_system": "Ir-O",
"density": 10.887721012674591,
"density_atomic": 0.08772894932015694,
"volume": 34.196237652999095,
"volume_molar": 6.86448522029242,
"formula_full": "Ir1 O2",
"formula_reduced": "IrO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.831779366666667,
"spacegroup": 47
},
{
"id": "jvasp-36144",
"created_at": "2022-09-04T14:37:18.388177Z",
"updated_at": "2022-09-04T14:37:18.388193Z",
"structure_string": "Ga1 B1 N2\n1.0\n2.834168 0.000000 -0.000000\n-0.000000 2.834168 -0.000000\n0.000000 0.000000 4.257583\nGa B N\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 B\n0.500000 0.000000 0.198290 N\n0.000000 0.500000 0.801710 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"B",
"N"
],
"chemical_system": "B-Ga-N",
"density": 5.270529146267954,
"density_atomic": 0.11696224288919632,
"volume": 34.19907058202862,
"volume_molar": 5.148790422653787,
"formula_full": "Ga1 B1 N2",
"formula_reduced": "GaBN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.428527852083333,
"spacegroup": 115
},
{
"id": "jvasp-116126",
"created_at": "2022-09-04T14:38:40.452914Z",
"updated_at": "2022-09-04T14:38:40.452936Z",
"structure_string": "Li1 H1 O1\n1.0\n3.203397 -0.493895 0.000000\n-1.930770 3.140448 0.000000\n0.000000 0.000000 3.755788\nLi H O\n1 1 1\ndirect\n0.047678 0.358159 0.000000 Li\n0.172061 -0.053742 0.000000 H\n0.780261 0.695582 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"H",
"O"
],
"chemical_system": "H-Li-O",
"density": 1.1627109366938464,
"density_atomic": 0.08771391578349318,
"volume": 34.20209864310456,
"volume_molar": 6.86566174387269,
"formula_full": "Li1 H1 O1",
"formula_reduced": "LiHO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2035878333333334,
"spacegroup": 6
},
{
"id": "jvasp-33027",
"created_at": "2022-09-04T14:37:29.818243Z",
"updated_at": "2022-09-04T14:37:29.818271Z",
"structure_string": "H2 F2\n1.0\n1.468646 2.207792 0.000000\n-1.468646 2.207792 0.000000\n0.000000 0.000000 5.274237\nH F\n2 2\ndirect\n0.427757 0.427757 0.580982 H\n0.572242 0.572242 0.080982 H\n0.645532 0.645532 0.581018 F\n0.354468 0.354468 0.081018 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"F"
],
"chemical_system": "F-H",
"density": 1.9425933107251943,
"density_atomic": 0.11694861218480261,
"volume": 34.20305658419602,
"volume_molar": 5.149390529306831,
"formula_full": "H2 F2",
"formula_reduced": "HF",
"formula_anonymous": "AB",
"energy_above_hull": 0.06092514125,
"spacegroup": 63
},
{
"id": "jvasp-36647",
"created_at": "2022-09-04T14:37:27.543902Z",
"updated_at": "2022-09-04T14:37:27.543922Z",
"structure_string": "Mg1 Ni1 H2\n1.0\n3.271010 -0.000000 0.000000\n-0.000000 3.271010 -0.000000\n0.000000 -0.000000 3.197257\nMg Ni H\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500001 Ni\n0.000000 0.500000 0.500001 H\n0.500000 0.000000 0.500001 H\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"H"
],
"chemical_system": "H-Mg-Ni",
"density": 4.126669498418227,
"density_atomic": 0.11692804831405393,
"volume": 34.20907179820967,
"volume_molar": 5.150296140944124,
"formula_full": "Mg1 Ni1 H2",
"formula_reduced": "MgNiH2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2801678625,
"spacegroup": 123
},
{
"id": "jvasp-8025",
"created_at": "2022-09-04T14:37:02.910513Z",
"updated_at": "2022-09-04T14:37:02.910551Z",
"structure_string": "Ti1 F2\n1.0\n3.155687 0.000000 1.821936\n1.051896 2.975210 1.821936\n0.000000 0.000000 3.643874\nTi F\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750002 0.750000 0.750000 F\n0.250001 0.250000 0.250000 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"F"
],
"chemical_system": "F-Ti",
"density": 4.167583764784,
"density_atomic": 0.08768925041259261,
"volume": 34.211719063448456,
"volume_molar": 6.8675929280554,
"formula_full": "Ti1 F2",
"formula_reduced": "TiF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0903687037037035,
"spacegroup": 225
},
{
"id": "jvasp-18386",
"created_at": "2022-09-04T14:38:03.917133Z",
"updated_at": "2022-09-04T14:38:03.917157Z",
"structure_string": "Ho1 H2\n1.0\n3.156001 0.000000 1.822118\n1.052000 2.975506 1.822118\n0.000000 0.000000 3.644236\nHo H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ho\n0.749999 0.750001 0.750001 H\n0.250000 0.250000 0.250000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ho",
"H"
],
"chemical_system": "H-Ho",
"density": 8.100674450351798,
"density_atomic": 0.08766309471161247,
"volume": 34.22192668270698,
"volume_molar": 6.869641985388711,
"formula_full": "Ho1 H2",
"formula_reduced": "HoH2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.6880651888888891,
"spacegroup": 225
}
]
}