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=3518",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=3516",
"results": [
{
"id": "jvasp-93353",
"created_at": "2022-09-04T14:36:18.678501Z",
"updated_at": "2022-09-04T14:36:18.678531Z",
"structure_string": "Mn4 As2\n1.0\n3.577746 0.000000 -0.000000\n-0.000000 3.577746 -0.000000\n0.000000 -0.000000 5.873075\nMn As\n4 2\ndirect\n0.750001 0.250000 0.000000 Mn\n0.250000 0.750001 0.000000 Mn\n0.750001 0.750001 0.311582 Mn\n0.250000 0.250000 0.688417 Mn\n0.750001 0.750001 0.716323 As\n0.250000 0.250000 0.283676 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"As"
],
"chemical_system": "As-Mn",
"density": 8.163775902678157,
"density_atomic": 0.07981172432839462,
"volume": 75.1769248251335,
"volume_molar": 7.545433720014872,
"formula_full": "Mn4 As2",
"formula_reduced": "Mn2As",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2006120775862072,
"spacegroup": 129
},
{
"id": "jvasp-16816",
"created_at": "2022-09-04T14:38:16.576615Z",
"updated_at": "2022-09-04T14:38:16.576653Z",
"structure_string": "Li1 Nd1 Sn1\n1.0\n4.102541 0.000000 2.368603\n1.367513 3.867913 2.368603\n-0.000000 -0.000000 4.737206\nLi Nd Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Nd",
"Sn"
],
"chemical_system": "Li-Nd-Sn",
"density": 5.961956740482206,
"density_atomic": 0.03990886318869575,
"volume": 75.17127175022502,
"volume_molar": 15.089732652935552,
"formula_full": "Li1 Nd1 Sn1",
"formula_reduced": "LiNdSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6352010666666669,
"spacegroup": 216
},
{
"id": "jvasp-37880",
"created_at": "2022-09-04T14:38:15.089298Z",
"updated_at": "2022-09-04T14:38:15.089315Z",
"structure_string": "Be6 Ru2\n1.0\n2.400282 -4.157411 -0.000000\n2.400282 4.157411 0.000000\n-0.000000 -0.000000 3.766335\nBe Ru\n6 2\ndirect\n0.161426 0.322853 0.250000 Be\n0.677146 0.838573 0.250000 Be\n0.161426 0.838573 0.250000 Be\n0.838573 0.677146 0.749999 Be\n0.322853 0.161426 0.749999 Be\n0.838573 0.161426 0.749999 Be\n0.333333 0.666666 0.749999 Ru\n0.666666 0.333333 0.250000 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Be",
"Ru"
],
"chemical_system": "Be-Ru",
"density": 5.65999756260624,
"density_atomic": 0.10642797920740396,
"volume": 75.1682035079311,
"volume_molar": 5.658418777513586,
"formula_full": "Be6 Ru2",
"formula_reduced": "Be3Ru",
"formula_anonymous": "AB3",
"energy_above_hull": 2.4228522000000003,
"spacegroup": 194
},
{
"id": "jvasp-110267",
"created_at": "2022-09-04T14:37:53.170217Z",
"updated_at": "2022-09-04T14:37:53.170258Z",
"structure_string": "Ce1 Sn1 O4\n1.0\n3.573490 -0.006999 5.523105\n1.625713 3.182285 5.523105\n-0.011460 -0.006999 6.578327\nCe Sn O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.499999 0.500000 0.500001 Sn\n0.620058 0.620060 0.620061 O\n0.129919 0.129919 0.129919 O\n0.870080 0.870082 0.870083 O\n0.379940 0.379941 0.379942 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Sn",
"O"
],
"chemical_system": "Ce-O-Sn",
"density": 7.132281688785859,
"density_atomic": 0.07982985931266881,
"volume": 75.15984685003465,
"volume_molar": 7.543719620515855,
"formula_full": "Ce1 Sn1 O4",
"formula_reduced": "CeSnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.8335435333333336,
"spacegroup": 166
},
{
"id": "jvasp-35884",
"created_at": "2022-09-04T14:37:37.298176Z",
"updated_at": "2022-09-04T14:37:37.298191Z",
"structure_string": "Hf2 Ta1 N3\n1.0\n2.677905 -4.638269 -0.000000\n2.677905 4.638269 0.000000\n0.000000 -0.000000 3.025374\nHf Ta N\n2 1 3\ndirect\n0.666668 0.333334 0.499999 Hf\n0.333334 0.666668 0.499999 Hf\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500001 0.000000 N\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Ta",
"N"
],
"chemical_system": "Hf-N-Ta",
"density": 12.813800945738892,
"density_atomic": 0.0798345875702795,
"volume": 75.15539545711458,
"volume_molar": 7.5432728386034755,
"formula_full": "Hf2 Ta1 N3",
"formula_reduced": "Hf2TaN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.924890824999999,
"spacegroup": 191
},
{
"id": "jvasp-115816",
"created_at": "2022-09-04T14:38:39.862116Z",
"updated_at": "2022-09-04T14:38:39.862135Z",
"structure_string": "Ca1 Zn1 O1\n1.0\n4.485865 -0.000000 0.000000\n-2.242933 3.884873 0.000000\n0.000000 -0.000000 4.312302\nCa Zn O\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.000000 Zn\n0.333334 0.666666 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"O"
],
"chemical_system": "Ca-O-Zn",
"density": 2.684383539019439,
"density_atomic": 0.03991986477018468,
"volume": 75.15055517524293,
"volume_molar": 15.08557404858198,
"formula_full": "Ca1 Zn1 O1",
"formula_reduced": "CaZnO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-109278",
"created_at": "2022-09-04T14:38:27.507850Z",
"updated_at": "2022-09-04T14:38:27.507883Z",
"structure_string": "Hf3 Be1\n1.0\n3.823374 0.013047 -3.600100\n-0.704549 3.757921 -3.600100\n-0.010791 -0.013047 5.251552\nHf Be\n3 1\ndirect\n0.749999 0.250000 0.499999 Hf\n0.250000 0.750000 0.499999 Hf\n0.499999 0.500000 -0.000000 Hf\n0.000000 0.000000 0.000000 Be\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hf",
"Be"
],
"chemical_system": "Be-Hf",
"density": 12.032004524241577,
"density_atomic": 0.05323107149536048,
"volume": 75.14408197378917,
"volume_molar": 11.313205973178427,
"formula_full": "Hf3 Be1",
"formula_reduced": "Hf3Be",
"formula_anonymous": "AB3",
"energy_above_hull": 4.580053775,
"spacegroup": 139
},
{
"id": "jvasp-40912",
"created_at": "2022-09-04T14:37:37.077769Z",
"updated_at": "2022-09-04T14:37:37.077806Z",
"structure_string": "Pm2 H2\n1.0\n1.918776 -3.323418 -0.000000\n1.918776 3.323418 -0.000000\n0.000000 0.000000 5.891517\nPm H\n2 2\ndirect\n0.333334 0.666668 0.388203 Pm\n0.666668 0.333334 0.888203 Pm\n0.333334 0.666668 0.986808 H\n0.666668 0.333334 0.486808 H\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"H"
],
"chemical_system": "H-Pm",
"density": 6.453409001292026,
"density_atomic": 0.05323455340998844,
"volume": 75.13916702172384,
"volume_molar": 11.312466009849272,
"formula_full": "Pm2 H2",
"formula_reduced": "PmH",
"formula_anonymous": "AB",
"energy_above_hull": 1.1729855874999997,
"spacegroup": 186
},
{
"id": "jvasp-8581",
"created_at": "2022-09-04T14:37:02.685679Z",
"updated_at": "2022-09-04T14:37:02.685709Z",
"structure_string": "Li3 Bi1\n1.0\n4.101908 0.000000 2.368237\n1.367303 3.867316 2.368237\n0.000000 0.000000 4.736475\nLi Bi\n3 1\ndirect\n0.750000 0.750001 0.750001 Li\n0.500000 0.500001 0.500001 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Bi"
],
"chemical_system": "Bi-Li",
"density": 5.0787252928167295,
"density_atomic": 0.053236459696042814,
"volume": 75.13647644562151,
"volume_molar": 11.312060934148931,
"formula_full": "Li3 Bi1",
"formula_reduced": "Li3Bi",
"formula_anonymous": "AB3",
"energy_above_hull": 0.600636075,
"spacegroup": 225
},
{
"id": "jvasp-41883",
"created_at": "2022-09-04T14:37:34.675956Z",
"updated_at": "2022-09-04T14:37:34.675982Z",
"structure_string": "Sc2 Tc1 Hg1\n1.0\n-0.000000 3.349155 3.349155\n3.349155 0.000000 3.349155\n3.349155 3.349155 0.000000\nSc Tc Hg\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.499998 0.499998 0.499998 Sc\n0.750000 0.750000 0.750000 Tc\n0.250001 0.250001 0.250001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Tc",
"Hg"
],
"chemical_system": "Hg-Sc-Tc",
"density": 8.586307189758458,
"density_atomic": 0.053238309144406616,
"volume": 75.13386627569581,
"volume_molar": 11.311667963881428,
"formula_full": "Sc2 Tc1 Hg1",
"formula_reduced": "Sc2TcHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.17888665,
"spacegroup": 225
},
{
"id": "jvasp-65160",
"created_at": "2022-09-04T14:36:07.808232Z",
"updated_at": "2022-09-04T14:36:07.808252Z",
"structure_string": "Be1 Co4 Se1\n1.0\n-0.000000 3.349047 3.349047\n3.349047 0.000000 3.349047\n3.349047 3.349047 0.000000\nBe Co Se\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123369 0.625544 0.625544 Co\n0.625544 0.625544 0.625544 Co\n0.625544 0.123369 0.625544 Co\n0.625544 0.625544 0.123369 Co\n0.250000 0.250000 0.250000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Co",
"Se"
],
"chemical_system": "Be-Co-Se",
"density": 7.154919160130842,
"density_atomic": 0.07986518969138172,
"volume": 75.12659799826986,
"volume_molar": 7.540382466091922,
"formula_full": "Be1 Co4 Se1",
"formula_reduced": "BeCo4Se",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.100290511111111,
"spacegroup": 216
},
{
"id": "jvasp-109956",
"created_at": "2022-09-04T14:38:48.297136Z",
"updated_at": "2022-09-04T14:38:48.297167Z",
"structure_string": "Ga3 Au1\n1.0\n3.863139 -0.113987 -3.205355\n-0.923654 3.752826 -3.205355\n0.092079 0.113987 5.018931\nGa Au\n3 1\ndirect\n0.750000 0.250000 0.500001 Ga\n0.250001 0.750001 0.500002 Ga\n0.500001 0.500000 0.000001 Ga\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ga",
"Au"
],
"chemical_system": "Au-Ga",
"density": 8.977126957681065,
"density_atomic": 0.053244804252275124,
"volume": 75.12470101397888,
"volume_molar": 11.310288101477388,
"formula_full": "Ga3 Au1",
"formula_reduced": "Ga3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
}
]
}