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=671",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=669",
"results": [
{
"id": "jvasp-19270",
"created_at": "2022-09-04T14:36:35.055649Z",
"updated_at": "2022-09-04T14:36:35.055670Z",
"structure_string": "Mg4 Nb4 Co2 O16\n1.0\n-5.161311 0.000146 -0.020459\n-0.000322 -5.982241 -0.002007\n0.121360 2.987799 9.464683\nMg Nb Co O\n4 4 2 16\ndirect\n0.753635 0.588176 0.457932 Mg\n0.747703 0.129803 0.541146 Mg\n0.247710 0.411432 0.541157 Mg\n0.253644 0.869813 0.457955 Mg\n0.748126 0.716824 0.771543 Nb\n0.753226 0.944799 0.227548 Nb\n0.253214 0.282803 0.227548 Nb\n0.248107 0.054829 0.771551 Nb\n0.250675 0.639203 0.999548 Co\n0.750652 0.360433 0.999542 Co\n0.888111 0.453009 0.618817 O\n0.613226 0.833716 0.380271 O\n0.113231 0.546609 0.380278 O\n0.388112 0.165895 0.618823 O\n0.043962 0.084094 0.373803 O\n0.457373 0.709865 0.625289 O\n0.081998 0.321347 0.884501 O\n0.910459 0.183102 0.135944 O\n0.919331 0.678287 0.114590 O\n0.582009 0.563280 0.884502 O\n0.590866 0.046722 0.863153 O\n0.957372 0.915525 0.625297 O\n0.410468 0.952911 0.135942 O\n0.090877 0.816535 0.863157 O\n0.419314 0.436358 0.114589 O\n0.543961 0.289756 0.373807 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mg",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Mg-Nb-O",
"density": 4.7891817623551205,
"density_atomic": 0.088983889745176,
"volume": 292.1877215578735,
"volume_molar": 6.767675336789233,
"formula_full": "Mg4 Nb4 Co2 O16",
"formula_reduced": "Mg2Nb2CoO8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.8157173692307693,
"spacegroup": 15
},
{
"id": "jvasp-117249",
"created_at": "2022-09-04T14:38:49.346524Z",
"updated_at": "2022-09-04T14:38:49.346547Z",
"structure_string": "Ti4 V4 O16\n1.0\n3.777789 0.007622 -0.000556\n-0.038546 18.907588 0.003602\n0.000564 -0.000728 3.776186\nTi V O\n4 4 16\ndirect\n-0.000062 0.374967 0.499999 Ti\n0.500001 0.624965 0.000003 Ti\n0.000057 0.874968 0.499999 Ti\n0.500106 0.124967 -0.000001 Ti\n0.999955 0.500021 -0.000003 V\n0.500003 0.750020 0.500002 V\n0.000046 0.000023 0.999997 V\n0.499853 0.250020 0.499997 V\n0.499926 0.353139 0.500002 O\n0.000080 0.103138 0.000001 O\n-0.000075 0.396860 -0.000001 O\n0.500064 0.146863 0.500000 O\n0.000052 0.896862 -0.000003 O\n0.500020 0.646862 0.500002 O\n0.500072 0.018325 0.999998 O\n0.499895 0.231689 1.000000 O\n0.499967 0.518323 -0.000000 O\n-0.000092 0.268324 0.500001 O\n-0.000000 0.603137 0.000003 O\n0.000086 0.981689 0.499998 O\n0.500004 0.731689 0.000001 O\n-0.000042 0.481687 0.500000 O\n0.000013 0.768325 0.500001 O\n0.500049 0.853137 0.499999 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ti",
"V",
"O"
],
"chemical_system": "O-Ti-V",
"density": 4.009135586469747,
"density_atomic": 0.08897791484221836,
"volume": 269.7298542290907,
"volume_molar": 6.768129788924438,
"formula_full": "Ti4 V4 O16",
"formula_reduced": "TiVO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.8198910888888893,
"spacegroup": 119
},
{
"id": "jvasp-1735",
"created_at": "2022-09-04T14:35:42.447369Z",
"updated_at": "2022-09-04T14:35:42.447397Z",
"structure_string": "Lu1 B2\n1.0\n1.617389 -2.801401 0.000000\n1.617389 2.801401 0.000000\n0.000000 0.000000 3.720678\nLu B\n1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.666667 0.333333 0.500000 B\n0.333333 0.666667 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Lu",
"B"
],
"chemical_system": "B-Lu",
"density": 9.682030904226393,
"density_atomic": 0.08897733795085826,
"volume": 33.716450380397816,
"volume_molar": 6.7681736706103734,
"formula_full": "Lu1 B2",
"formula_reduced": "LuB2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8005669722222226,
"spacegroup": 191
},
{
"id": "jvasp-27048",
"created_at": "2022-09-04T14:36:38.273201Z",
"updated_at": "2022-09-04T14:36:38.273236Z",
"structure_string": "Sr1 Fe1 O3\n1.0\n3.830283 0.000000 0.000000\n-0.000000 3.830283 0.000000\n0.000000 -0.000000 3.830283\nSr Fe O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sr",
"density": 5.657724837410089,
"density_atomic": 0.08897692967631923,
"volume": 56.194341816345286,
"volume_molar": 6.768204726671708,
"formula_full": "Sr1 Fe1 O3",
"formula_reduced": "SrFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7012104619999997,
"spacegroup": 221
},
{
"id": "jvasp-93230",
"created_at": "2022-09-04T14:35:52.119379Z",
"updated_at": "2022-09-04T14:35:52.119412Z",
"structure_string": "Sr1 Fe1 O3\n1.0\n3.830290 -0.000000 -0.000000\n0.000000 3.830290 -0.000000\n0.000000 0.000000 3.830290\nSr Fe O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Fe",
"O"
],
"chemical_system": "Fe-O-Sr",
"density": 5.657693818347706,
"density_atomic": 0.08897644185108709,
"volume": 56.1946499093334,
"volume_molar": 6.768241834258538,
"formula_full": "Sr1 Fe1 O3",
"formula_reduced": "SrFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7012084619999996,
"spacegroup": 221
},
{
"id": "jvasp-38573",
"created_at": "2022-09-04T14:38:06.048571Z",
"updated_at": "2022-09-04T14:38:06.048591Z",
"structure_string": "Na1 F3\n1.0\n-1.635338 1.635338 4.202579\n1.635338 -1.635338 4.202579\n1.635338 1.635338 -4.202579\nNa F\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750003 0.250001 0.500002 F\n0.250001 0.750003 0.500002 F\n0.499999 0.499999 0.000000 F\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"F"
],
"chemical_system": "F-Na",
"density": 2.9543816527959,
"density_atomic": 0.08897521723292247,
"volume": 44.9563386794399,
"volume_molar": 6.76833498954549,
"formula_full": "Na1 F3",
"formula_reduced": "NaF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.2682201412499999,
"spacegroup": 139
},
{
"id": "jvasp-122525",
"created_at": "2022-09-04T14:38:53.502879Z",
"updated_at": "2022-09-04T14:38:53.502899Z",
"structure_string": "Ti2 V2 O8\n1.0\n3.776942 0.000030 0.013331\n-0.000087 9.454778 -0.000084\n-0.013504 0.000032 3.776982\nTi V O\n2 2 8\ndirect\n0.000001 0.750002 0.500000 Ti\n0.500001 0.250004 -0.000000 Ti\n0.499998 0.499996 0.500000 V\n0.999998 0.000000 0.000001 V\n-0.000001 0.963348 0.500001 O\n0.499999 0.463338 0.000000 O\n-0.000000 0.536660 0.500000 O\n0.500000 0.036650 0.000000 O\n0.500000 0.293737 0.499999 O\n-0.000000 0.793740 0.000001 O\n0.000000 0.206260 -0.000001 O\n0.500000 0.706263 0.500000 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ti",
"V",
"O"
],
"chemical_system": "O-Ti-V",
"density": 4.008738422812374,
"density_atomic": 0.08896910027525697,
"volume": 134.87828878648668,
"volume_molar": 6.7688003378346036,
"formula_full": "Ti2 V2 O8",
"formula_reduced": "TiVO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.8199260888888897,
"spacegroup": 119
},
{
"id": "jvasp-48871",
"created_at": "2022-09-04T14:36:04.700344Z",
"updated_at": "2022-09-04T14:36:04.700370Z",
"structure_string": "Fe4 O3 F5\n1.0\n4.794387 -0.237747 0.000000\n-0.237747 4.794387 0.000000\n0.000000 0.000000 5.882464\nFe O F\n4 3 5\ndirect\n0.989701 0.989701 0.000000 Fe\n0.027556 0.027556 0.500000 Fe\n0.490972 0.490972 0.232450 Fe\n0.490972 0.490972 0.767549 Fe\n0.287813 0.287813 0.000000 O\n0.321184 0.321184 0.500000 O\n0.695382 0.695382 0.000000 O\n0.198111 0.797573 0.251569 F\n0.198111 0.797573 0.748430 F\n0.705046 0.705046 0.500000 F\n0.797573 0.198111 0.748430 F\n0.797573 0.198111 0.251569 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.510379289594251,
"density_atomic": 0.08896620233663985,
"volume": 134.8826822414327,
"volume_molar": 6.769020821202167,
"formula_full": "Fe4 O3 F5",
"formula_reduced": "Fe4O3F5",
"formula_anonymous": "A3B4C5",
"energy_above_hull": 1.906988659375,
"spacegroup": 38
},
{
"id": "jvasp-48590",
"created_at": "2022-09-04T14:37:02.490541Z",
"updated_at": "2022-09-04T14:37:02.490558Z",
"structure_string": "Li1 Mn1 F6\n1.0\n4.862321 0.000006 0.000000\n-2.431162 1.403628 4.391973\n2.431166 -4.210891 -0.000000\nLi Mn F\n1 1 6\ndirect\n0.500001 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Mn\n0.231643 0.765270 0.633387 F\n0.366612 0.234729 0.099759 F\n0.099761 0.234729 0.768358 F\n0.900241 0.765270 0.231640 F\n0.633389 0.765270 0.900239 F\n0.768359 0.234729 0.366611 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.2475955717880383,
"density_atomic": 0.08896360836979862,
"volume": 89.92441006603596,
"volume_molar": 6.769218189720369,
"formula_full": "Li1 Mn1 F6",
"formula_reduced": "LiMnF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2921998670474137,
"spacegroup": 148
},
{
"id": "jvasp-103698",
"created_at": "2022-09-04T14:36:54.109630Z",
"updated_at": "2022-09-04T14:36:54.109652Z",
"structure_string": "Mn1 Co2 Si1\n1.0\n2.840814 -0.000000 0.000000\n0.000000 2.840814 0.000000\n-0.000000 -0.000000 5.571982\nMn Co Si\n1 2 1\ndirect\n0.499999 0.499999 -0.000000 Mn\n0.000000 0.000000 0.735696 Co\n0.000000 0.000000 0.264303 Co\n0.499999 0.499999 0.500000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Co",
"Si"
],
"chemical_system": "Co-Mn-Si",
"density": 7.418429465614658,
"density_atomic": 0.08895383728508192,
"volume": 44.967143881389624,
"volume_molar": 6.769961750722527,
"formula_full": "Mn1 Co2 Si1",
"formula_reduced": "MnCo2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.4187519103448274,
"spacegroup": 123
},
{
"id": "jvasp-20615",
"created_at": "2022-09-04T14:38:14.491855Z",
"updated_at": "2022-09-04T14:38:14.491887Z",
"structure_string": "B2 Pt2\n1.0\n1.905959 -3.301217 0.000000\n1.905959 3.301217 -0.000000\n0.000000 0.000000 3.573396\nB Pt\n2 2\ndirect\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500001 B\n0.333333 0.666667 0.250000 Pt\n0.666667 0.333333 0.750001 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Pt"
],
"chemical_system": "B-Pt",
"density": 15.206389968724203,
"density_atomic": 0.0889531274433624,
"volume": 44.967502717055694,
"volume_molar": 6.770015774694797,
"formula_full": "B2 Pt2",
"formula_reduced": "BPt",
"formula_anonymous": "AB",
"energy_above_hull": 2.415946991666667,
"spacegroup": 194
},
{
"id": "jvasp-116849",
"created_at": "2022-09-04T14:38:44.046611Z",
"updated_at": "2022-09-04T14:38:44.046638Z",
"structure_string": "Li2 V4 F14\n1.0\n8.888676 0.013806 0.295887\n7.586146 4.632402 0.295887\n-0.087722 -0.024739 5.471252\nLi V F\n2 4 14\ndirect\n0.500000 0.000000 0.000000 Li\n0.000001 0.500000 0.500000 Li\n0.149975 0.639883 0.800127 V\n0.639883 0.149975 0.300127 V\n0.360118 0.850025 0.699873 V\n0.850026 0.360118 0.199873 V\n0.644670 0.501067 0.896638 F\n0.501068 0.644669 0.396638 F\n0.209510 0.069826 0.006431 F\n0.069826 0.209510 0.506431 F\n0.617617 0.795975 0.688813 F\n0.795975 0.617616 0.188813 F\n0.930175 0.790490 0.493569 F\n0.382384 0.204026 0.311187 F\n0.107104 0.892897 0.750000 F\n0.790491 0.930175 0.993569 F\n0.498933 0.355331 0.603363 F\n0.355331 0.498933 0.103363 F\n0.204026 0.382384 0.811187 F\n0.892897 0.107104 0.250000 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.57177761842231,
"density_atomic": 0.08895205545969437,
"volume": 224.84022315889402,
"volume_molar": 6.770097361863358,
"formula_full": "Li2 V4 F14",
"formula_reduced": "LiV2F7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.69831103775,
"spacegroup": 15
}
]
}