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=1273",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1271",
"results": [
{
"id": "jvasp-79631",
"created_at": "2022-09-04T14:37:17.357087Z",
"updated_at": "2022-09-04T14:37:17.357112Z",
"structure_string": "Cd1 Pt3\n1.0\n0.000000 0.000000 2.862771\n3.949581 2.913486 0.000000\n-3.949581 2.913486 0.000000\nCd Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500001 0.500001 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Pt"
],
"chemical_system": "Cd-Pt",
"density": 17.583860241145892,
"density_atomic": 0.06071268306499974,
"volume": 65.8840920556509,
"volume_molar": 9.919081905098187,
"formula_full": "Cd1 Pt3",
"formula_reduced": "CdPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.7155817666666673,
"spacegroup": 65
},
{
"id": "jvasp-43512",
"created_at": "2022-09-04T14:37:17.621241Z",
"updated_at": "2022-09-04T14:37:17.621261Z",
"structure_string": "Li2 V2 F8\n1.0\n0.000000 3.089164 -0.003335\n6.605259 0.000000 0.000000\n0.000000 -0.007368 -6.432537\nLi V F\n2 2 8\ndirect\n-0.000145 0.500000 0.754232 Li\n0.000148 0.000000 0.254261 Li\n0.499871 0.500000 0.254255 V\n0.500126 0.000000 0.754214 V\n0.000117 0.808476 0.754200 F\n0.000117 0.191524 0.754200 F\n0.500084 0.000000 0.459472 F\n0.499942 0.500000 0.548993 F\n0.500141 0.000000 0.048952 F\n0.499829 0.500000 0.959513 F\n-0.000118 0.308475 0.254259 F\n-0.000118 0.691525 0.254259 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"V",
"F"
],
"chemical_system": "F-Li-V",
"density": 3.3874160453908035,
"density_atomic": 0.09142555375304681,
"volume": 131.25433215765557,
"volume_molar": 6.586933863443303,
"formula_full": "Li2 V2 F8",
"formula_reduced": "LiVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3166842216666665,
"spacegroup": 65
},
{
"id": "jvasp-78935",
"created_at": "2022-09-04T14:37:18.085985Z",
"updated_at": "2022-09-04T14:37:18.086005Z",
"structure_string": "V2 Ir2\n1.0\n2.814584 0.000000 0.000000\n0.000000 4.411367 -0.669555\n0.000000 0.012894 4.461872\nV Ir\n2 2\ndirect\n0.000000 0.703405 0.703406 V\n0.000000 0.296594 0.296595 V\n0.499999 0.784179 0.215822 Ir\n0.499999 0.215820 0.784179 Ir\n",
"nsites": 4,
"nelements": 2,
"elements": [
"V",
"Ir"
],
"chemical_system": "Ir-V",
"density": 14.570470989260869,
"density_atomic": 0.07217138390568155,
"volume": 55.42362891679437,
"volume_molar": 8.34422236917355,
"formula_full": "V2 Ir2",
"formula_reduced": "VIr",
"formula_anonymous": "AB",
"energy_above_hull": 2.71538265,
"spacegroup": 65
},
{
"id": "jvasp-31622",
"created_at": "2022-09-04T14:37:17.635461Z",
"updated_at": "2022-09-04T14:37:17.635477Z",
"structure_string": "Nb7 B6 C3\n1.0\n3.136762 0.000000 -0.296460\n0.000000 3.279713 0.000000\n0.004996 0.000000 16.795676\nNb B C\n7 6 3\ndirect\n0.709554 0.000000 0.419108 Nb\n0.290446 0.000000 0.580892 Nb\n0.567042 0.499999 0.134084 Nb\n0.432959 0.499999 0.865917 Nb\n0.130653 0.000000 0.261306 Nb\n0.869347 0.000000 0.738694 Nb\n0.000000 0.000000 0.000000 Nb\n0.652987 0.499999 0.305974 B\n0.347013 0.499999 0.694026 B\n0.763402 0.499999 0.526804 B\n0.236599 0.499999 0.473197 B\n0.181800 0.499999 0.363599 B\n0.818201 0.499999 0.636401 B\n0.066294 0.000000 0.132589 C\n0.500000 0.499999 0.000000 C\n0.933706 0.000000 0.867412 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nb",
"B",
"C"
],
"chemical_system": "B-C-Nb",
"density": 7.219419700513212,
"density_atomic": 0.092596138498894,
"volume": 172.7933827412372,
"volume_molar": 6.503662957901782,
"formula_full": "Nb7 B6 C3",
"formula_reduced": "Nb7(B2C)3",
"formula_anonymous": "A3B6C7",
"energy_above_hull": 6.46517070625,
"spacegroup": 65
},
{
"id": "jvasp-22536",
"created_at": "2022-09-04T14:37:17.637293Z",
"updated_at": "2022-09-04T14:37:17.637319Z",
"structure_string": "K1 Sc2 F7\n1.0\n4.060367 0.000000 0.000000\n0.000000 5.581703 -2.813795\n0.000000 0.011604 6.250818\nK Sc F\n1 2 7\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.693125 0.306875 Sc\n0.500000 0.306874 0.693125 Sc\n0.000000 0.702779 0.297221 F\n0.000000 0.297220 0.702779 F\n0.500000 0.045176 0.333118 F\n0.500000 0.954823 0.666883 F\n0.500000 0.333117 0.045176 F\n0.500000 0.666881 0.954824 F\n0.500000 0.499999 0.500000 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Sc",
"F"
],
"chemical_system": "F-K-Sc",
"density": 3.068128460111949,
"density_atomic": 0.0705220449044575,
"volume": 141.79963178248576,
"volume_molar": 8.53937342310299,
"formula_full": "K1 Sc2 F7",
"formula_reduced": "KSc2F7",
"formula_anonymous": "AB2C7",
"energy_above_hull": 0.25276160975,
"spacegroup": 65
},
{
"id": "jvasp-79600",
"created_at": "2022-09-04T14:37:17.662805Z",
"updated_at": "2022-09-04T14:37:17.662831Z",
"structure_string": "Hg1 Pt3\n1.0\n0.000000 0.000000 2.880724\n3.956633 2.954224 0.000000\n-3.956633 2.954224 0.000000\nHg Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Hg\n0.000000 0.499999 0.499999 Pt\n0.499999 0.499999 -0.000000 Pt\n0.499999 -0.000000 0.499999 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Hg",
"Pt"
],
"chemical_system": "Hg-Pt",
"density": 19.376864236817706,
"density_atomic": 0.05939626742365607,
"volume": 67.34429912016489,
"volume_molar": 10.138921217129427,
"formula_full": "Hg1 Pt3",
"formula_reduced": "HgPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.8372172125,
"spacegroup": 65
},
{
"id": "jvasp-78706",
"created_at": "2022-09-04T14:37:18.201842Z",
"updated_at": "2022-09-04T14:37:18.201865Z",
"structure_string": "Ca1 Ge2\n1.0\n6.434562 0.214784 17.151425\n0.063589 0.870314 4.139241\n-4.347885 -2.164631 -8.125790\nCa Ge\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.677888 0.788765 0.000002 Ge\n0.322113 0.211233 0.000001 Ge\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge",
"density": 4.339151965643749,
"density_atomic": 0.042292726386507704,
"volume": 70.93418316387059,
"volume_molar": 14.23918785694836,
"formula_full": "Ca1 Ge2",
"formula_reduced": "CaGe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3673853166666666,
"spacegroup": 65
},
{
"id": "jvasp-13834",
"created_at": "2022-09-04T14:37:19.381320Z",
"updated_at": "2022-09-04T14:37:19.381343Z",
"structure_string": "Ba2 Y1 Cu4 O8\n1.0\n3.946570 0.000000 0.000000\n0.000000 3.718767 -0.532730\n0.000000 0.194320 14.602415\nBa Y Cu O\n2 1 4 8\ndirect\n0.500000 0.358683 0.717366 Ba\n0.500000 0.641317 0.282635 Ba\n0.500000 0.000000 0.000000 Y\n0.000000 0.925495 0.850988 Cu\n0.000000 0.074506 0.149012 Cu\n0.000000 0.786541 0.573081 Cu\n0.000000 0.213460 0.426920 Cu\n0.000000 0.851136 0.702271 O\n0.000000 0.148865 0.297729 O\n0.000000 0.455701 0.911402 O\n0.000000 0.544300 0.088599 O\n0.500000 0.925189 0.850377 O\n0.500000 0.074812 0.149623 O\n0.000000 0.279599 0.559198 O\n0.000000 0.720402 0.440803 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-O-Y",
"density": 5.767205026283612,
"density_atomic": 0.06985872700121112,
"volume": 214.71905721585722,
"volume_molar": 8.62045590938924,
"formula_full": "Ba2 Y1 Cu4 O8",
"formula_reduced": "Ba2Y(CuO2)4",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 1.5515358126666667,
"spacegroup": 65
},
{
"id": "jvasp-14102",
"created_at": "2022-09-04T14:37:19.880092Z",
"updated_at": "2022-09-04T14:37:19.880113Z",
"structure_string": "Ti2 Si2\n1.0\n-3.642767 0.000000 0.000000\n-1.821383 -3.830066 -2.120275\n-1.821383 -3.830066 2.120275\nTi Si\n2 2\ndirect\n0.499999 0.449262 0.550739 Ti\n-0.000001 0.949274 0.050727 Ti\n0.750000 0.699232 0.800767 Si\n0.249998 0.199234 0.300769 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 4.2634514982003555,
"density_atomic": 0.06760832113351949,
"volume": 59.16431487923522,
"volume_molar": 8.907395804292923,
"formula_full": "Ti2 Si2",
"formula_reduced": "TiSi",
"formula_anonymous": "AB",
"energy_above_hull": 2.088028466666666,
"spacegroup": 65
},
{
"id": "jvasp-11817",
"created_at": "2022-09-04T14:37:27.119722Z",
"updated_at": "2022-09-04T14:37:27.119746Z",
"structure_string": "Co1 Pt3 O6\n1.0\n3.218086 0.000000 0.000000\n0.000000 5.787904 -2.014004\n0.000000 -0.015142 6.128280\nCo Pt O\n1 3 6\ndirect\n0.000000 0.500000 0.500001 Co\n0.000000 0.000000 0.000000 Pt\n0.500002 0.500000 0.000000 Pt\n0.500002 0.000000 0.499999 Pt\n0.000000 0.911577 0.658322 O\n0.000000 0.088423 0.341680 O\n0.000000 0.658320 0.911578 O\n0.000000 0.341680 0.088424 O\n0.500002 0.355011 0.644988 O\n0.500002 0.644987 0.355012 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Co",
"Pt",
"O"
],
"chemical_system": "Co-O-Pt",
"density": 10.777136151371526,
"density_atomic": 0.08768311905360543,
"volume": 114.04703787836813,
"volume_molar": 6.868073153645846,
"formula_full": "Co1 Pt3 O6",
"formula_reduced": "Co(PtO2)3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 3.00106961,
"spacegroup": 65
},
{
"id": "jvasp-9660",
"created_at": "2022-09-04T14:37:27.567664Z",
"updated_at": "2022-09-04T14:37:27.567685Z",
"structure_string": "Mo4 O10\n1.0\n0.000000 3.800100 -0.000071\n3.739131 0.000000 0.000000\n0.000000 -0.000177 -13.044324\nMo O\n4 10\ndirect\n0.999941 0.750000 0.107020 Mo\n0.000058 0.250000 0.892980 Mo\n0.000061 0.250000 0.607019 Mo\n0.999938 0.750000 0.392980 Mo\n-0.000012 0.250000 0.060256 O\n0.000012 0.750000 0.939744 O\n0.000012 0.750000 0.560256 O\n-0.000013 0.250000 0.439743 O\n0.499965 0.750000 0.394582 O\n0.500034 0.250000 0.605418 O\n0.500032 0.250000 0.894582 O\n0.000037 0.250000 0.750000 O\n-0.000038 0.750000 0.250000 O\n0.499967 0.750000 0.105418 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 4.871517629215898,
"density_atomic": 0.07553369877432992,
"volume": 185.3477352119011,
"volume_molar": 7.972786792809122,
"formula_full": "Mo4 O10",
"formula_reduced": "Mo2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.6144199,
"spacegroup": 65
},
{
"id": "jvasp-16528",
"created_at": "2022-09-04T14:37:27.590705Z",
"updated_at": "2022-09-04T14:37:27.590725Z",
"structure_string": "Sc2 Ga4\n1.0\n3.913187 0.000000 -1.204826\n0.000000 4.141870 0.000000\n-0.088391 0.000000 6.670193\nSc Ga\n2 4\ndirect\n0.347398 0.000000 0.694796 Sc\n0.652603 0.000000 0.305203 Sc\n0.821900 0.500000 0.643798 Ga\n0.178101 0.500000 0.356201 Ga\n0.500000 0.500000 -0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sc",
"Ga"
],
"chemical_system": "Ga-Sc",
"density": 5.687934755885199,
"density_atomic": 0.05572644563274518,
"volume": 107.66880844225896,
"volume_molar": 10.806611998345998,
"formula_full": "Sc2 Ga4",
"formula_reduced": "ScGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3282299666666667,
"spacegroup": 65
}
]
}