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=updated_at&page=892",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=890",
"results": [
{
"id": "jvasp-67226",
"created_at": "2022-09-04T14:36:10.222329Z",
"updated_at": "2022-09-04T14:36:10.222358Z",
"structure_string": "Ca1 Be2 Ga1\n1.0\n3.020391 0.000000 0.000000\n0.000000 3.020391 -0.000000\n0.000000 -0.000000 6.817863\nCa Be Ga\n1 2 1\ndirect\n0.000000 0.000000 0.481036 Ca\n0.000000 0.000000 0.037623 Be\n0.500000 0.500000 0.168140 Be\n0.500000 0.500000 0.813200 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Ga"
],
"chemical_system": "Be-Ca-Ga",
"density": 3.4126482784196646,
"density_atomic": 0.06431101828622067,
"volume": 62.19774008549704,
"volume_molar": 9.36408864371894,
"formula_full": "Ca1 Be2 Ga1",
"formula_reduced": "CaBe2Ga",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.73773623625,
"spacegroup": 99
},
{
"id": "jvasp-42812",
"created_at": "2022-09-04T14:36:10.222611Z",
"updated_at": "2022-09-04T14:36:10.222636Z",
"structure_string": "Li6 V2 O6 F4\n1.0\n5.297428 -0.091535 0.080437\n-2.206725 4.816792 -0.080437\n-1.024225 0.669926 7.863803\nLi V O F\n6 2 6 4\ndirect\n0.246530 0.428312 0.565387 Li\n0.427200 0.205370 0.928971 Li\n0.571689 0.753471 0.065388 Li\n0.794632 0.572800 0.428972 Li\n0.622028 0.029085 0.369662 Li\n0.970917 0.377973 0.869662 Li\n0.171083 0.175110 0.245767 V\n0.824891 0.828918 0.745766 V\n0.861439 0.876936 0.253790 O\n0.741955 0.579929 0.912836 O\n0.420073 0.258046 0.412836 O\n0.123064 0.138563 0.753790 O\n0.224115 0.404899 0.071173 O\n0.595102 0.775886 0.571172 O\n0.641777 0.018281 0.867103 F\n0.006230 0.621050 0.652031 F\n0.378952 0.993770 0.152031 F\n0.981721 0.358224 0.367103 F\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.6245793686541283,
"density_atomic": 0.09016906862837552,
"volume": 199.62499639633114,
"volume_molar": 6.678721263962215,
"formula_full": "Li6 V2 O6 F4",
"formula_reduced": "Li3VO3F2",
"formula_anonymous": "AB2C3D3",
"energy_above_hull": 1.4577305850000002,
"spacegroup": 9
},
{
"id": "jvasp-70082",
"created_at": "2022-09-04T14:36:10.225949Z",
"updated_at": "2022-09-04T14:36:10.225964Z",
"structure_string": "K1 Y1 Be2\n1.0\n-2.389940 2.389940 3.381258\n2.389940 -2.389940 3.381258\n2.389940 2.389940 -3.381258\nK Y Be\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.750000 0.250000 0.500000 Y\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Y",
"Be"
],
"chemical_system": "Be-K-Y",
"density": 3.138878215274707,
"density_atomic": 0.05177828885504994,
"volume": 77.25245635671253,
"volume_molar": 11.63062915589699,
"formula_full": "K1 Y1 Be2",
"formula_reduced": "KYBe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6028314125,
"spacegroup": 216
},
{
"id": "jvasp-93777",
"created_at": "2022-09-04T14:36:10.230842Z",
"updated_at": "2022-09-04T14:36:10.230867Z",
"structure_string": "Sm4 Sb2\n1.0\n4.493711 -0.000000 0.000000\n-0.000000 4.493711 0.000000\n-2.246855 -2.246855 8.731531\nSm Sb\n4 2\ndirect\n0.500000 0.000000 0.000000 Sm\n0.000000 0.500000 0.000000 Sm\n0.821505 0.821505 0.643010 Sm\n0.178494 0.178494 0.356990 Sm\n0.639384 0.639384 0.278769 Sb\n0.360615 0.360615 0.721230 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Sb"
],
"chemical_system": "Sb-Sm",
"density": 7.957645171103112,
"density_atomic": 0.03402910861229743,
"volume": 176.31963470920073,
"volume_molar": 17.697027649509806,
"formula_full": "Sm4 Sb2",
"formula_reduced": "Sm2Sb",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0973046166666665,
"spacegroup": 139
},
{
"id": "jvasp-92167",
"created_at": "2022-09-04T14:36:10.231735Z",
"updated_at": "2022-09-04T14:36:10.231765Z",
"structure_string": "Cu2 P2 N4\n1.0\n-4.490290 0.000000 0.000000\n-0.000000 4.490290 0.000000\n2.245146 -2.245146 -3.875439\nCu P N\n2 2 4\ndirect\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.750000 0.250000 0.500000 P\n0.000000 0.000000 0.000000 P\n0.875000 0.960171 0.250000 N\n0.375000 0.289828 0.250000 N\n0.710171 0.124999 0.750000 N\n0.039828 0.624999 0.750000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"P",
"N"
],
"chemical_system": "Cu-N-P",
"density": 5.2079049328926175,
"density_atomic": 0.10238122013505532,
"volume": 78.13933052806821,
"volume_molar": 5.882075591652399,
"formula_full": "Cu2 P2 N4",
"formula_reduced": "CuPN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.1571606125,
"spacegroup": 122
},
{
"id": "jvasp-42633",
"created_at": "2022-09-04T14:36:10.233213Z",
"updated_at": "2022-09-04T14:36:10.233249Z",
"structure_string": "Li2 Mn4 P4 O16\n1.0\n0.000000 5.262601 0.187635\n5.955804 0.000000 0.000000\n0.000000 -5.010359 -9.465336\nLi Mn P O\n2 4 4 16\ndirect\n0.069119 0.370417 0.445374 Li\n0.069119 0.629583 0.945375 Li\n0.440238 0.879751 0.667230 Mn\n0.532443 0.356896 0.856060 Mn\n0.440237 0.120249 0.167230 Mn\n0.532443 0.643104 0.356060 Mn\n0.899510 0.603699 0.632283 P\n0.100015 0.110553 0.863550 P\n0.100014 0.889446 0.363550 P\n0.899510 0.396301 0.132283 P\n0.764189 0.879518 0.268825 O\n0.798144 0.818031 0.535664 O\n0.772782 0.420415 0.510230 O\n0.213554 0.919801 0.974391 O\n0.223539 0.331815 0.951148 O\n0.774614 0.388326 0.234818 O\n0.242393 0.589838 0.720011 O\n0.223539 0.668185 0.451148 O\n0.798144 0.181968 0.035664 O\n0.772782 0.579585 0.010230 O\n0.213554 0.080198 0.474391 O\n0.764189 0.120482 0.768825 O\n0.242393 0.410161 0.220010 O\n0.253023 0.894887 0.267794 O\n0.253024 0.105112 0.767794 O\n0.774614 0.611674 0.734818 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.500060544422364,
"density_atomic": 0.08932465468444017,
"volume": 291.07305359142964,
"volume_molar": 6.741857308348512,
"formula_full": "Li2 Mn4 P4 O16",
"formula_reduced": "LiMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 3.0919564217506634,
"spacegroup": 7
},
{
"id": "jvasp-70286",
"created_at": "2022-09-04T14:36:10.235388Z",
"updated_at": "2022-09-04T14:36:10.235411Z",
"structure_string": "Be2 Ni1 Ge1\n1.0\n-1.728090 1.728090 3.534622\n1.728090 -1.728090 3.534622\n1.728090 1.728090 -3.534622\nBe Ni Ge\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Ni\n0.500000 0.500000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ni",
"Ge"
],
"chemical_system": "Be-Ge-Ni",
"density": 5.874098423196477,
"density_atomic": 0.09473802126498884,
"volume": 42.22169670202127,
"volume_molar": 6.356625016639996,
"formula_full": "Be2 Ni1 Ge1",
"formula_reduced": "Be2NiGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.3717651375,
"spacegroup": 119
},
{
"id": "jvasp-71780",
"created_at": "2022-09-04T14:36:10.237202Z",
"updated_at": "2022-09-04T14:36:10.237228Z",
"structure_string": "Be1 Ga2 Mo1\n1.0\n-1.801691 1.801691 4.153369\n1.801691 -1.801691 4.153369\n1.801691 1.801691 -4.153369\nBe Ga Mo\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Be\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.250000 0.750000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Mo"
],
"chemical_system": "Be-Ga-Mo",
"density": 7.525336801205642,
"density_atomic": 0.07417180787200728,
"volume": 53.92884594241656,
"volume_molar": 8.119177532239684,
"formula_full": "Be1 Ga2 Mo1",
"formula_reduced": "BeGa2Mo",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7099666624999998,
"spacegroup": 139
},
{
"id": "jvasp-93844",
"created_at": "2022-09-04T14:36:10.245621Z",
"updated_at": "2022-09-04T14:36:10.245650Z",
"structure_string": "K2 Li2 S2\n1.0\n-2.087484 -3.615617 0.000000\n-2.087484 3.615617 -0.000000\n0.000000 0.000000 -8.921886\nK Li S\n2 2 2\ndirect\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.333329 0.666669 0.750000 Li\n0.666669 0.333329 0.250000 Li\n0.666661 0.333337 0.750000 S\n0.333337 0.666661 0.250000 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Li",
"S"
],
"chemical_system": "K-Li-S",
"density": 1.9260244547672456,
"density_atomic": 0.044551159325999595,
"volume": 134.67662998611266,
"volume_molar": 13.517360380980122,
"formula_full": "K2 Li2 S2",
"formula_reduced": "KLiS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.043266,
"spacegroup": 194
},
{
"id": "jvasp-70013",
"created_at": "2022-09-04T14:36:10.246692Z",
"updated_at": "2022-09-04T14:36:10.246713Z",
"structure_string": "Be2 Cd1 Tc1\n1.0\n-1.724638 1.724638 4.328411\n1.724638 -1.724638 4.328411\n1.724638 1.724638 -4.328411\nBe Cd Tc\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500000 0.500000 0.000000 Cd\n0.750001 0.250000 0.500001 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Tc"
],
"chemical_system": "Be-Cd-Tc",
"density": 7.365937845978985,
"density_atomic": 0.0776739884341657,
"volume": 51.49729118635756,
"volume_molar": 7.753098407073815,
"formula_full": "Be2 Cd1 Tc1",
"formula_reduced": "Be2CdTc",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8833733625000004,
"spacegroup": 119
},
{
"id": "jvasp-87115",
"created_at": "2022-09-04T14:36:10.251329Z",
"updated_at": "2022-09-04T14:36:10.251356Z",
"structure_string": "Pr2 Fe17\n1.0\n6.287299 0.030509 0.788304\n0.699403 6.248352 0.788304\n0.033948 0.030509 6.336435\nPr Fe\n2 17\ndirect\n0.344903 0.344903 0.344903 Pr\n0.655097 0.655097 0.655095 Pr\n0.849037 0.334440 0.334439 Fe\n0.150963 0.665560 0.665559 Fe\n0.665559 0.665560 0.150963 Fe\n0.665560 0.150964 0.665559 Fe\n0.285321 1.000000 0.714677 Fe\n-0.000000 0.714679 0.285321 Fe\n0.714679 0.285321 -0.000001 Fe\n0.334441 0.334440 0.849035 Fe\n0.285321 0.714679 0.999999 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 0.000000 -0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.909004 0.909004 0.909002 Fe\n0.090996 0.090996 0.090996 Fe\n0.334440 0.849036 0.334439 Fe\n1.000000 0.285321 0.714677 Fe\n0.714679 0.000000 0.285320 Fe\n",
"nsites": 19,
"nelements": 2,
"elements": [
"Pr",
"Fe"
],
"chemical_system": "Fe-Pr",
"density": 8.227303140779242,
"density_atomic": 0.07646106541142754,
"volume": 248.49248304039907,
"volume_molar": 7.876087950901032,
"formula_full": "Pr2 Fe17",
"formula_reduced": "Pr2Fe17",
"formula_anonymous": "A2B17",
"energy_above_hull": 4.102594378947368,
"spacegroup": 166
},
{
"id": "jvasp-93321",
"created_at": "2022-09-04T14:36:10.253742Z",
"updated_at": "2022-09-04T14:36:10.253766Z",
"structure_string": "Ce2 Mg4\n1.0\n3.130048 -0.000000 -0.000000\n-1.565024 2.710701 -0.000000\n0.000000 0.000000 17.115040\nCe Mg\n2 4\ndirect\n0.333334 0.666667 0.174977 Ce\n0.333334 0.666667 0.825022 Ce\n0.333334 0.666667 0.500000 Mg\n0.000000 0.000000 0.346143 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.653857 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 4.316187436821946,
"density_atomic": 0.041318135763065846,
"volume": 145.21468331500526,
"volume_molar": 14.575054389029752,
"formula_full": "Ce2 Mg4",
"formula_reduced": "CeMg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5544851190476191,
"spacegroup": 187
}
]
}