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=513",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-updated_at&page=511",
"results": [
{
"id": "jvasp-115919",
"created_at": "2022-09-04T14:38:40.232013Z",
"updated_at": "2022-09-04T14:38:40.232032Z",
"structure_string": "Rb1 Pd1 Cl1\n1.0\n3.720476 0.000000 0.000000\n0.000000 3.720476 -0.000000\n0.000000 -0.000000 7.740391\nRb Pd Cl\n1 1 1\ndirect\n0.000000 0.000000 0.660133 Rb\n0.000000 0.000000 -0.004816 Pd\n0.000000 0.000000 0.295593 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Rb",
"Pd",
"Cl"
],
"chemical_system": "Cl-Pd-Rb",
"density": 3.523437460879146,
"density_atomic": 0.02800021336575386,
"volume": 107.14204069848986,
"volume_molar": 21.507481679998495,
"formula_full": "Rb1 Pd1 Cl1",
"formula_reduced": "RbPdCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3673047583333333,
"spacegroup": 99
},
{
"id": "jvasp-106379",
"created_at": "2022-09-04T14:38:40.231897Z",
"updated_at": "2022-09-04T14:38:40.231926Z",
"structure_string": "B2 Mo2 W2 C2\n1.0\n8.926560 -0.009741 0.000000\n-8.377287 3.082955 -0.000000\n-0.000000 0.000000 3.076133\nB Mo W C\n2 2 2 2\ndirect\n0.528027 0.471972 0.749999 B\n0.471972 0.528027 0.250000 B\n0.684806 0.315193 0.749999 Mo\n0.315192 0.684806 0.250000 Mo\n0.927298 0.072703 0.749999 W\n0.072701 0.927296 0.250000 W\n0.808056 0.191944 0.749999 C\n0.191942 0.808055 0.250000 C\n",
"nsites": 8,
"nelements": 4,
"elements": [
"B",
"Mo",
"W",
"C"
],
"chemical_system": "B-C-Mo-W",
"density": 11.906489182250702,
"density_atomic": 0.09478142897109948,
"volume": 84.40472027953219,
"volume_molar": 6.353713829147118,
"formula_full": "B2 Mo2 W2 C2",
"formula_reduced": "BMoWC",
"formula_anonymous": "ABCD",
"energy_above_hull": 6.041404620833333,
"spacegroup": 63
},
{
"id": "jvasp-115996",
"created_at": "2022-09-04T14:38:40.229554Z",
"updated_at": "2022-09-04T14:38:40.229581Z",
"structure_string": "Sr1 In1 F2\n1.0\n3.519483 0.000000 0.000000\n0.000000 3.519483 -0.000000\n0.000000 -0.000000 6.850461\nSr In F\n1 1 2\ndirect\n0.500000 0.500000 0.481482 Sr\n0.000000 0.000000 0.914184 In\n0.000000 0.000000 0.458918 F\n0.500000 0.500000 0.155415 F\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"In",
"F"
],
"chemical_system": "F-In-Sr",
"density": 4.705100387626376,
"density_atomic": 0.0471392262347728,
"volume": 84.8550203195604,
"volume_molar": 12.775221913926323,
"formula_full": "Sr1 In1 F2",
"formula_reduced": "SrInF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-106372",
"created_at": "2022-09-04T14:38:40.227804Z",
"updated_at": "2022-09-04T14:38:40.227834Z",
"structure_string": "Cd1 Ag1\n1.0\n2.894306 -0.009336 4.218387\n1.301145 2.585365 4.218387\n-0.015205 -0.009336 5.115815\nCd Ag\n1 1\ndirect\n0.500001 0.499999 0.500001 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd",
"density": 9.483071411448753,
"density_atomic": 0.051850915471466856,
"volume": 38.57212513635529,
"volume_molar": 11.614338349173288,
"formula_full": "Cd1 Ag1",
"formula_reduced": "CdAg",
"formula_anonymous": "AB",
"energy_above_hull": 0.35632125,
"spacegroup": 166
},
{
"id": "jvasp-106375",
"created_at": "2022-09-04T14:38:40.223907Z",
"updated_at": "2022-09-04T14:38:40.223940Z",
"structure_string": "Ca2 Ga2 Cu2\n1.0\n4.336700 0.008025 3.404636\n2.057073 3.817784 3.404636\n0.031441 0.018813 7.202522\nCa Ga Cu\n2 2 2\ndirect\n0.552723 0.552720 0.693335 Ca\n0.447278 0.447276 0.306667 Ca\n0.830493 0.830491 0.106847 Ga\n0.169507 0.169506 0.893155 Ga\n0.164349 0.164348 0.272130 Cu\n0.835652 0.835649 0.727872 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Cu"
],
"chemical_system": "Ca-Cu-Ga",
"density": 4.855087371766413,
"density_atomic": 0.050600274994628956,
"volume": 118.57643067427755,
"volume_molar": 11.901399272314684,
"formula_full": "Ca2 Ga2 Cu2",
"formula_reduced": "CaGaCu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-115980",
"created_at": "2022-09-04T14:38:40.223855Z",
"updated_at": "2022-09-04T14:38:40.223894Z",
"structure_string": "Cu2 I2\n1.0\n4.041752 0.000000 -0.000000\n0.000000 4.041752 0.000000\n0.000000 -0.000000 5.771779\nCu I\n2 2\ndirect\n-0.000000 0.000000 0.250063 Cu\n0.500000 0.500000 0.749939 Cu\n-0.000000 0.000000 0.750028 I\n0.500000 0.500000 0.249972 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 6.708294563925018,
"density_atomic": 0.04242393745466742,
"volume": 94.28639206990736,
"volume_molar": 14.195148119938247,
"formula_full": "Cu2 I2",
"formula_reduced": "CuI",
"formula_anonymous": "AB",
"energy_above_hull": 0.08723,
"spacegroup": 225
},
{
"id": "jvasp-103429",
"created_at": "2022-09-04T14:38:40.212670Z",
"updated_at": "2022-09-04T14:38:40.212686Z",
"structure_string": "Sc2 Ga3 Cu1\n1.0\n3.245812 0.000000 0.000000\n0.000000 4.282328 0.000000\n0.000000 0.000000 7.403481\nSc Ga Cu\n2 3 1\ndirect\n0.000000 0.000000 0.001861 Sc\n0.000000 0.500000 0.499471 Sc\n0.500000 0.500000 0.836613 Ga\n0.500000 0.500000 0.176995 Ga\n0.500000 0.000000 0.655832 Ga\n0.500000 0.000000 0.329229 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Sc",
"density": 5.85153446784869,
"density_atomic": 0.058305831627426884,
"volume": 102.90565853412197,
"volume_molar": 10.328539344882962,
"formula_full": "Sc2 Ga3 Cu1",
"formula_reduced": "Sc2Ga3Cu",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.5490713208333334,
"spacegroup": 25
},
{
"id": "jvasp-115821",
"created_at": "2022-09-04T14:38:40.210832Z",
"updated_at": "2022-09-04T14:38:40.210857Z",
"structure_string": "Cd1 Pd1 F1\n1.0\n4.544428 0.000000 0.000000\n-2.272214 3.935590 -0.000000\n-0.000000 -0.000000 2.867797\nCd Pd F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.666668 0.333333 0.000000 Pd\n0.333335 0.666666 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Cd",
"Pd",
"F"
],
"chemical_system": "Cd-F-Pd",
"density": 7.69975953014734,
"density_atomic": 0.058490289805414895,
"volume": 51.29056480965268,
"volume_molar": 10.295966698121035,
"formula_full": "Cd1 Pd1 F1",
"formula_reduced": "CdPdF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-114289",
"created_at": "2022-09-04T14:38:40.204808Z",
"updated_at": "2022-09-04T14:38:40.204833Z",
"structure_string": "Ge1 H2 O1\n1.0\n2.825444 -1.723292 -0.178322\n2.825444 1.723292 -0.178322\n-2.058693 0.000000 4.829056\nGe H O\n1 2 1\ndirect\n0.756526 0.756526 0.761578 Ge\n0.698038 0.698038 0.288892 H\n0.447051 0.447051 0.792728 H\n0.569453 0.569453 0.366807 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ge",
"H",
"O"
],
"chemical_system": "Ge-H-O",
"density": 3.289648906635797,
"density_atomic": 0.08741125182598093,
"volume": 45.7606991827921,
"volume_molar": 6.889434293869775,
"formula_full": "Ge1 H2 O1",
"formula_reduced": "GeH2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9971648625,
"spacegroup": 8
},
{
"id": "jvasp-112387",
"created_at": "2022-09-04T14:38:40.202107Z",
"updated_at": "2022-09-04T14:38:40.202135Z",
"structure_string": "Ti4 Cr4 Ag4 S16\n1.0\n3.455736 -0.000000 0.000000\n0.000000 11.201095 0.000000\n0.000000 -0.000000 12.860619\nTi Cr Ag S\n4 4 4 16\ndirect\n-0.000000 0.800454 0.115571 Ti\n0.500001 0.199546 0.615571 Ti\n-0.000000 0.822768 0.588812 Ti\n0.500001 0.177232 0.088812 Ti\n0.500001 0.691685 0.888725 Cr\n-0.000000 0.308315 0.388725 Cr\n0.500001 0.663112 0.409293 Cr\n-0.000000 0.336887 0.909293 Cr\n0.500001 0.005082 0.818312 Ag\n-0.000000 0.498645 0.187008 Ag\n0.000000 -0.005082 0.318312 Ag\n0.500001 0.501354 0.687008 Ag\n0.500001 0.950965 0.146080 S\n-0.000000 0.548131 0.848706 S\n-0.000000 0.130308 0.962210 S\n0.500001 0.377466 0.032353 S\n0.500001 0.869691 0.462210 S\n-0.000000 0.622533 0.532353 S\n0.500001 0.164856 0.428742 S\n0.500001 0.784895 0.714826 S\n-0.000000 0.835144 0.928742 S\n0.500001 0.656138 0.069157 S\n-0.000000 0.215104 0.214826 S\n0.500001 0.285275 0.790205 S\n0.500001 0.451869 0.348706 S\n-0.000000 0.714724 0.290205 S\n-0.000000 0.343861 0.569157 S\n-0.000000 0.049035 0.646080 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ti",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Ti",
"density": 4.483056483339446,
"density_atomic": 0.056246450520955074,
"volume": 497.8091904584872,
"volume_molar": 10.706703630580925,
"formula_full": "Ti4 Cr4 Ag4 S16",
"formula_reduced": "TiCrAgS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.474213284761906,
"spacegroup": 31
},
{
"id": "jvasp-110762",
"created_at": "2022-09-04T14:38:40.197071Z",
"updated_at": "2022-09-04T14:38:40.197099Z",
"structure_string": "Ca1 Tb1 Hg2\n1.0\n4.559808 -0.000000 2.632606\n1.519936 4.299028 2.632606\n-0.000000 -0.000000 5.265213\nTb Ca Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500001 0.500000 0.500000 Ca\n0.250000 0.250000 0.250000 Hg\n0.750001 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Ca",
"Hg"
],
"chemical_system": "Ca-Hg-Tb",
"density": 9.656066897199876,
"density_atomic": 0.03875495317423222,
"volume": 103.21261341787816,
"volume_molar": 15.539022155248174,
"formula_full": "Ca1 Tb1 Hg2",
"formula_reduced": "CaTbHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-115880",
"created_at": "2022-09-04T14:38:40.196338Z",
"updated_at": "2022-09-04T14:38:40.196375Z",
"structure_string": "Sn1 I1 Cl1\n1.0\n3.303995 0.000000 0.000000\n0.000000 3.303995 -0.000000\n0.000000 0.000000 9.770766\nSn I Cl\n1 1 1\ndirect\n0.000000 0.000000 0.623680 Sn\n0.000000 0.000000 0.007254 I\n0.000000 0.000000 0.380761 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sn",
"I",
"Cl"
],
"chemical_system": "Cl-I-Sn",
"density": 4.375748036233394,
"density_atomic": 0.02812638255177401,
"volume": 106.66142346879164,
"volume_molar": 21.411003526367686,
"formula_full": "Sn1 I1 Cl1",
"formula_reduced": "SnICl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1908933333333333,
"spacegroup": 99
}
]
}