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=-formula_anonymous&page=690",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=688",
"results": [
{
"id": "jvasp-52016",
"created_at": "2022-09-04T14:37:37.746217Z",
"updated_at": "2022-09-04T14:37:37.746244Z",
"structure_string": "Fe1 Bi1 O3\n1.0\n4.764233 -0.253489 2.299534\n1.337287 4.579721 2.299532\n-0.357508 -0.253487 5.278065\nFe Bi O\n1 1 3\ndirect\n0.280407 0.280407 0.280407 Fe\n0.029084 0.029084 0.029084 Bi\n0.024932 0.186302 0.593274 O\n0.593274 0.024932 0.186302 O\n0.186303 0.593274 0.024931 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Fe",
"Bi",
"O"
],
"chemical_system": "Bi-Fe-O",
"density": 4.225914631750613,
"density_atomic": 0.040676363229852866,
"volume": 122.92151025759452,
"volume_molar": 14.805012744060361,
"formula_full": "Fe1 Bi1 O3",
"formula_reduced": "FeBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.28324406,
"spacegroup": 146
},
{
"id": "jvasp-39720",
"created_at": "2022-09-04T14:37:43.504460Z",
"updated_at": "2022-09-04T14:37:43.504469Z",
"structure_string": "Yb1 Ge1 O3\n1.0\n3.725481 -0.000000 -0.000000\n-0.000000 3.725481 -0.000000\n0.000000 0.000000 3.725481\nYb Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Ge",
"O"
],
"chemical_system": "Ge-O-Yb",
"density": 9.431347538938018,
"density_atomic": 0.09669921440473302,
"volume": 51.706728237445446,
"volume_molar": 6.227703913699263,
"formula_full": "Yb1 Ge1 O3",
"formula_reduced": "YbGeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.09498466,
"spacegroup": 221
},
{
"id": "jvasp-23511",
"created_at": "2022-09-04T14:37:43.495595Z",
"updated_at": "2022-09-04T14:37:43.495614Z",
"structure_string": "Ca4 Ru4 O12\n1.0\n5.329074 0.000000 0.000000\n-0.000000 5.586906 0.000000\n0.000000 0.000000 7.676982\nCa Ru O\n4 4 12\ndirect\n0.017188 0.439165 0.250000 Ca\n0.517188 0.060836 0.750000 Ca\n0.482811 0.939165 0.250000 Ca\n0.982811 0.560836 0.750000 Ca\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.500000 Ru\n0.599605 0.529577 0.250000 O\n0.099606 0.970423 0.750000 O\n0.304809 0.200901 0.050188 O\n0.804809 0.299099 0.949812 O\n0.195190 0.700902 0.449812 O\n0.804809 0.299099 0.550188 O\n0.695190 0.799099 0.949812 O\n0.195190 0.700902 0.050188 O\n0.400394 0.470423 0.750000 O\n0.304809 0.200901 0.449812 O\n0.695190 0.799099 0.550188 O\n0.900394 0.029577 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Ru",
"O"
],
"chemical_system": "Ca-O-Ru",
"density": 5.496586561821469,
"density_atomic": 0.08750167327245381,
"volume": 228.5670576575837,
"volume_molar": 6.882314971565024,
"formula_full": "Ca4 Ru4 O12",
"formula_reduced": "CaRuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.991668284,
"spacegroup": 62
},
{
"id": "jvasp-57073",
"created_at": "2022-09-04T14:37:43.430817Z",
"updated_at": "2022-09-04T14:37:43.430838Z",
"structure_string": "Ca4 Si4 O12\n1.0\n5.091862 -0.000000 0.000000\n0.000000 5.110835 0.000000\n0.000000 0.000000 7.174208\nCa Si O\n4 4 12\ndirect\n0.499248 0.999140 0.250000 Ca\n0.500752 0.000861 0.750000 Ca\n0.999248 0.500862 0.250000 Ca\n0.000752 0.499139 0.750000 Ca\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.248637 0.748637 0.481177 O\n0.251362 0.248636 0.518824 O\n0.499867 0.536716 0.750000 O\n0.751362 0.251364 0.981177 O\n0.500133 0.463284 0.250000 O\n0.251362 0.248636 0.981177 O\n0.751362 0.251364 0.518824 O\n0.999866 0.963285 0.750000 O\n0.748637 0.751365 0.018823 O\n0.748637 0.751365 0.481177 O\n0.000133 0.036716 0.250000 O\n0.248637 0.748637 0.018823 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 4.132659260137013,
"density_atomic": 0.10712418889471798,
"volume": 186.69919657133713,
"volume_molar": 5.621644207657507,
"formula_full": "Ca4 Si4 O12",
"formula_reduced": "CaSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.506359904,
"spacegroup": 74
},
{
"id": "jvasp-93214",
"created_at": "2022-09-04T14:35:58.481908Z",
"updated_at": "2022-09-04T14:35:58.481939Z",
"structure_string": "Ce1 Ga1 O3\n1.0\n3.883079 0.000000 0.000000\n0.000000 3.883079 0.000000\n0.000000 0.000000 3.882928\nCe Ga O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"O"
],
"chemical_system": "Ce-Ga-O",
"density": 7.312786323060376,
"density_atomic": 0.0854000675629646,
"volume": 58.547963048314344,
"volume_molar": 7.051681493764553,
"formula_full": "Ce1 Ga1 O3",
"formula_reduced": "CeGaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.366745665,
"spacegroup": 221
},
{
"id": "jvasp-92560",
"created_at": "2022-09-04T14:35:49.401153Z",
"updated_at": "2022-09-04T14:35:49.401185Z",
"structure_string": "Th1 Co1 Si3\n1.0\n4.207399 0.000000 0.000000\n0.000000 4.207399 0.000000\n-2.103699 -2.103699 4.754176\nTh Co Si\n1 1 3\ndirect\n0.003496 0.003496 0.006990 Th\n0.664240 0.664240 0.328480 Co\n0.424209 0.424209 0.848418 Si\n0.761528 0.261528 0.523056 Si\n0.261528 0.761528 0.523056 Si\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Co",
"Si"
],
"chemical_system": "Co-Si-Th",
"density": 7.403573603645751,
"density_atomic": 0.05941106673143477,
"volume": 84.15940455340231,
"volume_molar": 10.136395609967472,
"formula_full": "Th1 Co1 Si3",
"formula_reduced": "ThCoSi3",
"formula_anonymous": "ABC3",
"energy_above_hull": 3.29587246,
"spacegroup": 107
},
{
"id": "jvasp-52785",
"created_at": "2022-09-04T14:35:59.591207Z",
"updated_at": "2022-09-04T14:35:59.591235Z",
"structure_string": "Mn2 Sn2 O6\n1.0\n4.773086 0.004984 3.081063\n1.680897 4.467321 3.081063\n0.007193 0.004984 5.681130\nMn Sn O\n2 2 6\ndirect\n0.365750 0.365749 0.365749 Mn\n0.865751 0.865748 0.865749 Mn\n0.146967 0.146966 0.146966 Sn\n0.646968 0.646965 0.646966 Sn\n0.036590 0.763590 0.437104 O\n0.437104 0.036588 0.763591 O\n0.763592 0.437103 0.036589 O\n0.263591 0.536588 0.937104 O\n0.536591 0.937103 0.263590 O\n0.937105 0.263589 0.536589 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Sn",
"O"
],
"chemical_system": "Mn-O-Sn",
"density": 6.086313185277771,
"density_atomic": 0.08268273329839869,
"volume": 120.94423588913538,
"volume_molar": 7.283432126350171,
"formula_full": "Mn2 Sn2 O6",
"formula_reduced": "MnSnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.208595888275862,
"spacegroup": 161
},
{
"id": "jvasp-50108",
"created_at": "2022-09-04T14:35:50.248407Z",
"updated_at": "2022-09-04T14:35:50.248433Z",
"structure_string": "Lu2 Ga2 O6\n1.0\n3.443367 -0.000011 -0.000047\n-1.721694 2.982073 -0.000019\n-0.000160 -0.000171 11.710045\nLu Ga O\n2 2 6\ndirect\n-0.000002 0.000039 0.000001 Lu\n0.000015 -0.000003 0.500000 Lu\n0.333327 0.666677 0.249999 Ga\n0.666664 0.333362 0.750001 Ga\n0.333325 0.666703 0.085304 O\n0.000009 0.000025 0.250000 O\n0.333334 0.666655 0.414694 O\n-0.000016 0.000017 0.749999 O\n0.666665 0.333370 0.914697 O\n0.666682 0.333357 0.585305 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Lu",
"Ga",
"O"
],
"chemical_system": "Ga-Lu-O",
"density": 8.083974975422352,
"density_atomic": 0.08316501180972566,
"volume": 120.24287356417544,
"volume_molar": 7.241195099903473,
"formula_full": "Lu2 Ga2 O6",
"formula_reduced": "LuGaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.132903715,
"spacegroup": 194
},
{
"id": "jvasp-89134",
"created_at": "2022-09-04T14:35:50.400905Z",
"updated_at": "2022-09-04T14:35:50.400931Z",
"structure_string": "Tl4 Cd4 I12\n1.0\n4.436568 0.000000 0.000000\n-0.000000 10.134274 0.000000\n0.000000 0.000000 16.361685\nTl Cd I\n4 4 12\ndirect\n0.750000 0.559515 0.175758 Tl\n0.750000 0.059515 0.324242 Tl\n0.250000 0.940484 0.675758 Tl\n0.250000 0.440484 0.824242 Tl\n0.250000 0.667405 0.443434 Cd\n0.750000 0.832595 0.943435 Cd\n0.250000 0.167405 0.056566 Cd\n0.750000 0.332595 0.556566 Cd\n0.250000 0.023716 0.892133 I\n0.750000 0.476284 0.392133 I\n0.250000 0.523716 0.607867 I\n0.750000 0.838483 0.510191 I\n0.750000 0.338483 0.989809 I\n0.250000 0.661516 0.010191 I\n0.750000 0.708311 0.783626 I\n0.250000 0.291688 0.216374 I\n0.750000 0.208312 0.716374 I\n0.250000 0.791688 0.283626 I\n0.750000 0.976283 0.107867 I\n0.250000 0.161516 0.489809 I\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tl",
"Cd",
"I"
],
"chemical_system": "Cd-I-Tl",
"density": 6.297820663660184,
"density_atomic": 0.027187056133691184,
"volume": 735.6441941213075,
"volume_molar": 22.150764431376388,
"formula_full": "Tl4 Cd4 I12",
"formula_reduced": "TlCdI3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-86560",
"created_at": "2022-09-04T14:35:50.700484Z",
"updated_at": "2022-09-04T14:35:50.700514Z",
"structure_string": "Mn2 Cl2 O6\n1.0\n4.900191 0.000001 -0.000040\n-0.000038 5.715135 -2.132731\n0.000008 -0.125351 6.098814\nMn Cl O\n2 2 6\ndirect\n0.407540 0.672668 0.327334 Mn\n0.907542 0.327329 0.672662 Mn\n0.282758 0.870928 0.129118 Cl\n0.782751 0.129083 0.870879 Cl\n0.291572 0.793736 0.587943 O\n0.291565 0.412060 0.206236 O\n0.791558 0.206259 0.412057 O\n0.732370 0.670122 0.329908 O\n0.791571 0.587937 0.793756 O\n0.232373 0.329884 0.670106 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O",
"density": 2.711692223245348,
"density_atomic": 0.059000944299624575,
"volume": 169.4888127419959,
"volume_molar": 10.206854875775809,
"formula_full": "Mn2 Cl2 O6",
"formula_reduced": "MnClO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.261332361775862,
"spacegroup": 36
},
{
"id": "jvasp-70148",
"created_at": "2022-09-04T14:35:58.469618Z",
"updated_at": "2022-09-04T14:35:58.469643Z",
"structure_string": "Be1 Bi1 F3\n1.0\n4.617287 0.000000 -0.000000\n0.000000 4.617287 0.000000\n-0.000000 0.000000 4.617287\nBe Bi F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Bi\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Be",
"Bi",
"F"
],
"chemical_system": "Be-Bi-F",
"density": 4.6387599648130875,
"density_atomic": 0.05079364670531595,
"volume": 98.43750792314566,
"volume_molar": 11.856090575535967,
"formula_full": "Be1 Bi1 F3",
"formula_reduced": "BeBiF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.2285982495,
"spacegroup": 221
},
{
"id": "jvasp-97854",
"created_at": "2022-09-04T14:35:47.874141Z",
"updated_at": "2022-09-04T14:35:47.874158Z",
"structure_string": "Ag2 N2 O6\n1.0\n4.508827 -0.673828 5.488817\n1.340690 3.589556 5.025757\n0.311809 -0.116120 7.497970\nAg N O\n2 2 6\ndirect\n0.358130 0.545435 0.514501 Ag\n-0.647873 0.378100 0.157446 Ag\n0.806459 0.920896 0.458538 N\n-0.001231 -0.030100 0.676961 N\n0.929833 0.195523 0.181904 O\n0.651811 -0.165754 0.277741 O\n0.735243 -0.938621 0.766683 O\n0.506522 0.948069 -0.322719 O\n-0.031282 0.610453 0.540238 O\n-0.033808 0.809802 0.022507 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ag",
"N",
"O"
],
"chemical_system": "Ag-N-O",
"density": 4.597768657782681,
"density_atomic": 0.08149733550706997,
"volume": 122.70339806548019,
"volume_molar": 7.389371348806334,
"formula_full": "Ag2 N2 O6",
"formula_reduced": "AgNO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.559202202,
"spacegroup": 1
}
]
}