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=id&page=63",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=61",
"results": [
{
"id": "jvasp-100847",
"created_at": "2022-09-04T14:37:02.325507Z",
"updated_at": "2022-09-04T14:37:02.325534Z",
"structure_string": "Ce2 Zn1 Sb4\n1.0\n4.394363 -0.000000 0.000000\n0.000000 4.394363 0.000000\n-0.000000 -0.000000 9.925525\nCe Zn Sb\n2 1 4\ndirect\n0.500000 0.000000 0.751139 Ce\n-0.000000 0.500000 0.248861 Ce\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 -0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.340877 Sb\n-0.000000 0.500000 0.659122 Sb\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Sb"
],
"chemical_system": "Ce-Sb-Zn",
"density": 7.214104123439417,
"density_atomic": 0.03652184372234194,
"volume": 191.66611776824965,
"volume_molar": 16.489147716044805,
"formula_full": "Ce2 Zn1 Sb4",
"formula_reduced": "Ce2ZnSb4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.400840828571429,
"spacegroup": 115
},
{
"id": "jvasp-100848",
"created_at": "2022-09-04T14:36:41.686145Z",
"updated_at": "2022-09-04T14:36:41.686171Z",
"structure_string": "Ce2 Al1 Fe3\n1.0\n4.505557 0.000000 2.685089\n-3.052869 4.264943 0.000000\n-0.006217 -0.004450 5.133120\nCe Al Fe\n2 1 3\ndirect\n0.517063 0.758532 0.724404 Ce\n0.982936 0.991467 0.025597 Ce\n0.750000 0.375000 0.875000 Al\n0.250000 0.375000 0.375000 Fe\n0.249999 0.874999 0.375000 Fe\n0.750000 0.375000 0.375000 Fe\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Al",
"Fe"
],
"chemical_system": "Al-Ce-Fe",
"density": 7.983545025004159,
"density_atomic": 0.060762312692230154,
"volume": 98.74541856875761,
"volume_molar": 9.910980167102935,
"formula_full": "Ce2 Al1 Fe3",
"formula_reduced": "Ce2AlFe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.9915867166666663,
"spacegroup": 166
},
{
"id": "jvasp-100849",
"created_at": "2022-09-04T14:36:41.387482Z",
"updated_at": "2022-09-04T14:36:41.387502Z",
"structure_string": "Ca1 Mn3 O4\n1.0\n3.255010 0.000000 0.000000\n0.000000 3.255010 0.000000\n-0.000000 -0.000000 8.822439\nCa Mn O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.742192 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.257808 Mn\n0.000000 0.000000 0.263338 O\n0.500000 0.500000 -0.000000 O\n0.000000 0.000000 0.736662 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 4.776722390588527,
"density_atomic": 0.08558480558585475,
"volume": 93.47453610763614,
"volume_molar": 7.036460173948592,
"formula_full": "Ca1 Mn3 O4",
"formula_reduced": "CaMn3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 2.968770768017241,
"spacegroup": 123
},
{
"id": "jvasp-10085",
"created_at": "2022-09-04T14:38:33.080452Z",
"updated_at": "2022-09-04T14:38:33.080476Z",
"structure_string": "Rb4 Ti2 Cu4 S8\n1.0\n5.608815 -0.000000 0.000000\n0.000000 5.608815 0.000000\n0.000000 0.000000 13.196719\nRb Ti Cu S\n4 2 4 8\ndirect\n0.762132 0.762132 0.000000 Rb\n0.237869 0.762132 0.500000 Rb\n0.762132 0.237869 0.500000 Rb\n0.237869 0.237869 0.000000 Rb\n0.500000 0.500000 0.750000 Ti\n0.500000 0.500000 0.250000 Ti\n0.500000 0.000000 0.250000 Cu\n0.000000 0.500000 0.250000 Cu\n0.000000 0.500000 0.750000 Cu\n0.500000 0.000000 0.750000 Cu\n0.262075 0.737926 0.152074 S\n0.737926 0.737926 0.652074 S\n0.262075 0.262075 0.652074 S\n0.737926 0.737926 0.347926 S\n0.737926 0.262075 0.152074 S\n0.262075 0.737926 0.847926 S\n0.262075 0.262075 0.347926 S\n0.737926 0.262075 0.847926 S\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Ti",
"Cu",
"S"
],
"chemical_system": "Cu-Rb-S-Ti",
"density": 3.793070029414163,
"density_atomic": 0.04335750717974043,
"volume": 415.15301895425443,
"volume_molar": 13.88949953934149,
"formula_full": "Rb4 Ti2 Cu4 S8",
"formula_reduced": "Rb2Ti(CuS2)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.0116876925925926,
"spacegroup": 132
},
{
"id": "jvasp-100850",
"created_at": "2022-09-04T14:36:38.466859Z",
"updated_at": "2022-09-04T14:36:38.466880Z",
"structure_string": "Bi2 Te1 Se2\n1.0\n4.146808 -0.022000 9.368534\n1.963047 3.652800 9.368534\n-0.037022 -0.022000 10.245198\nBi Te Se\n2 1 2\ndirect\n0.395586 0.395586 0.395585 Bi\n0.601283 0.601283 0.601281 Bi\n0.789617 0.789616 0.789614 Te\n0.997516 0.997514 0.997512 Se\n0.216002 0.216002 0.216001 Se\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Bi",
"Te",
"Se"
],
"chemical_system": "Bi-Se-Te",
"density": 7.423666310610928,
"density_atomic": 0.031775112763005375,
"volume": 157.35585384991367,
"volume_molar": 18.952382025883363,
"formula_full": "Bi2 Te1 Se2",
"formula_reduced": "Bi2TeSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.09741662,
"spacegroup": 160
},
{
"id": "jvasp-100851",
"created_at": "2022-09-04T14:36:38.557018Z",
"updated_at": "2022-09-04T14:36:38.557036Z",
"structure_string": "Ca1 Y2 Te4\n1.0\n4.389365 0.000000 0.000000\n-0.000000 7.145102 2.308831\n0.000000 0.028376 7.663392\nCa Y Te\n1 2 4\ndirect\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Y\n0.499999 0.500000 -0.000000 Y\n0.499999 0.759855 0.247979 Te\n0.000000 0.252144 0.241617 Te\n0.499999 0.240145 0.752020 Te\n0.000000 0.747856 0.758383 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ca",
"Y",
"Te"
],
"chemical_system": "Ca-Te-Y",
"density": 5.037812975235473,
"density_atomic": 0.029159952706916906,
"volume": 240.05525901760328,
"volume_molar": 20.652093714032375,
"formula_full": "Ca1 Y2 Te4",
"formula_reduced": "Ca(YTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.2492174838095238,
"spacegroup": 10
},
{
"id": "jvasp-100852",
"created_at": "2022-09-04T14:37:04.917433Z",
"updated_at": "2022-09-04T14:37:04.917457Z",
"structure_string": "Ba2 In1 Cu1 O4\n1.0\n4.191335 -0.000000 0.000000\n0.000000 4.191335 0.000000\n-0.000000 -0.000000 8.238499\nBa In Cu O\n2 1 1 4\ndirect\n0.499999 0.499999 0.767429 Ba\n0.499999 0.499999 0.232571 Ba\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 Cu\n-0.000000 0.499999 -0.000000 O\n0.499999 0.000000 -0.000000 O\n0.000000 0.000000 0.719580 O\n0.000000 0.000000 0.280420 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ba",
"In",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-In-O",
"density": 5.931983078491948,
"density_atomic": 0.055276068415671537,
"volume": 144.72809353662151,
"volume_molar": 10.894661890049763,
"formula_full": "Ba2 In1 Cu1 O4",
"formula_reduced": "Ba2InCuO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.9388445449999998,
"spacegroup": 123
},
{
"id": "jvasp-100853",
"created_at": "2022-09-04T14:36:42.769095Z",
"updated_at": "2022-09-04T14:36:42.769104Z",
"structure_string": "Ba2 Ge3\n1.0\n6.430618 0.064655 -1.504090\n-1.029626 3.862420 -5.257461\n-0.045975 -0.064655 6.604015\nBa Ge\n2 3\ndirect\n0.777516 0.764945 0.012569 Ba\n0.247624 0.235054 0.012570 Ba\n0.646202 -0.000000 0.646202 Ge\n0.341436 -0.000000 0.341436 Ge\n0.822282 0.499999 0.322281 Ge\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ba",
"Ge"
],
"chemical_system": "Ba-Ge",
"density": 5.051153752318222,
"density_atomic": 0.030877349299165795,
"volume": 161.93099840131302,
"volume_molar": 19.503425315600843,
"formula_full": "Ba2 Ge3",
"formula_reduced": "Ba2Ge3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.4215051899999999,
"spacegroup": 44
},
{
"id": "jvasp-100854",
"created_at": "2022-09-04T14:36:43.071317Z",
"updated_at": "2022-09-04T14:36:43.071343Z",
"structure_string": "Pm2 Se4\n1.0\n4.146641 -0.000000 0.000000\n0.000000 4.146641 0.000000\n0.000000 0.000000 8.494724\nPm Se\n2 4\ndirect\n-0.000000 0.500000 0.726175 Pm\n0.500000 0.000000 0.273824 Pm\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 -0.000000 Se\n-0.000000 0.500000 0.368125 Se\n0.500000 0.000000 0.631875 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pm",
"Se"
],
"chemical_system": "Pm-Se",
"density": 6.887552043329873,
"density_atomic": 0.04107798221750822,
"volume": 146.06364957825718,
"volume_molar": 14.660264294659656,
"formula_full": "Pm2 Se4",
"formula_reduced": "PmSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7259593027777778,
"spacegroup": 129
},
{
"id": "jvasp-100855",
"created_at": "2022-09-04T14:36:43.457507Z",
"updated_at": "2022-09-04T14:36:43.457535Z",
"structure_string": "Pm1 S1\n1.0\n3.488718 -0.000000 2.014212\n1.162906 3.289195 2.014212\n-0.000000 -0.000000 4.028425\nPm S\n1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500001 0.499999 0.499999 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pm",
"S"
],
"chemical_system": "Pm-S",
"density": 6.360496988741902,
"density_atomic": 0.04326525082088143,
"volume": 46.22647418086214,
"volume_molar": 13.919116717782876,
"formula_full": "Pm1 S1",
"formula_reduced": "PmS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0743855875000001,
"spacegroup": 225
},
{
"id": "jvasp-100856",
"created_at": "2022-09-04T14:36:43.031772Z",
"updated_at": "2022-09-04T14:36:43.031788Z",
"structure_string": "Mo2 S6\n1.0\n4.449590 0.000000 0.000000\n-0.000000 5.857944 1.647963\n-0.000000 0.114134 7.430008\nMo S\n2 6\ndirect\n0.250000 0.709026 0.294319 Mo\n0.750000 0.290973 0.705682 Mo\n0.750000 0.549327 0.369399 S\n0.250000 0.450671 0.630601 S\n0.250000 0.054337 0.302725 S\n0.750000 0.945662 0.697275 S\n0.250000 0.710696 0.006965 S\n0.750000 0.289302 0.993035 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mo",
"S"
],
"chemical_system": "Mo-S",
"density": 3.3091155136617445,
"density_atomic": 0.04148741129155522,
"volume": 192.8295777188779,
"volume_molar": 14.515585746430531,
"formula_full": "Mo2 S6",
"formula_reduced": "MoS3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.8283389750000003,
"spacegroup": 11
},
{
"id": "jvasp-100857",
"created_at": "2022-09-04T14:37:09.840048Z",
"updated_at": "2022-09-04T14:37:09.840071Z",
"structure_string": "Sb4 S3 N2\n1.0\n5.461811 0.333301 4.646100\n1.051598 3.572512 -0.000000\n-0.909784 0.267802 9.124413\nSb S N\n4 3 2\ndirect\n0.241178 0.879410 0.594335 Sb\n0.758823 0.120588 0.405664 Sb\n0.625204 0.687397 0.121867 Sb\n0.374797 0.312601 0.878132 Sb\n0.000000 0.000000 0.000000 S\n0.706569 0.646715 0.705792 S\n0.293432 0.353283 0.294207 S\n0.615692 0.692153 0.359129 N\n0.384309 0.307845 0.640870 N\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sb",
"S",
"N"
],
"chemical_system": "N-S-Sb",
"density": 5.307193008220819,
"density_atomic": 0.04705876859936922,
"volume": 191.2502232393866,
"volume_molar": 12.797064052544547,
"formula_full": "Sb4 S3 N2",
"formula_reduced": "Sb4S3N2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.940918988888889,
"spacegroup": 12
}
]
}