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=created_at&page=4515",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4513",
"results": [
{
"id": "jvasp-117646",
"created_at": "2022-09-04T14:38:51.968091Z",
"updated_at": "2022-09-04T14:38:51.968116Z",
"structure_string": "Ca1 Be1 O1\n1.0\n6.477130 0.000000 0.000000\n0.000000 6.477130 0.000000\n0.000000 0.000000 4.762595\nCa Be O\n1 1 1\ndirect\n0.280537 0.001013 0.000000 Ca\n-0.010062 -0.037641 0.000000 Be\n0.001552 0.207084 0.000000 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Be",
"O"
],
"chemical_system": "Be-Ca-O",
"density": 0.5409432437403047,
"density_atomic": 0.015014551905253628,
"volume": 199.80616264347475,
"volume_molar": 40.10869453848196,
"formula_full": "Ca1 Be1 O1",
"formula_reduced": "CaBeO",
"formula_anonymous": "ABC",
"energy_above_hull": 1.29401334,
"spacegroup": 6
},
{
"id": "jvasp-119911",
"created_at": "2022-09-04T14:38:51.968475Z",
"updated_at": "2022-09-04T14:38:51.968502Z",
"structure_string": "B1 H1 O2\n1.0\n3.154315 0.000000 0.000000\n0.000000 3.154315 0.000000\n0.000000 0.000000 2.657384\nB H O\n1 1 2\ndirect\n0.500001 0.500001 0.480321 B\n0.000000 0.000000 0.090170 H\n0.000000 0.000000 0.460306 O\n0.500001 0.500001 0.979201 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"H",
"O"
],
"chemical_system": "B-H-O",
"density": 2.7519125786453253,
"density_atomic": 0.15128488975966162,
"volume": 26.440181873778606,
"volume_molar": 3.980662424097383,
"formula_full": "B1 H1 O2",
"formula_reduced": "BHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6637098958333336,
"spacegroup": 99
},
{
"id": "jvasp-120003",
"created_at": "2022-09-04T14:38:51.970909Z",
"updated_at": "2022-09-04T14:38:51.970934Z",
"structure_string": "Bi1 P1 Se4\n1.0\n-3.331862 3.331862 3.837668\n3.331862 -3.331862 3.837668\n3.331862 3.331862 -3.837668\nBi P Se\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Bi\n0.750000 0.250000 0.500000 P\n0.760598 0.358022 0.908035 Se\n0.449987 0.852563 0.091965 Se\n0.641978 0.550013 0.402576 Se\n0.147436 0.239402 0.597424 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Bi",
"P",
"Se"
],
"chemical_system": "Bi-P-Se",
"density": 5.415788244473652,
"density_atomic": 0.03520868844157944,
"volume": 170.4124824176735,
"volume_molar": 17.104132606337583,
"formula_full": "Bi1 P1 Se4",
"formula_reduced": "BiPSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7279088777777778,
"spacegroup": 82
},
{
"id": "jvasp-122620",
"created_at": "2022-09-04T14:38:51.971496Z",
"updated_at": "2022-09-04T14:38:51.971524Z",
"structure_string": "Tm1 Sn7\n1.0\n6.739016 0.000000 -0.000000\n0.000000 6.739016 -0.000000\n-0.000000 0.000000 6.739016\nTm Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Tm\n0.255961 0.255961 0.755961 Sn\n0.000000 0.500000 0.000000 Sn\n0.255961 0.744040 0.244040 Sn\n0.500000 0.000000 0.000000 Sn\n0.744040 0.255961 0.244040 Sn\n0.500000 0.500000 0.500000 Sn\n0.744040 0.744040 0.755961 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tm",
"Sn"
],
"chemical_system": "Sn-Tm",
"density": 5.425228467472291,
"density_atomic": 0.026139695519488044,
"volume": 306.0479413019836,
"volume_molar": 23.038297272859538,
"formula_full": "Tm1 Sn7",
"formula_reduced": "TmSn7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.63678951875,
"spacegroup": 215
},
{
"id": "jvasp-118260",
"created_at": "2022-09-04T14:38:51.971868Z",
"updated_at": "2022-09-04T14:38:51.971893Z",
"structure_string": "Na1 In1 F1\n1.0\n3.322336 -0.000000 -0.000000\n-0.000000 3.322336 0.000000\n-0.000000 0.000000 7.349344\nNa In F\n1 1 1\ndirect\n0.000000 0.000000 -0.084949 Na\n0.000000 -0.000000 0.484111 In\n0.000000 -0.000000 0.194038 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Na",
"In",
"F"
],
"chemical_system": "F-In-Na",
"density": 3.2097896440412796,
"density_atomic": 0.036981589590586346,
"volume": 81.12144537896363,
"volume_molar": 16.28415875755902,
"formula_full": "Na1 In1 F1",
"formula_reduced": "NaInF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0884666666666666,
"spacegroup": 99
},
{
"id": "jvasp-119154",
"created_at": "2022-09-04T14:38:51.975195Z",
"updated_at": "2022-09-04T14:38:51.975220Z",
"structure_string": "Nd2 Ti1 Fe16\n1.0\n6.330378 0.004794 0.791970\n0.699654 6.291597 0.791970\n0.005353 0.004794 6.379723\nNd Ti Fe\n2 1 16\ndirect\n0.341259 0.341259 0.341259 Nd\n0.653354 0.653354 0.653354 Nd\n0.910775 0.910775 0.910775 Ti\n-0.000173 0.497269 -0.000173 Fe\n-0.000173 -0.000173 0.497268 Fe\n0.294429 0.705776 0.000173 Fe\n0.000172 0.294429 0.705776 Fe\n0.705776 0.000172 0.294429 Fe\n0.000172 0.705776 0.294429 Fe\n0.294429 0.000172 0.705776 Fe\n0.705776 0.294429 0.000173 Fe\n0.337551 0.842519 0.337551 Fe\n0.337551 0.337551 0.842519 Fe\n0.842519 0.337551 0.337551 Fe\n0.660784 0.159124 0.660784 Fe\n0.660784 0.660784 0.159124 Fe\n0.159124 0.660784 0.660784 Fe\n0.497269 -0.000173 -0.000173 Fe\n0.098616 0.098616 0.098616 Fe\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Nd",
"Ti",
"Fe"
],
"chemical_system": "Fe-Nd-Ti",
"density": 8.039609967986678,
"density_atomic": 0.07479626685152177,
"volume": 254.02337308781657,
"volume_molar": 8.051392152972774,
"formula_full": "Nd2 Ti1 Fe16",
"formula_reduced": "Nd2TiFe16",
"formula_anonymous": "AB2C16",
"energy_above_hull": 4.115688912280701,
"spacegroup": 160
},
{
"id": "jvasp-120011",
"created_at": "2022-09-04T14:38:51.976613Z",
"updated_at": "2022-09-04T14:38:51.976646Z",
"structure_string": "Y1 C1 Br1\n1.0\n3.417394 -0.000000 -0.000000\n-0.000000 3.417394 0.000000\n0.000000 -0.000000 6.983576\nY C Br\n1 1 1\ndirect\n0.000000 0.000000 -0.015166 Y\n0.000000 0.000000 0.672117 C\n0.000000 0.000000 0.410806 Br\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Y",
"C",
"Br"
],
"chemical_system": "Br-C-Y",
"density": 3.6815348368208154,
"density_atomic": 0.03678351991713382,
"volume": 81.55826323196969,
"volume_molar": 16.371844710801803,
"formula_full": "Y1 C1 Br1",
"formula_reduced": "YCBr",
"formula_anonymous": "ABC",
"energy_above_hull": 3.028613185,
"spacegroup": 99
},
{
"id": "jvasp-111609",
"created_at": "2022-09-04T14:38:51.981375Z",
"updated_at": "2022-09-04T14:38:51.981393Z",
"structure_string": "Dy8 Al4\n1.0\n5.073725 0.000000 0.000000\n0.000000 6.506797 0.000000\n0.000000 0.000000 9.436401\nDy Al\n8 4\ndirect\n0.250000 0.811182 0.926498 Dy\n0.250000 0.311182 0.573502 Dy\n0.750001 0.188818 0.073502 Dy\n0.750001 0.688818 0.426498 Dy\n0.250000 0.973055 0.289844 Dy\n0.250000 0.473055 0.210156 Dy\n0.750001 0.026945 0.710156 Dy\n0.750001 0.526945 0.789844 Dy\n0.250000 0.291310 0.897690 Al\n0.250000 0.791310 0.602310 Al\n0.750001 0.708691 0.102310 Al\n0.750001 0.208691 0.397690 Al\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Dy",
"Al"
],
"chemical_system": "Al-Dy",
"density": 7.504614774574592,
"density_atomic": 0.03851950308312155,
"volume": 311.5304985660148,
"volume_molar": 15.634004278312661,
"formula_full": "Dy8 Al4",
"formula_reduced": "Dy2Al",
"formula_anonymous": "AB2",
"energy_above_hull": 1.2287819333333334,
"spacegroup": 62
},
{
"id": "jvasp-119938",
"created_at": "2022-09-04T14:38:51.986678Z",
"updated_at": "2022-09-04T14:38:51.986707Z",
"structure_string": "Ba1 C1 O1\n1.0\n3.777816 -0.000000 -0.000000\n0.000000 3.777816 -0.000000\n0.000000 0.000000 6.696678\nBa C O\n1 1 1\ndirect\n0.000000 0.000000 0.380814 Ba\n0.000000 0.000000 0.795868 C\n0.000000 0.000000 -0.027568 O\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"C",
"O"
],
"chemical_system": "Ba-C-O",
"density": 2.8726214104708,
"density_atomic": 0.03138919907877272,
"volume": 95.57427675906462,
"volume_molar": 19.185391589276122,
"formula_full": "Ba1 C1 O1",
"formula_reduced": "BaCO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.3246831566666666,
"spacegroup": 99
},
{
"id": "jvasp-118265",
"created_at": "2022-09-04T14:38:51.992987Z",
"updated_at": "2022-09-04T14:38:51.993010Z",
"structure_string": "In2 O2 F2\n1.0\n3.433015 0.000000 0.000000\n0.000000 4.087609 0.000000\n0.000000 0.000000 5.691532\nIn O F\n2 2 2\ndirect\n0.000000 0.000000 0.183537 In\n0.500000 0.500000 0.816462 In\n0.500000 0.000000 0.925139 O\n0.000000 0.500000 0.074860 O\n0.000000 0.500000 0.582152 F\n0.500000 0.000000 0.417848 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"In",
"O",
"F"
],
"chemical_system": "F-In-O",
"density": 6.229633404137079,
"density_atomic": 0.07512370882354838,
"volume": 79.8682612182112,
"volume_molar": 8.016298521875282,
"formula_full": "In2 O2 F2",
"formula_reduced": "InOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0155066666666665,
"spacegroup": 59
},
{
"id": "jvasp-119915",
"created_at": "2022-09-04T14:38:51.994514Z",
"updated_at": "2022-09-04T14:38:51.994550Z",
"structure_string": "B1 H2 O2\n1.0\n2.486094 0.000000 -0.000000\n-1.243047 2.153021 0.000000\n0.000000 0.000000 5.507699\nB H O\n1 2 2\ndirect\n0.000000 0.000000 0.000000 B\n0.333332 0.666668 0.631904 H\n0.666665 0.333334 0.368095 H\n0.333332 0.666668 0.843321 O\n0.666665 0.333334 0.156679 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"B",
"H",
"O"
],
"chemical_system": "B-H-O",
"density": 2.524875539375048,
"density_atomic": 0.1696031817571093,
"volume": 29.48057900918721,
"volume_molar": 3.5507239295925346,
"formula_full": "B1 H2 O2",
"formula_reduced": "B(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.966157916666667,
"spacegroup": 164
},
{
"id": "jvasp-117949",
"created_at": "2022-09-04T14:38:51.999378Z",
"updated_at": "2022-09-04T14:38:51.999394Z",
"structure_string": "C1 S2\n1.0\n4.491711 0.000000 -0.000000\n-2.245856 3.889936 0.000000\n-0.000000 0.000000 2.395729\nC S\n1 2\ndirect\n0.000000 0.000000 0.000000 C\n0.333333 0.666668 0.000000 S\n0.666666 0.333334 0.000000 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"C",
"S"
],
"chemical_system": "C-S",
"density": 3.020466413833721,
"density_atomic": 0.07166866305896206,
"volume": 41.859299056993564,
"volume_molar": 8.40275303453835,
"formula_full": "C1 S2",
"formula_reduced": "CS2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.594106666666667,
"spacegroup": 191
}
]
}