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=4083",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4081",
"results": [
{
"id": "jvasp-85984",
"created_at": "2022-09-04T14:35:57.800987Z",
"updated_at": "2022-09-04T14:35:57.801009Z",
"structure_string": "Sr6 Cu3 Cl3 O6\n1.0\n4.016601 0.000000 0.000000\n-2.008302 3.478480 -0.000000\n0.000000 -0.000000 27.634953\nSr Cu Cl O\n6 3 3 6\ndirect\n0.333078 0.999623 0.576606 Sr\n0.666544 0.666922 0.243273 Sr\n0.333456 0.000377 0.090061 Sr\n0.666923 0.666544 0.756727 Sr\n0.999622 0.333078 0.423394 Sr\n0.000378 0.333456 0.909939 Sr\n0.666869 0.666869 -0.000000 Cu\n0.333131 -0.000000 0.333333 Cu\n0.000000 0.333131 0.666667 Cu\n0.000000 0.333651 0.166667 Cl\n0.666349 0.666349 0.500000 Cl\n0.333651 -0.000000 0.833333 Cl\n0.666778 0.667024 0.065819 O\n0.999753 0.332976 0.600847 O\n0.667024 0.666777 0.934181 O\n0.332976 0.999753 0.399153 O\n0.000247 0.333223 0.732486 O\n0.333222 0.000247 0.267514 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"Cl",
"O"
],
"chemical_system": "Cl-Cu-O-Sr",
"density": 3.9511381540610433,
"density_atomic": 0.04661928109629504,
"volume": 386.10634005316115,
"volume_molar": 12.91770404515868,
"formula_full": "Sr6 Cu3 Cl3 O6",
"formula_reduced": "Sr2CuClO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.2299490229166668,
"spacegroup": 166
},
{
"id": "jvasp-8599",
"created_at": "2022-09-04T14:37:04.627772Z",
"updated_at": "2022-09-04T14:37:04.627797Z",
"structure_string": "Ga2 H2 O4\n1.0\n2.995712 0.000000 0.000000\n0.000000 4.371407 0.000000\n0.000000 0.000000 4.964285\nGa H O\n2 2 4\ndirect\n0.500000 0.224421 0.501740 Ga\n0.000000 0.775580 0.001740 Ga\n0.500000 0.304527 0.017917 H\n0.000000 0.695474 0.517917 H\n0.000000 0.504790 0.642132 O\n0.500000 0.495211 0.142131 O\n0.000000 0.990300 0.351513 O\n0.500000 0.009700 0.851513 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"H",
"O"
],
"chemical_system": "Ga-H-O",
"density": 5.2480416515487995,
"density_atomic": 0.12305860231279303,
"volume": 65.00967709405171,
"volume_molar": 4.89371782778159,
"formula_full": "Ga2 H2 O4",
"formula_reduced": "GaHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.32414233125,
"spacegroup": 31
},
{
"id": "jvasp-85998",
"created_at": "2022-09-04T14:36:04.227753Z",
"updated_at": "2022-09-04T14:36:04.227780Z",
"structure_string": "Au2 C2 Cl2 O2\n1.0\n3.777337 -0.000000 -0.936399\n-0.000000 5.363890 -0.000000\n0.053040 0.000000 8.300848\nAu C Cl O\n2 2 2 2\ndirect\n0.762193 0.250000 0.524384 Au\n0.237808 0.750000 0.475616 Au\n0.880665 0.250000 0.761328 C\n0.119336 0.750000 0.238672 C\n0.378786 0.750000 0.757572 Cl\n0.621215 0.250000 0.242428 Cl\n0.951441 0.250000 0.902882 O\n0.048560 0.750000 0.097118 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Au",
"C",
"Cl",
"O"
],
"chemical_system": "Au-C-Cl-O",
"density": 5.134452200260955,
"density_atomic": 0.047491353815219274,
"volume": 168.45171504536657,
"volume_molar": 12.680499240832589,
"formula_full": "Au2 C2 Cl2 O2",
"formula_reduced": "AuCClO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.1263437843749995,
"spacegroup": 63
},
{
"id": "jvasp-8600",
"created_at": "2022-09-04T14:37:04.114847Z",
"updated_at": "2022-09-04T14:37:04.114872Z",
"structure_string": "Na2 H2 O2\n1.0\n3.393980 0.000000 -0.000000\n-0.000000 3.260361 -0.974886\n0.000000 -0.042406 5.797516\nNa H O\n2 2 2\ndirect\n0.250000 0.660996 0.321992 Na\n0.750000 0.339003 0.678008 Na\n0.250000 0.957053 0.914109 H\n0.750000 0.042945 0.085891 H\n0.750000 0.130914 0.261827 O\n0.250000 0.869085 0.738173 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"H",
"O"
],
"chemical_system": "H-Na-O",
"density": 2.0751126116766643,
"density_atomic": 0.09373142561781646,
"volume": 64.01268262433769,
"volume_molar": 6.424889753149461,
"formula_full": "Na2 H2 O2",
"formula_reduced": "NaHO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7925608333333336,
"spacegroup": 63
},
{
"id": "jvasp-86007",
"created_at": "2022-09-04T14:36:08.342159Z",
"updated_at": "2022-09-04T14:36:08.342185Z",
"structure_string": "Co4 Ge2 O8\n1.0\n5.101293 -0.063813 2.960487\n1.748715 4.788934 2.966626\n-0.013266 -0.016563 5.898306\nCo Ge O\n4 2 8\ndirect\n0.499997 0.000003 0.500001 Co\n0.000002 0.499998 0.500001 Co\n0.499999 0.499999 0.500003 Co\n0.500000 0.500001 0.999997 Co\n0.874996 0.875000 0.875001 Ge\n0.125002 0.124998 0.125004 Ge\n0.250011 0.250000 0.250025 O\n0.250045 0.749975 0.749997 O\n0.750003 0.749985 0.250044 O\n0.749953 0.250028 0.250003 O\n0.749969 0.250044 0.749989 O\n0.250033 0.749955 0.250011 O\n0.249996 0.250015 0.749962 O\n0.749989 0.750002 0.749973 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Co",
"Ge",
"O"
],
"chemical_system": "Co-Ge-O",
"density": 5.824822774010698,
"density_atomic": 0.09647994855203562,
"volume": 145.1078717403049,
"volume_molar": 6.241857350029587,
"formula_full": "Co4 Ge2 O8",
"formula_reduced": "Co2GeO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.5973145357142857,
"spacegroup": 227
},
{
"id": "jvasp-86009",
"created_at": "2022-09-04T14:36:12.673352Z",
"updated_at": "2022-09-04T14:36:12.673370Z",
"structure_string": "Ba2 Co1 Mo1 O6\n1.0\n4.965769 -0.001794 2.866999\n1.656940 4.681089 2.866986\n-0.000063 -0.000188 5.733930\nBa Co Mo O\n2 1 1 6\ndirect\n0.750002 0.750000 0.750000 Ba\n0.249999 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Mo\n0.740610 0.259385 0.740507 O\n0.740502 0.259487 0.259388 O\n0.259441 0.259467 0.740551 O\n0.259498 0.740513 0.740613 O\n0.740560 0.740533 0.259449 O\n0.259391 0.740616 0.259494 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Co",
"Mo",
"O"
],
"chemical_system": "Ba-Co-Mo-O",
"density": 6.546232413540749,
"density_atomic": 0.07501534361295507,
"volume": 133.30606137852857,
"volume_molar": 8.027878657826987,
"formula_full": "Ba2 Co1 Mo1 O6",
"formula_reduced": "Ba2CoMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.540799974,
"spacegroup": 225
},
{
"id": "jvasp-8601",
"created_at": "2022-09-04T14:37:04.878266Z",
"updated_at": "2022-09-04T14:37:04.878284Z",
"structure_string": "Na2 H2 O2\n1.0\n0.000000 3.400030 0.068506\n3.397076 0.000000 0.000000\n0.000000 -1.472798 -5.563342\nNa H O\n2 2 2\ndirect\n0.330691 0.750001 0.178471 Na\n0.669308 0.250000 0.821528 Na\n0.033467 0.750001 0.586172 H\n0.966532 0.250000 0.413827 H\n0.852782 0.250000 0.238688 O\n0.147217 0.750001 0.761311 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Na",
"H",
"O"
],
"chemical_system": "H-Na-O",
"density": 2.078292429246051,
"density_atomic": 0.09387505581518796,
"volume": 63.91474229120262,
"volume_molar": 6.4150595786124525,
"formula_full": "Na2 H2 O2",
"formula_reduced": "NaHO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7925608333333336,
"spacegroup": 11
},
{
"id": "jvasp-86013",
"created_at": "2022-09-04T14:36:17.686144Z",
"updated_at": "2022-09-04T14:36:17.686160Z",
"structure_string": "Rb3 Cu8 S6\n1.0\n3.902618 0.000000 0.000000\n-1.951309 8.610497 -2.401397\n0.000000 -0.152113 9.897653\nRb Cu S\n3 8 6\ndirect\n0.309520 0.619040 0.697992 Rb\n0.690480 0.380961 0.302008 Rb\n0.500000 0.000000 0.000000 Rb\n0.480462 0.960926 0.358116 Cu\n0.905470 0.810940 0.201755 Cu\n0.696196 0.392390 0.909509 Cu\n0.093133 0.186265 0.537039 Cu\n0.094530 0.189060 0.798244 Cu\n0.906868 0.813735 0.462960 Cu\n0.519538 0.039075 0.641883 Cu\n0.303805 0.607611 0.090491 Cu\n0.345995 0.691990 0.352412 S\n0.654006 0.308011 0.647587 S\n0.836175 0.672351 0.977785 S\n0.038201 0.076401 0.299045 S\n0.961800 0.923599 0.700955 S\n0.163825 0.327650 0.022214 S\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"S"
],
"chemical_system": "Cu-Rb-S",
"density": 4.799359136135473,
"density_atomic": 0.05133314787401518,
"volume": 331.17002763443213,
"volume_molar": 11.731485422986117,
"formula_full": "Rb3 Cu8 S6",
"formula_reduced": "Rb3(Cu4S3)2",
"formula_anonymous": "A3B6C8",
"energy_above_hull": 0.3477890352941175,
"spacegroup": 12
},
{
"id": "jvasp-86014",
"created_at": "2022-09-04T14:36:20.528861Z",
"updated_at": "2022-09-04T14:36:20.528894Z",
"structure_string": "K2 Eu2 Si2 S8\n1.0\n6.140417 0.000000 -1.971804\n0.000000 6.612869 0.000000\n-0.016940 0.000000 8.534699\nK Eu Si S\n2 2 2 8\ndirect\n0.772367 0.693698 0.065778 K\n0.227633 0.193698 0.934223 K\n0.270653 0.210641 0.448845 Eu\n0.729348 0.710641 0.551156 Eu\n0.282882 0.677881 0.681721 Si\n0.717118 0.177881 0.318279 Si\n0.914360 0.129333 0.567664 S\n0.087218 0.677740 0.839367 S\n0.477582 0.942533 0.272040 S\n0.518768 0.443743 0.288522 S\n0.085641 0.629333 0.432336 S\n0.481232 0.943743 0.711478 S\n0.912783 0.177740 0.160634 S\n0.522418 0.442533 0.727960 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Eu",
"Si",
"S"
],
"chemical_system": "Eu-K-S-Si",
"density": 3.331344593507054,
"density_atomic": 0.04042303669741491,
"volume": 346.33716671996865,
"volume_molar": 14.897794060051705,
"formula_full": "K2 Eu2 Si2 S8",
"formula_reduced": "KEuSiS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.6214938,
"spacegroup": 4
},
{
"id": "jvasp-86016",
"created_at": "2022-09-04T14:35:43.244365Z",
"updated_at": "2022-09-04T14:35:43.244390Z",
"structure_string": "Fe2 W2 Cl2 O8\n1.0\n5.350077 0.000000 -0.000000\n0.000000 6.730416 -0.000000\n0.000000 0.000000 6.730416\nFe W Cl O\n2 2 2 8\ndirect\n0.281944 0.250000 0.250000 Fe\n0.718056 0.750000 0.750000 Fe\n0.000000 0.250000 0.750000 W\n0.000000 0.750000 0.250000 W\n0.305135 0.750000 0.750000 Cl\n0.694865 0.250000 0.250000 Cl\n0.198499 0.250000 0.534623 O\n0.198499 0.965378 0.250000 O\n0.801501 0.034622 0.750000 O\n0.801501 0.465378 0.750000 O\n0.801501 0.750000 0.465378 O\n0.198499 0.534623 0.250000 O\n0.198499 0.250000 0.965378 O\n0.801501 0.750000 0.034622 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Fe",
"W",
"Cl",
"O"
],
"chemical_system": "Cl-Fe-O-W",
"density": 4.647384713400483,
"density_atomic": 0.05776758159199219,
"volume": 242.3504604863136,
"volume_molar": 10.424775616424276,
"formula_full": "Fe2 W2 Cl2 O8",
"formula_reduced": "FeWClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 3.190234795357142,
"spacegroup": 129
},
{
"id": "jvasp-86017",
"created_at": "2022-09-04T14:35:50.952319Z",
"updated_at": "2022-09-04T14:35:50.952354Z",
"structure_string": "Li2 U1 Mo2 O10\n1.0\n5.244928 0.015195 -1.003132\n-1.761253 5.227936 -1.829808\n-0.033263 -0.011169 8.278357\nLi U Mo O\n2 1 2 10\ndirect\n0.480377 0.215807 0.423927 Li\n0.519625 0.784195 0.576074 Li\n0.000000 0.000000 0.000000 U\n0.913707 0.656268 0.303489 Mo\n0.086295 0.343733 0.696512 Mo\n0.783310 0.126183 0.540482 O\n0.784690 0.793901 0.150625 O\n0.683106 0.947846 0.836736 O\n0.980963 0.375823 0.177479 O\n0.314683 0.431824 0.583398 O\n0.019039 0.624179 0.822522 O\n0.215312 0.206100 0.849376 O\n0.685319 0.568177 0.416603 O\n0.216692 0.873818 0.459519 O\n0.316896 0.052155 0.163265 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"U",
"Mo",
"O"
],
"chemical_system": "Li-Mo-O-U",
"density": 4.418434047566701,
"density_atomic": 0.06610408278277073,
"volume": 226.91487981601006,
"volume_molar": 9.110088978603303,
"formula_full": "Li2 U1 Mo2 O10",
"formula_reduced": "Li2U(MoO5)2",
"formula_anonymous": "AB2C2D10",
"energy_above_hull": 3.429262853333334,
"spacegroup": 2
},
{
"id": "jvasp-8602",
"created_at": "2022-09-04T14:37:04.926112Z",
"updated_at": "2022-09-04T14:37:04.926137Z",
"structure_string": "Rb1 Ca1 H3\n1.0\n4.508029 -0.000000 0.000000\n0.000000 4.508029 0.000000\n0.000000 -0.000000 4.508029\nRb Ca H\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 H\n0.500000 0.500000 0.000000 H\n0.000000 0.500000 0.500000 H\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Ca",
"H"
],
"chemical_system": "Ca-H-Rb",
"density": 2.3303832722476763,
"density_atomic": 0.05457703030885027,
"volume": 91.61363254294169,
"volume_molar": 11.034203814170233,
"formula_full": "Rb1 Ca1 H3",
"formula_reduced": "RbCaH3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.248348084,
"spacegroup": 221
}
]
}