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=3888",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=3886",
"results": [
{
"id": "jvasp-118044",
"created_at": "2022-09-04T14:38:30.905393Z",
"updated_at": "2022-09-04T14:38:30.905410Z",
"structure_string": "H1 Pb1 Cl2\n1.0\n4.234162 -0.000000 -0.000000\n0.000000 4.234162 -0.000000\n0.000000 0.000000 5.575108\nH Pb Cl\n1 1 2\ndirect\n0.500000 0.500000 0.503248 H\n0.000000 0.000000 0.002346 Pb\n0.000000 0.000000 0.501510 Cl\n0.500000 0.500000 0.002896 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"H",
"Pb",
"Cl"
],
"chemical_system": "Cl-H-Pb",
"density": 4.637056627435775,
"density_atomic": 0.040019509927966206,
"volume": 99.95124895831728,
"volume_molar": 15.048012259119751,
"formula_full": "H1 Pb1 Cl2",
"formula_reduced": "HPbCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.7046297387499998,
"spacegroup": 123
},
{
"id": "jvasp-10839",
"created_at": "2022-09-04T14:38:30.908613Z",
"updated_at": "2022-09-04T14:38:30.908631Z",
"structure_string": "Y2 Mn2 O6\n1.0\n1.797484 -3.113334 -0.000000\n1.797484 3.113334 0.000000\n0.000000 0.000000 11.308244\nY Mn O\n2 2 6\ndirect\n0.000000 0.000000 0.500000 Y\n0.000000 0.000000 0.000000 Y\n0.666666 0.333332 0.750000 Mn\n0.333332 0.666666 0.250000 Mn\n0.333332 0.666666 0.415570 O\n0.666666 0.333332 0.915570 O\n0.666666 0.333332 0.584429 O\n0.333332 0.666666 0.084429 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Mn",
"O"
],
"chemical_system": "Mn-O-Y",
"density": 5.033929017895345,
"density_atomic": 0.07901036821999508,
"volume": 126.5656675862613,
"volume_molar": 7.621962655878351,
"formula_full": "Y2 Mn2 O6",
"formula_reduced": "YMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.4919546382758617,
"spacegroup": 194
},
{
"id": "jvasp-118045",
"created_at": "2022-09-04T14:38:30.913782Z",
"updated_at": "2022-09-04T14:38:30.913806Z",
"structure_string": "H2 Pb2 Cl2\n1.0\n5.825273 0.000000 0.321993\n0.000000 4.266725 0.000000\n-2.316913 0.000000 5.422031\nH Pb Cl\n2 2 2\ndirect\n0.547497 0.250000 0.624394 H\n0.452503 0.750001 0.375605 H\n0.662698 0.750001 0.756405 Pb\n0.337302 0.250000 0.243595 Pb\n0.197005 0.750001 0.792537 Cl\n0.802995 0.250000 0.207462 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"H",
"Pb",
"Cl"
],
"chemical_system": "Cl-H-Pb",
"density": 5.866152650539335,
"density_atomic": 0.04349502672862112,
"volume": 137.946805675873,
"volume_molar": 13.845584686207902,
"formula_full": "H2 Pb2 Cl2",
"formula_reduced": "HPbCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7262849625000002,
"spacegroup": 11
},
{
"id": "jvasp-57104",
"created_at": "2022-09-04T14:38:30.916274Z",
"updated_at": "2022-09-04T14:38:30.916302Z",
"structure_string": "Zn8 S8\n1.0\n1.920358 -3.326157 0.000000\n1.920358 3.326157 -0.000000\n0.000000 0.000000 25.128044\nZn S\n8 8\ndirect\n0.666668 0.333334 0.750035 Zn\n0.666668 0.333334 0.124941 Zn\n0.000000 0.000000 0.000061 Zn\n0.333334 0.666668 0.875212 Zn\n0.333334 0.666668 0.250035 Zn\n0.666668 0.333334 0.375212 Zn\n0.000000 0.000000 0.500061 Zn\n0.333334 0.666668 0.624941 Zn\n0.000000 0.000000 0.593699 S\n0.333334 0.666668 0.968816 S\n0.666668 0.333334 0.218567 S\n0.333334 0.666668 0.343868 S\n0.666668 0.333334 0.843868 S\n0.666668 0.333334 0.468816 S\n0.333334 0.666668 0.718567 S\n0.000000 0.000000 0.093699 S\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Zn",
"S"
],
"chemical_system": "S-Zn",
"density": 4.033798959181326,
"density_atomic": 0.04984325079123925,
"volume": 321.0063498268507,
"volume_molar": 12.082158896944353,
"formula_full": "Zn8 S8",
"formula_reduced": "ZnS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0003699999999999,
"spacegroup": 186
},
{
"id": "jvasp-12820",
"created_at": "2022-09-04T14:38:30.916998Z",
"updated_at": "2022-09-04T14:38:30.917026Z",
"structure_string": "Na12 Tl4 O8\n1.0\n5.332024 -0.000000 0.000000\n0.000000 6.756714 0.000000\n0.000000 0.000000 11.548850\nNa Tl O\n12 4 8\ndirect\n0.744626 0.002067 0.333418 Na\n0.744626 0.497933 0.333418 Na\n0.755373 0.497933 0.833418 Na\n0.255374 0.502066 0.666582 Na\n0.750563 0.250000 0.576283 Na\n0.250563 0.750000 0.923717 Na\n0.244626 0.997933 0.166582 Na\n0.749436 0.250000 0.076283 Na\n0.255374 0.997933 0.666582 Na\n0.755373 0.002067 0.833418 Na\n0.244626 0.502066 0.166582 Na\n0.249436 0.750000 0.423717 Na\n0.252830 0.250000 0.409028 Tl\n0.752830 0.750000 0.090972 Tl\n0.747169 0.750000 0.590972 Tl\n0.247169 0.250000 0.909028 Tl\n0.500000 0.000000 0.500000 O\n0.492425 0.750000 0.759487 O\n0.992424 0.250000 0.740513 O\n0.507575 0.250000 0.240513 O\n0.007575 0.750000 0.259487 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Tl",
"O"
],
"chemical_system": "Na-O-Tl",
"density": 4.874641066641333,
"density_atomic": 0.05768260551132105,
"volume": 416.06997096013026,
"volume_molar": 10.440133046379238,
"formula_full": "Na12 Tl4 O8",
"formula_reduced": "Na3TlO2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1932035833333335,
"spacegroup": 62
},
{
"id": "jvasp-22451",
"created_at": "2022-09-04T14:38:30.917652Z",
"updated_at": "2022-09-04T14:38:30.917673Z",
"structure_string": "Y8 B16 C8\n1.0\n6.792251 0.000000 -0.000000\n0.000000 6.792251 0.000000\n-0.000000 0.000000 7.489181\nY B C\n8 16 8\ndirect\n0.309278 0.809277 0.750000 Y\n0.190722 0.309278 0.250000 Y\n0.809277 0.690722 0.250000 Y\n0.690722 0.190722 0.750000 Y\n0.690722 0.190722 0.250000 Y\n0.809277 0.690722 0.750000 Y\n0.190722 0.309278 0.750000 Y\n0.309278 0.809277 0.250000 Y\n0.905162 0.402994 0.500000 B\n0.094838 0.597006 0.500000 B\n0.902993 0.405162 0.000000 B\n0.402994 0.094838 0.000000 B\n0.597006 0.905162 0.000000 B\n0.594838 0.902993 0.500000 B\n0.405162 0.097006 0.500000 B\n0.097006 0.594838 0.000000 B\n0.465550 0.347840 0.500000 B\n0.965550 0.152160 0.500000 B\n0.034450 0.847840 0.500000 B\n0.652160 0.465550 0.000000 B\n0.347840 0.534450 0.000000 B\n0.847840 0.965550 0.000000 B\n0.534450 0.652160 0.500000 B\n0.152160 0.034450 0.000000 B\n0.177210 0.040678 0.500000 C\n0.677210 0.459322 0.500000 C\n0.322790 0.540678 0.500000 C\n0.959322 0.177210 0.000000 C\n0.040678 0.822790 0.000000 C\n0.540678 0.677210 0.000000 C\n0.822790 0.959322 0.500000 C\n0.459322 0.322790 0.000000 C\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Y",
"B",
"C"
],
"chemical_system": "B-C-Y",
"density": 4.7114006969881075,
"density_atomic": 0.09261646456181993,
"volume": 345.51092131832064,
"volume_molar": 6.502235632175661,
"formula_full": "Y8 B16 C8",
"formula_reduced": "YB2C",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.313177654166667,
"spacegroup": 135
},
{
"id": "jvasp-56672",
"created_at": "2022-09-04T14:38:30.919075Z",
"updated_at": "2022-09-04T14:38:30.919097Z",
"structure_string": "Y2 Mo2 Cl2 O8\n1.0\n6.094277 -0.002274 1.518874\n1.778964 5.828850 1.518874\n0.009334 0.006908 6.859892\nY Mo Cl O\n2 2 2 8\ndirect\n0.778352 0.778353 0.110256 Y\n0.221646 0.221648 0.889743 Y\n0.362654 0.362654 0.269265 Mo\n0.637345 0.637347 0.730734 Mo\n0.990215 0.990217 0.762517 Cl\n0.009784 0.009784 0.237482 Cl\n0.889515 0.509246 0.846258 O\n0.110483 0.490755 0.153740 O\n0.457696 0.457698 0.798704 O\n0.294801 0.294802 0.535285 O\n0.542302 0.542303 0.201295 O\n0.705198 0.705199 0.464714 O\n0.490754 0.110484 0.153740 O\n0.509244 0.889517 0.846259 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Y",
"Mo",
"Cl",
"O"
],
"chemical_system": "Cl-Mo-O-Y",
"density": 3.8762054723952177,
"density_atomic": 0.05747570356316166,
"volume": 243.58118530232534,
"volume_molar": 10.477715602701759,
"formula_full": "Y2 Mo2 Cl2 O8",
"formula_reduced": "YMoClO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.6526999167857146,
"spacegroup": 12
},
{
"id": "jvasp-116355",
"created_at": "2022-09-04T14:38:30.921371Z",
"updated_at": "2022-09-04T14:38:30.921392Z",
"structure_string": "Na1 Hg1\n1.0\n3.253618 0.000000 0.000000\n0.000000 3.253618 0.000000\n0.000000 0.000000 6.016929\nNa Hg\n1 1\ndirect\n0.000000 0.000000 0.749986 Na\n0.000000 0.000000 0.250014 Hg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 5.828725328165429,
"density_atomic": 0.031399445936238064,
"volume": 63.69539144293633,
"volume_molar": 19.179130651633105,
"formula_full": "Na1 Hg1",
"formula_reduced": "NaHg",
"formula_anonymous": "AB",
"energy_above_hull": 0.5224392857142858,
"spacegroup": 123
},
{
"id": "jvasp-21197",
"created_at": "2022-09-04T14:38:30.930663Z",
"updated_at": "2022-09-04T14:38:30.930690Z",
"structure_string": "Yb1\n1.0\n3.256203 -0.000000 1.879970\n1.085401 3.069978 1.879970\n0.000000 -0.000000 3.759940\nYb\n1\ndirect\n0.000000 0.000000 0.000000 Yb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Yb"
],
"chemical_system": "Yb",
"density": 7.6448321399671615,
"density_atomic": 0.026605556662831775,
"volume": 37.58613332819343,
"volume_molar": 22.63489855265081,
"formula_full": "Yb1",
"formula_reduced": "Yb",
"formula_anonymous": "A",
"energy_above_hull": 6.999999999646178e-07,
"spacegroup": 225
},
{
"id": "jvasp-19617",
"created_at": "2022-09-04T14:38:30.930785Z",
"updated_at": "2022-09-04T14:38:30.930801Z",
"structure_string": "Th2 Ir4\n1.0\n4.736192 -0.000000 2.734442\n1.578730 4.465325 2.734442\n0.000000 -0.000000 5.468884\nTh Ir\n2 4\ndirect\n0.875000 0.874999 0.874999 Th\n0.125000 0.125000 0.125000 Th\n0.500000 0.000000 0.500000 Ir\n0.000000 0.499999 0.500000 Ir\n0.500000 0.499999 0.500000 Ir\n0.500000 0.499999 -0.000000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Ir"
],
"chemical_system": "Ir-Th",
"density": 17.701554477900537,
"density_atomic": 0.05187643999968034,
"volume": 115.65944000854668,
"volume_molar": 11.608623799237398,
"formula_full": "Th2 Ir4",
"formula_reduced": "ThIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.4471792666666663,
"spacegroup": 227
},
{
"id": "jvasp-57665",
"created_at": "2022-09-04T14:38:30.932361Z",
"updated_at": "2022-09-04T14:38:30.932389Z",
"structure_string": "Be1 O1\n1.0\n2.229671 -0.000000 1.287301\n0.743224 2.102154 1.287301\n0.000000 0.000000 2.574602\nBe O\n1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.499999 0.499999 0.500000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Be",
"O"
],
"chemical_system": "Be-O",
"density": 3.4417145152106494,
"density_atomic": 0.165735132415825,
"volume": 12.067447443684141,
"volume_molar": 3.633593355988404,
"formula_full": "Be1 O1",
"formula_reduced": "BeO",
"formula_anonymous": "AB",
"energy_above_hull": 0.2470449999999999,
"spacegroup": 225
},
{
"id": "jvasp-17417",
"created_at": "2022-09-04T14:38:30.938221Z",
"updated_at": "2022-09-04T14:38:30.938248Z",
"structure_string": "Al1 Cr1 Fe2\n1.0\n3.464621 -0.000000 2.000300\n1.154874 3.266476 2.000300\n-0.000000 -0.000000 4.000599\nAl Cr Fe\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.499999 0.500001 0.500000 Cr\n0.250000 0.250000 0.250000 Fe\n0.749999 0.750001 0.750000 Fe\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"Cr",
"Fe"
],
"chemical_system": "Al-Cr-Fe",
"density": 6.993037518109487,
"density_atomic": 0.08834861877514175,
"volume": 45.27518432609002,
"volume_molar": 6.816338323666496,
"formula_full": "Al1 Cr1 Fe2",
"formula_reduced": "AlCrFe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.2813728,
"spacegroup": 225
}
]
}