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=-structure_string&page=4463",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=4461",
"results": [
{
"id": "jvasp-19914",
"created_at": "2022-09-04T14:36:46.798168Z",
"updated_at": "2022-09-04T14:36:46.798193Z",
"structure_string": "Ba1 B6\n1.0\n4.276230 0.000000 -0.000000\n0.000000 4.276230 0.000000\n0.000000 0.000000 4.276230\nBa B\n1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.205282 0.500000 0.500000 B\n0.500000 0.500000 0.794718 B\n0.500000 0.500000 0.205282 B\n0.500000 0.205282 0.500000 B\n0.500000 0.794718 0.500000 B\n0.794718 0.500000 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ba",
"B"
],
"chemical_system": "B-Ba",
"density": 4.293703445123679,
"density_atomic": 0.08951892783636042,
"volume": 78.19575333605336,
"volume_molar": 6.727226191770756,
"formula_full": "Ba1 B6",
"formula_reduced": "BaB6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.272965924285714,
"spacegroup": 221
},
{
"id": "jvasp-15788",
"created_at": "2022-09-04T14:36:32.263482Z",
"updated_at": "2022-09-04T14:36:32.263504Z",
"structure_string": "Ba1 B2 Rh2\n1.0\n3.731442 0.000000 -1.226402\n-0.403079 3.709608 -1.226402\n0.021194 0.023621 6.354314\nBa B Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.681271 0.681272 0.362542 B\n0.318727 0.318728 0.637457 B\n0.249999 0.750000 0.500000 Rh\n0.749999 0.250000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"B",
"Rh"
],
"chemical_system": "B-Ba-Rh",
"density": 6.8693676631526355,
"density_atomic": 0.056706189020168656,
"volume": 88.17379701220361,
"volume_molar": 10.619900339023152,
"formula_full": "Ba1 B2 Rh2",
"formula_reduced": "Ba(BRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.9873654273333337,
"spacegroup": 139
},
{
"id": "jvasp-117462",
"created_at": "2022-09-04T14:38:51.164104Z",
"updated_at": "2022-09-04T14:38:51.164125Z",
"structure_string": "Ba1 B2 P2\n1.0\n-1.979975 1.979975 5.292578\n1.979975 -1.979975 5.292578\n1.979975 1.979975 -5.292578\nBa B P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.749998 0.250000 0.499998 B\n0.250000 0.749998 0.499998 B\n0.680220 0.680220 0.000000 P\n0.319780 0.319780 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"B",
"P"
],
"chemical_system": "B-Ba-P",
"density": 4.419684898605862,
"density_atomic": 0.06024532233800278,
"volume": 82.99399531714344,
"volume_molar": 9.996030440692374,
"formula_full": "Ba1 B2 P2",
"formula_reduced": "Ba(BP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.110562427333334,
"spacegroup": 139
},
{
"id": "jvasp-16716",
"created_at": "2022-09-04T14:38:33.153778Z",
"updated_at": "2022-09-04T14:38:33.153802Z",
"structure_string": "Ba1 B2 Ir2\n1.0\n3.764678 -0.000000 -1.227682\n-0.400354 3.743330 -1.227682\n-0.002998 -0.003336 6.376823\nBa B Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.680610 0.680609 0.361219 B\n0.319391 0.319390 0.638782 B\n0.750000 0.249999 0.500000 Ir\n0.250001 0.750000 0.500000 Ir\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"B",
"Ir"
],
"chemical_system": "B-Ba-Ir",
"density": 10.044165917474869,
"density_atomic": 0.0556581462731916,
"volume": 89.83410937651563,
"volume_molar": 10.819873034292259,
"formula_full": "Ba1 B2 Ir2",
"formula_reduced": "Ba(BIr)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.722424667333334,
"spacegroup": 139
},
{
"id": "jvasp-85923",
"created_at": "2022-09-04T14:35:53.226864Z",
"updated_at": "2022-09-04T14:35:53.226894Z",
"structure_string": "Ba1 B2 F8\n1.0\n4.454355 -0.001198 -1.643140\n-0.691720 4.636728 -1.878542\n0.022918 0.003778 6.791186\nBa B F\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.285934 0.347380 0.694725 B\n0.714065 0.652620 0.305276 B\n0.464870 0.614725 0.769283 F\n0.857180 0.771522 0.543090 F\n0.464892 0.154607 0.769246 F\n0.063190 0.399293 0.798587 F\n0.535107 0.845393 0.230755 F\n0.535130 0.385276 0.230718 F\n0.142820 0.228479 0.456911 F\n0.936809 0.600708 0.201414 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"B",
"F"
],
"chemical_system": "B-Ba-F",
"density": 3.675735574160319,
"density_atomic": 0.07830987427719253,
"volume": 140.46759877385873,
"volume_molar": 7.690142291230733,
"formula_full": "Ba1 B2 F8",
"formula_reduced": "BaB2F8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.5225593996969697,
"spacegroup": 12
},
{
"id": "jvasp-86522",
"created_at": "2022-09-04T14:35:41.932216Z",
"updated_at": "2022-09-04T14:35:41.932245Z",
"structure_string": "Ba1 B2 F8\n1.0\n4.453919 -0.001195 -1.643304\n-0.691604 4.636749 -1.878605\n0.022777 0.003805 6.791533\nBa B F\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.285841 0.347379 0.694731 B\n0.714160 0.652619 0.305268 B\n0.464768 0.614749 0.769360 F\n0.857106 0.771532 0.543095 F\n0.464807 0.154639 0.769322 F\n0.062952 0.399237 0.798453 F\n0.535195 0.845359 0.230677 F\n0.535234 0.385249 0.230639 F\n0.142896 0.228466 0.456904 F\n0.937050 0.600761 0.201546 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"B",
"F"
],
"chemical_system": "B-Ba-F",
"density": 3.6759113097205587,
"density_atomic": 0.0783136182433595,
"volume": 140.46088339090028,
"volume_molar": 7.689774645944978,
"formula_full": "Ba1 B2 F8",
"formula_reduced": "BaB2F8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.5225357633333334,
"spacegroup": 12
},
{
"id": "jvasp-63291",
"created_at": "2022-09-04T14:36:07.744679Z",
"updated_at": "2022-09-04T14:36:07.744700Z",
"structure_string": "Ba1 B2 F8\n1.0\n2.525105 6.304212 -0.021792\n-2.525105 6.304212 -0.021792\n0.000000 1.771240 4.407457\nBa B F\n1 2 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.652631 0.652631 0.286073 B\n0.347369 0.347369 0.713929 B\n0.600654 0.600654 0.063552 F\n0.399345 0.399345 0.936449 F\n0.771547 0.771547 0.142764 F\n0.228452 0.228452 0.857238 F\n0.385342 0.845432 0.464992 F\n0.154567 0.614657 0.535009 F\n0.614657 0.154567 0.535009 F\n0.845432 0.385342 0.464992 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"B",
"F"
],
"chemical_system": "B-Ba-F",
"density": 3.6744234040839263,
"density_atomic": 0.07828191909063478,
"volume": 140.51776103322408,
"volume_molar": 7.692888511110168,
"formula_full": "Ba1 B2 F8",
"formula_reduced": "BaB2F8",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.5225457633333335,
"spacegroup": 12
},
{
"id": "jvasp-115272",
"created_at": "2022-09-04T14:38:44.562073Z",
"updated_at": "2022-09-04T14:38:44.562098Z",
"structure_string": "Ba1 B2 As2\n1.0\n-2.094467 2.094467 5.335268\n2.094467 -2.094467 5.335268\n2.094467 2.094467 -5.335268\nBa B As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750002 0.250000 0.500002 B\n0.250000 0.750002 0.500002 B\n0.325757 0.325757 0.000000 As\n0.674242 0.674242 0.000000 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"B",
"As"
],
"chemical_system": "As-B-Ba",
"density": 5.477118584663278,
"density_atomic": 0.05340805092786152,
"volume": 93.61884422169835,
"volume_molar": 11.275717153831604,
"formula_full": "Ba1 B2 As2",
"formula_reduced": "Ba(BAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.8669529273333336,
"spacegroup": 139
},
{
"id": "jvasp-117466",
"created_at": "2022-09-04T14:38:35.006437Z",
"updated_at": "2022-09-04T14:38:35.006460Z",
"structure_string": "Ba1 B1 Se2\n1.0\n4.081299 0.000000 0.000000\n0.000000 4.081299 0.000000\n0.000000 0.000000 6.630532\nBa B Se\n1 1 2\ndirect\n0.500000 0.500000 0.556728 Ba\n0.000000 0.000000 0.063157 B\n0.000000 0.000000 0.367253 Se\n0.500000 0.500000 0.022862 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"B",
"Se"
],
"chemical_system": "B-Ba-Se",
"density": 4.601586947305509,
"density_atomic": 0.03621719324523972,
"volume": 110.44478165148118,
"volume_molar": 16.627850532817124,
"formula_full": "Ba1 B1 Se2",
"formula_reduced": "BaBSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.700916321666667,
"spacegroup": 99
},
{
"id": "jvasp-117465",
"created_at": "2022-09-04T14:38:51.116815Z",
"updated_at": "2022-09-04T14:38:51.116836Z",
"structure_string": "Ba1 B1 Se1\n1.0\n4.447402 0.000000 0.000000\n0.000000 4.447402 -0.000000\n0.000000 0.000000 7.976105\nBa B Se\n1 1 1\ndirect\n0.000000 0.000000 0.624524 Ba\n0.000000 0.000000 0.252045 B\n0.000000 0.000000 0.025533 Se\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"B",
"Se"
],
"chemical_system": "B-Ba-Se",
"density": 2.390334998728657,
"density_atomic": 0.019015932105354922,
"volume": 157.76244800301924,
"volume_molar": 31.668922283878757,
"formula_full": "Ba1 B1 Se1",
"formula_reduced": "BaBSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8408173066666669,
"spacegroup": 99
},
{
"id": "jvasp-117464",
"created_at": "2022-09-04T14:38:51.109484Z",
"updated_at": "2022-09-04T14:38:51.109510Z",
"structure_string": "Ba1 B1 P1\n1.0\n7.515934 0.000000 0.000000\n-0.000000 7.515934 -0.000000\n0.000000 0.000000 7.625147\nBa B P\n1 1 1\ndirect\n0.000000 0.000000 0.630843 Ba\n0.000000 0.000000 0.250760 B\n0.000000 0.000000 0.023242 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"B",
"P"
],
"chemical_system": "B-Ba-P",
"density": 0.6904926620479781,
"density_atomic": 0.006964775444569131,
"volume": 430.7389411010066,
"volume_molar": 86.46568447078704,
"formula_full": "Ba1 B1 P1",
"formula_reduced": "BaBP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.468578017777778,
"spacegroup": 99
},
{
"id": "jvasp-117463",
"created_at": "2022-09-04T14:38:34.919379Z",
"updated_at": "2022-09-04T14:38:34.919407Z",
"structure_string": "Ba1 B1 P1\n1.0\n4.828432 -0.180116 0.000000\n-1.053564 5.264021 0.000000\n0.000000 0.000000 5.352585\nBa B P\n1 1 1\ndirect\n-0.239316 -0.208300 0.000000 Ba\n0.358835 0.158205 0.000000 B\n0.152508 0.385631 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"B",
"P"
],
"chemical_system": "B-Ba-P",
"density": 2.2026247598360897,
"density_atomic": 0.02221716128800865,
"volume": 135.0307521789114,
"volume_molar": 27.105806551669374,
"formula_full": "Ba1 B1 P1",
"formula_reduced": "BaBP",
"formula_anonymous": "ABC",
"energy_above_hull": 2.201838017777778,
"spacegroup": 6
}
]
}