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=energy_above_hull&page=3672",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=3670",
"results": [
{
"id": "jvasp-110230",
"created_at": "2022-09-04T14:38:17.974763Z",
"updated_at": "2022-09-04T14:38:17.974787Z",
"structure_string": "K2 C2 N2 O2\n1.0\n5.038527 -0.049771 -2.155973\n-2.188040 4.518588 -2.198249\n0.039464 0.049771 5.480275\nK C N O\n2 2 2 2\ndirect\n0.251539 -0.000000 0.251539 K\n0.751539 0.500000 0.251540 K\n0.498281 0.747740 0.746022 C\n0.998282 0.252261 0.750545 C\n0.357984 0.609002 0.466986 N\n0.857985 0.390998 0.748984 N\n0.642196 0.892008 0.034204 O\n0.142195 0.107993 0.750189 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"K",
"C",
"N",
"O"
],
"chemical_system": "C-K-N-O",
"density": 2.1491405651207387,
"density_atomic": 0.06382252873093004,
"volume": 125.34758742837141,
"volume_molar": 9.435760192750738,
"formula_full": "K2 C2 N2 O2",
"formula_reduced": "KCNO",
"formula_anonymous": "ABCD",
"energy_above_hull": 2.8881736874999997,
"spacegroup": 46
},
{
"id": "jvasp-16775",
"created_at": "2022-09-04T14:37:58.785698Z",
"updated_at": "2022-09-04T14:37:58.785718Z",
"structure_string": "Hf2 Be2 Si2\n1.0\n1.856562 -3.215659 0.000000\n1.856562 3.215659 0.000000\n0.000000 0.000000 7.153182\nHf Be Si\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.333332 0.666666 0.750000 Be\n0.666666 0.333332 0.250000 Be\n0.333332 0.666666 0.250000 Si\n0.666666 0.333332 0.750000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Be",
"Si"
],
"chemical_system": "Be-Hf-Si",
"density": 8.38290066582993,
"density_atomic": 0.07024938623929089,
"volume": 85.40999887973634,
"volume_molar": 8.572517259420243,
"formula_full": "Hf2 Be2 Si2",
"formula_reduced": "HfBeSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8882192333333334,
"spacegroup": 194
},
{
"id": "jvasp-109133",
"created_at": "2022-09-04T14:38:27.264470Z",
"updated_at": "2022-09-04T14:38:27.264491Z",
"structure_string": "V1 Ga2 Fe1 Co4\n1.0\n3.876943 0.000424 5.826903\n1.761664 3.453582 5.826903\n0.000693 0.000424 6.998821\nV Ga Fe Co\n1 2 1 4\ndirect\n0.499999 0.499998 0.500001 V\n0.250221 0.250221 0.250222 Ga\n0.749778 0.749776 0.749780 Ga\n0.000000 0.000000 0.000000 Fe\n0.624735 0.624734 0.624737 Co\n0.125552 0.125552 0.125553 Co\n0.874447 0.874445 0.874450 Co\n0.375264 0.375263 0.375265 Co\n",
"nsites": 8,
"nelements": 4,
"elements": [
"V",
"Ga",
"Fe",
"Co"
],
"chemical_system": "Co-Fe-Ga-V",
"density": 8.542674564833714,
"density_atomic": 0.0853923564188337,
"volume": 93.68520012214536,
"volume_molar": 7.0523182783041065,
"formula_full": "V1 Ga2 Fe1 Co4",
"formula_reduced": "VGa2FeCo4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.88832724375,
"spacegroup": 166
},
{
"id": "jvasp-48466",
"created_at": "2022-09-04T14:35:54.581189Z",
"updated_at": "2022-09-04T14:35:54.581209Z",
"structure_string": "Li1 Co5 O7 F1\n1.0\n-0.019108 4.028383 4.028383\n4.028383 -0.019108 4.028383\n4.028383 4.028383 -0.019108\nLi Co O F\n1 5 7 1\ndirect\n0.008629 0.008629 0.008629 Li\n0.245080 0.245080 0.245080 Co\n0.619331 0.619331 0.125579 Co\n0.619331 0.125579 0.619331 Co\n0.125579 0.619331 0.619331 Co\n0.625660 0.625660 0.625660 Co\n0.835904 0.387246 0.387246 O\n0.384470 0.384470 0.384470 O\n0.387246 0.835904 0.387246 O\n0.387246 0.387246 0.835904 O\n0.860601 0.860601 0.417319 O\n0.860601 0.417319 0.860601 O\n0.417319 0.860601 0.860601 O\n0.873000 0.873000 0.873000 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 5.455511665688896,
"density_atomic": 0.1063228792933876,
"volume": 131.67438742293996,
"volume_molar": 5.664012111055129,
"formula_full": "Li1 Co5 O7 F1",
"formula_reduced": "LiCo5O7F",
"formula_anonymous": "ABC5D7",
"energy_above_hull": 2.8883513773214284,
"spacegroup": 160
},
{
"id": "jvasp-85161",
"created_at": "2022-09-04T14:37:15.365717Z",
"updated_at": "2022-09-04T14:37:15.365739Z",
"structure_string": "La1 B1 Pt3\n1.0\n4.432704 0.000000 0.000000\n0.000000 4.432704 0.000000\n-0.000000 0.000000 4.432704\nLa B Pt\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"B",
"Pt"
],
"chemical_system": "B-La-Pt",
"density": 14.012370465063304,
"density_atomic": 0.05740686219576151,
"volume": 87.09760137994726,
"volume_molar": 10.490280307368254,
"formula_full": "La1 B1 Pt3",
"formula_reduced": "LaBPt3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.8884043566666664,
"spacegroup": 221
},
{
"id": "jvasp-45788",
"created_at": "2022-09-04T14:38:04.615925Z",
"updated_at": "2022-09-04T14:38:04.615948Z",
"structure_string": "Li1 V1 P2 O8\n1.0\n4.010601 2.580875 -0.366924\n0.000000 5.161751 0.000000\n-0.646220 0.000000 7.406714\nLi V P O\n1 1 2 8\ndirect\n0.568830 0.965585 0.412695 Li\n0.480744 0.009628 0.997247 V\n0.124378 0.687812 0.789985 P\n0.855669 0.322166 0.223815 P\n0.094436 0.202781 0.401475 O\n0.064793 0.217602 0.060521 O\n0.367152 0.327268 0.828287 O\n0.367152 0.805581 0.828287 O\n0.624214 0.193004 0.194266 O\n0.624214 0.682782 0.194266 O\n0.915884 0.792059 0.948242 O\n0.920888 0.789557 0.604290 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.705472022994968,
"density_atomic": 0.0788914046151238,
"volume": 152.1078254157431,
"volume_molar": 7.633456127925921,
"formula_full": "Li1 V1 P2 O8",
"formula_reduced": "LiV(PO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.888666933333333,
"spacegroup": 8
},
{
"id": "jvasp-36186",
"created_at": "2022-09-04T14:37:17.766043Z",
"updated_at": "2022-09-04T14:37:17.766054Z",
"structure_string": "Be1 Si1 P2\n1.0\n3.006182 3.006182 0.000000\n3.006182 0.000000 -3.006182\n0.000000 3.006182 -3.006182\nBe Si P\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.500000 Si\n0.250000 0.250000 0.250000 P\n0.750000 0.750000 0.750000 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"P"
],
"chemical_system": "Be-P-Si",
"density": 3.026960482539938,
"density_atomic": 0.07361802895180009,
"volume": 54.33451638074852,
"volume_molar": 8.180252644284833,
"formula_full": "Be1 Si1 P2",
"formula_reduced": "BeSiP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.888683925,
"spacegroup": 225
},
{
"id": "jvasp-10943",
"created_at": "2022-09-04T14:37:13.509236Z",
"updated_at": "2022-09-04T14:37:13.509262Z",
"structure_string": "Mn4 Cu3 O12\n1.0\n5.829910 0.000013 -2.061197\n-2.914940 5.048807 -2.061170\n-0.000013 0.000012 6.183553\nMn Cu O\n4 3 12\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.500001 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n0.500000 0.500001 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 -0.000000 0.500000 Cu\n0.183712 0.689938 0.873650 O\n0.493740 0.183693 0.310041 O\n0.689960 0.873655 0.183697 O\n0.816288 0.310062 0.126350 O\n0.689934 0.506219 0.816283 O\n0.873650 0.183709 0.689937 O\n0.183704 0.310053 0.493751 O\n0.816296 0.689947 0.506248 O\n0.126350 0.816292 0.310063 O\n0.506260 0.816307 0.689958 O\n0.310066 0.493783 0.183717 O\n0.310040 0.126346 0.816303 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-O",
"density": 5.495817852348886,
"density_atomic": 0.10439126043741541,
"volume": 182.0075734346638,
"volume_molar": 5.7688169821556965,
"formula_full": "Mn4 Cu3 O12",
"formula_reduced": "Mn4(CuO4)3",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 2.888770648185117,
"spacegroup": 204
},
{
"id": "jvasp-59597",
"created_at": "2022-09-04T14:37:10.781225Z",
"updated_at": "2022-09-04T14:37:10.781246Z",
"structure_string": "Al2 V4 O8\n1.0\n5.084932 -0.000740 2.798657\n1.653873 4.808455 2.798657\n-0.001038 -0.000740 5.804224\nAl V O\n2 4 8\ndirect\n0.623597 0.623597 0.623599 Al\n0.376402 0.376402 0.376403 Al\n-0.000000 0.500000 0.000001 V\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 V\n-0.000000 0.000000 0.500000 V\n0.252921 0.748269 0.748271 O\n0.251729 0.251730 0.747078 O\n0.251729 0.747077 0.251731 O\n0.248765 0.248765 0.248765 O\n0.748270 0.748269 0.252923 O\n0.747078 0.251730 0.251730 O\n0.748270 0.252922 0.748271 O\n0.751234 0.751234 0.751236 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"V",
"O"
],
"chemical_system": "Al-O-V",
"density": 4.512372804221197,
"density_atomic": 0.0986295240563341,
"volume": 141.94532655357474,
"volume_molar": 6.105819548069949,
"formula_full": "Al2 V4 O8",
"formula_reduced": "AlV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.8888136,
"spacegroup": 166
},
{
"id": "jvasp-58493",
"created_at": "2022-09-04T14:37:16.306740Z",
"updated_at": "2022-09-04T14:37:16.306764Z",
"structure_string": "Al2 V4 O8\n1.0\n5.084903 -0.000774 2.798587\n1.653832 4.808438 2.798587\n-0.001085 -0.000774 5.804165\nAl V O\n2 4 8\ndirect\n0.623596 0.623599 0.623598 Al\n0.376401 0.376403 0.376402 Al\n-0.000000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 V\n-0.000001 0.000000 0.500000 V\n0.252920 0.748271 0.748269 O\n0.251729 0.251732 0.747078 O\n0.251730 0.747079 0.251731 O\n0.248763 0.248764 0.248764 O\n0.748268 0.748271 0.252923 O\n0.747077 0.251732 0.251731 O\n0.748268 0.252923 0.748269 O\n0.751234 0.751238 0.751236 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"V",
"O"
],
"chemical_system": "Al-O-V",
"density": 4.512419502515383,
"density_atomic": 0.09863054476777121,
"volume": 141.94385758451858,
"volume_molar": 6.105756359938319,
"formula_full": "Al2 V4 O8",
"formula_reduced": "AlV2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.8888136,
"spacegroup": 166
},
{
"id": "jvasp-64929",
"created_at": "2022-09-04T14:36:18.438195Z",
"updated_at": "2022-09-04T14:36:18.438227Z",
"structure_string": "Be1 Co4 Pb1\n1.0\n0.000000 3.403109 3.403109\n3.403109 0.000000 3.403109\n3.403109 3.403109 0.000000\nBe Co Pb\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.373829 0.373829 0.373829 Co\n0.373829 0.878514 0.373829 Co\n0.373829 0.373829 0.878514 Co\n0.878514 0.373829 0.373829 Co\n0.750000 0.750000 0.750000 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Co",
"Pb"
],
"chemical_system": "Be-Co-Pb",
"density": 9.520879588051947,
"density_atomic": 0.07611910548268101,
"volume": 78.82383748407486,
"volume_molar": 7.911470742874384,
"formula_full": "Be1 Co4 Pb1",
"formula_reduced": "BeCo4Pb",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.8890900866666662,
"spacegroup": 216
},
{
"id": "jvasp-117506",
"created_at": "2022-09-04T14:38:45.701968Z",
"updated_at": "2022-09-04T14:38:45.701996Z",
"structure_string": "B1 P1 O2\n1.0\n3.119838 0.000000 0.000000\n0.000000 3.119838 -0.000000\n0.000000 0.000000 5.570325\nB P O\n1 1 2\ndirect\n0.500000 0.500000 0.353173 B\n0.000000 0.000000 0.173721 P\n0.000000 0.000000 0.908903 O\n0.500000 0.500000 0.574206 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"P",
"O"
],
"chemical_system": "B-O-P",
"density": 2.2597692423427533,
"density_atomic": 0.0737760449527198,
"volume": 54.218140896051615,
"volume_molar": 8.162731905538383,
"formula_full": "B1 P1 O2",
"formula_reduced": "BPO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.889138770833333,
"spacegroup": 99
}
]
}