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=formula_reduced&page=154",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=152",
"results": [
{
"id": "jvasp-75743",
"created_at": "2022-09-04T14:35:57.705689Z",
"updated_at": "2022-09-04T14:35:57.705702Z",
"structure_string": "B2 Sb1 As1\n1.0\n-0.000000 3.196852 3.196852\n3.196852 -0.000000 3.196852\n3.196852 3.196852 -0.000000\nB Sb As\n2 1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.250000 0.250000 0.250000 B\n0.749999 0.749999 0.749999 Sb\n0.500000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"Sb",
"As"
],
"chemical_system": "As-B-Sb",
"density": 5.547692833632275,
"density_atomic": 0.06121564124260388,
"volume": 65.34277708776403,
"volume_molar": 9.837585031795447,
"formula_full": "B2 Sb1 As1",
"formula_reduced": "B2SbAs",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.6587182541666663,
"spacegroup": 216
},
{
"id": "jvasp-120845",
"created_at": "2022-09-04T14:38:54.728162Z",
"updated_at": "2022-09-04T14:38:54.728192Z",
"structure_string": "B2 Se1\n1.0\n4.893383 -0.318061 -0.756559\n1.359637 -3.736193 -0.003996\n2.336231 0.483470 -2.612279\nB Se\n2 1\ndirect\n0.901096 0.560135 0.520626 B\n0.456719 0.450272 0.059954 B\n0.877663 0.914005 0.001138 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"Se"
],
"chemical_system": "B-Se",
"density": 4.223974951156359,
"density_atomic": 0.07587054860124574,
"volume": 39.541034766562134,
"volume_molar": 7.9373892386763645,
"formula_full": "B2 Se1",
"formula_reduced": "B2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2161695111111106,
"spacegroup": 1
},
{
"id": "jvasp-120842",
"created_at": "2022-09-04T14:38:50.673125Z",
"updated_at": "2022-09-04T14:38:50.673153Z",
"structure_string": "B2 Se1\n1.0\n5.367855 0.000000 0.000000\n0.000000 2.699622 0.000000\n0.000000 0.000000 3.217812\nB Se\n2 1\ndirect\n-0.070094 0.000000 0.753344 B\n-0.070094 0.000000 0.246656 B\n0.540187 0.000000 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"Se"
],
"chemical_system": "B-Se",
"density": 3.5818299452522746,
"density_atomic": 0.06433641441653533,
"volume": 46.629891130969824,
"volume_molar": 9.360392267139197,
"formula_full": "B2 Se1",
"formula_reduced": "B2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 3.2689861777777773,
"spacegroup": 25
},
{
"id": "jvasp-88112",
"created_at": "2022-09-04T14:36:10.985224Z",
"updated_at": "2022-09-04T14:36:10.985240Z",
"structure_string": "B8 Se8 O28\n1.0\n7.394319 0.000000 0.000000\n0.000000 7.942728 0.000000\n0.000000 0.000000 9.082645\nB Se O\n8 8 28\ndirect\n0.086495 0.946125 0.847337 B\n0.073933 0.979559 0.348916 B\n0.913505 0.446125 0.652664 B\n0.586495 0.553875 0.152663 B\n0.426067 0.020441 0.848917 B\n0.926067 0.479559 0.151084 B\n0.573933 0.520441 0.651084 B\n0.413505 0.053875 0.347337 B\n0.103506 0.604733 0.886106 Se\n0.896494 0.104733 0.613895 Se\n0.396494 0.395267 0.386106 Se\n0.576735 0.335189 0.910774 Se\n0.923265 0.664811 0.410774 Se\n0.076735 0.164811 0.089227 Se\n0.603506 0.895267 0.113895 Se\n0.423265 0.835189 0.589227 Se\n0.109317 0.796002 0.378215 O\n0.591856 0.965438 0.933836 O\n0.504592 0.907773 0.421074 O\n0.566488 0.525437 0.315330 O\n0.011735 0.989603 0.191467 O\n0.890683 0.296002 0.121785 O\n0.727593 0.422003 0.617491 O\n0.511735 0.510398 0.808533 O\n0.772408 0.577998 0.117491 O\n0.488265 0.010397 0.691467 O\n0.018806 0.292458 0.608528 O\n0.272408 0.922003 0.882510 O\n0.066488 0.974563 0.684670 O\n0.227593 0.077997 0.382509 O\n0.495408 0.407773 0.078927 O\n0.481194 0.707542 0.108528 O\n-0.004592 0.092227 0.921074 O\n0.408145 0.465438 0.566165 O\n0.981195 0.792458 0.891473 O\n0.091855 0.534563 0.066164 O\n0.609317 0.703999 0.621785 O\n0.933512 0.474563 0.815330 O\n0.433512 0.025437 0.184670 O\n0.908145 0.034563 0.433836 O\n0.518806 0.207542 0.391473 O\n0.988265 0.489603 0.308533 O\n0.004592 0.592227 0.578927 O\n0.390683 0.203999 0.878215 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"B",
"Se",
"O"
],
"chemical_system": "B-O-Se",
"density": 3.6301431242538005,
"density_atomic": 0.08248452231179995,
"volume": 533.4334098908337,
"volume_molar": 7.300934273748583,
"formula_full": "B8 Se8 O28",
"formula_reduced": "B2Se2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.0071405818181813,
"spacegroup": 19
},
{
"id": "jvasp-115500",
"created_at": "2022-09-04T14:38:44.066301Z",
"updated_at": "2022-09-04T14:38:44.066329Z",
"structure_string": "B2 S1 O2\n1.0\n2.539718 -0.000000 -0.000000\n-1.269859 2.199460 -0.000000\n0.000000 0.000000 7.609790\nB S O\n2 1 2\ndirect\n0.666668 0.333334 0.255798 B\n0.333334 0.666667 0.744201 B\n0.000000 0.000000 0.000000 S\n0.333334 0.666667 0.325801 O\n0.666668 0.333334 0.674198 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"B",
"S",
"O"
],
"chemical_system": "B-O-S",
"density": 3.347215824105414,
"density_atomic": 0.11762395200738145,
"volume": 42.50834897713883,
"volume_molar": 5.119825220310642,
"formula_full": "B2 S1 O2",
"formula_reduced": "B2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.208862433333333,
"spacegroup": 164
},
{
"id": "jvasp-117519",
"created_at": "2022-09-04T14:38:51.227747Z",
"updated_at": "2022-09-04T14:38:51.227767Z",
"structure_string": "B2 Te1\n1.0\n4.369916 0.000000 -0.000000\n-2.184958 3.784459 0.000000\n0.000000 -0.000000 2.819193\nB Te\n2 1\ndirect\n0.333334 0.666668 0.000000 B\n0.666668 0.333334 0.000000 B\n0.000000 0.000000 0.000000 Te\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"Te"
],
"chemical_system": "B-Te",
"density": 5.3147183229573995,
"density_atomic": 0.06434570341838575,
"volume": 46.62315959922817,
"volume_molar": 9.359040992749907,
"formula_full": "B2 Te1",
"formula_reduced": "B2Te",
"formula_anonymous": "AB2",
"energy_above_hull": 3.626237644444445,
"spacegroup": 191
},
{
"id": "jvasp-15900",
"created_at": "2022-09-04T14:38:16.865971Z",
"updated_at": "2022-09-04T14:38:16.865991Z",
"structure_string": "B2 W1\n1.0\n1.503998 -2.605002 0.000000\n1.503998 2.605002 -0.000000\n0.000000 -0.000000 3.428569\nB W\n2 1\ndirect\n0.666668 0.333334 0.500000 B\n0.333334 0.666668 0.500000 B\n0.000000 0.000000 0.000000 W\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"W"
],
"chemical_system": "B-W",
"density": 12.699376507294113,
"density_atomic": 0.11166653627083055,
"volume": 26.865703013514693,
"volume_molar": 5.392968172124722,
"formula_full": "B2 W1",
"formula_reduced": "B2W",
"formula_anonymous": "AB2",
"energy_above_hull": 5.035005055555556,
"spacegroup": 191
},
{
"id": "jvasp-4675",
"created_at": "2022-09-04T14:38:30.472413Z",
"updated_at": "2022-09-04T14:38:30.472429Z",
"structure_string": "B2 W1\n1.0\n1.503998 -2.605002 0.000000\n1.503998 2.605002 0.000000\n0.000000 0.000000 3.428569\nB W\n2 1\ndirect\n0.666668 0.333334 0.500000 B\n0.333334 0.666668 0.500000 B\n0.000000 0.000000 0.000000 W\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"W"
],
"chemical_system": "B-W",
"density": 12.699376507294113,
"density_atomic": 0.11166653627083055,
"volume": 26.865703013514693,
"volume_molar": 5.392968172124722,
"formula_full": "B2 W1",
"formula_reduced": "B2W",
"formula_anonymous": "AB2",
"energy_above_hull": 5.035005055555556,
"spacegroup": 191
},
{
"id": "jvasp-56320",
"created_at": "2022-09-04T14:37:05.815394Z",
"updated_at": "2022-09-04T14:37:05.815420Z",
"structure_string": "B8 W4\n1.0\n1.509478 -2.614493 0.000000\n1.509478 2.614493 -0.000000\n0.000000 -0.000000 14.147513\nB W\n8 4\ndirect\n0.333334 0.666668 0.477394 B\n0.666668 0.333334 0.522606 B\n0.000000 0.000000 0.750000 B\n0.333334 0.666668 0.022606 B\n0.666668 0.333334 0.750000 B\n0.666668 0.333334 0.977394 B\n0.333334 0.666668 0.250000 B\n0.000000 0.000000 0.250000 B\n0.333334 0.666668 0.865671 W\n0.666668 0.333334 0.365671 W\n0.333334 0.666668 0.634328 W\n0.666668 0.333334 0.134328 W\n",
"nsites": 12,
"nelements": 2,
"elements": [
"B",
"W"
],
"chemical_system": "B-W",
"density": 12.221266980201586,
"density_atomic": 0.10746248461381869,
"volume": 111.66687652089621,
"volume_molar": 5.603947071986468,
"formula_full": "B8 W4",
"formula_reduced": "B2W",
"formula_anonymous": "AB2",
"energy_above_hull": 4.885101722222222,
"spacegroup": 194
},
{
"id": "jvasp-120817",
"created_at": "2022-09-04T14:38:52.121144Z",
"updated_at": "2022-09-04T14:38:52.121168Z",
"structure_string": "B3 As1\n1.0\n3.051027 0.027033 1.086846\n1.041404 -4.829059 0.075201\n-2.093177 -0.752476 -3.766753\nB As\n3 1\ndirect\n0.269586 0.917501 0.113576 B\n0.817838 0.846339 0.150065 B\n0.151539 0.731649 0.706692 B\n0.923048 0.406907 0.868185 As\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"As"
],
"chemical_system": "As-B",
"density": 4.057540677676034,
"density_atomic": 0.09104437484312775,
"volume": 43.93461986961987,
"volume_molar": 6.614511627298593,
"formula_full": "B3 As1",
"formula_reduced": "B3As",
"formula_anonymous": "AB3",
"energy_above_hull": 4.031039875,
"spacegroup": 8
},
{
"id": "jvasp-114474",
"created_at": "2022-09-04T14:38:41.194573Z",
"updated_at": "2022-09-04T14:38:41.194612Z",
"structure_string": "B3 Br1\n1.0\n5.809787 -0.083660 0.334647\n-0.491706 -3.570709 0.430866\n-0.210501 1.997979 -3.024219\nB Br\n3 1\ndirect\n0.921179 0.085131 0.883954 B\n0.921165 0.511741 0.457284 B\n0.104954 0.389816 0.761883 B\n0.367853 0.020577 0.392471 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"B",
"Br"
],
"chemical_system": "B-Br",
"density": 3.256185942157583,
"density_atomic": 0.06982280136084355,
"volume": 57.28787619574355,
"volume_molar": 8.624891357305524,
"formula_full": "B3 Br1",
"formula_reduced": "B3Br",
"formula_anonymous": "AB3",
"energy_above_hull": 3.41938796375,
"spacegroup": 42
},
{
"id": "jvasp-29905",
"created_at": "2022-09-04T14:37:35.265911Z",
"updated_at": "2022-09-04T14:37:35.265927Z",
"structure_string": "B6 C20 N6\n1.0\n5.010760 0.000000 0.000000\n0.000000 6.675301 -0.000000\n0.000000 -0.000000 8.664307\nB C N\n6 20 6\ndirect\n0.500000 0.250000 0.343600 B\n0.500000 0.750000 0.656400 B\n0.500000 0.750000 0.995625 B\n0.000000 0.250000 0.507364 B\n0.500000 0.250000 0.004375 B\n0.000000 0.750000 0.492637 B\n0.759077 0.250000 0.088908 C\n0.000000 0.750000 0.163210 C\n0.759024 0.250000 0.252698 C\n0.500000 0.250000 0.835991 C\n0.240976 0.750000 0.747303 C\n0.000000 0.750000 0.666482 C\n0.240923 0.250000 0.088908 C\n0.500000 0.750000 0.164010 C\n0.254815 0.750000 0.404676 C\n0.254815 0.250000 0.595324 C\n0.745185 0.250000 0.595324 C\n0.240923 0.750000 0.911093 C\n0.000000 0.250000 0.836790 C\n0.000000 0.250000 0.333518 C\n0.240976 0.250000 0.252698 C\n0.000000 0.750000 0.996399 C\n0.759024 0.750000 0.747303 C\n0.759077 0.750000 0.911093 C\n0.000000 0.250000 0.003601 C\n0.745185 0.750000 0.404676 C\n0.748626 0.750000 0.245850 N\n0.500000 0.750000 0.481613 N\n0.500000 0.250000 0.518388 N\n0.251374 0.250000 0.754150 N\n0.251374 0.750000 0.245850 N\n0.748626 0.250000 0.754150 N\n",
"nsites": 32,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 2.2295878365577053,
"density_atomic": 0.11041846128306408,
"volume": 289.80661049030704,
"volume_molar": 5.453925629847255,
"formula_full": "B6 C20 N6",
"formula_reduced": "B3C10N3",
"formula_anonymous": "A3B3C10",
"energy_above_hull": 6.96230734375,
"spacegroup": 51
}
]
}