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=volume_molar&page=7",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=5",
"results": [
{
"id": "jvasp-25055",
"created_at": "2022-09-04T14:37:51.390251Z",
"updated_at": "2022-09-04T14:37:51.390278Z",
"structure_string": "C4\n1.0\n0.000000 -0.000000 -2.510403\n-2.189163 -2.189163 -1.255202\n-2.189163 2.189163 -1.255202\nC\n4\ndirect\n0.180406 0.639188 0.000000 C\n0.819593 0.360811 0.000000 C\n0.819593 0.000000 0.360811 C\n0.180406 0.000000 0.639188 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.3154903533848197,
"density_atomic": 0.1662380177958443,
"volume": 24.061884597976686,
"volume_molar": 3.6226013999972904,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy_above_hull": 0.30992,
"spacegroup": 139
},
{
"id": "jvasp-35826",
"created_at": "2022-09-04T14:37:34.274157Z",
"updated_at": "2022-09-04T14:37:34.274174Z",
"structure_string": "B1 C5\n1.0\n1.276807 -2.211494 0.000000\n1.276807 2.211494 -0.000000\n0.000000 0.000000 6.391949\nB C\n1 5\ndirect\n0.000000 0.000000 0.992901 B\n0.000000 0.000000 0.740471 C\n0.333334 0.666668 0.661191 C\n0.666668 0.333334 0.335452 C\n0.333334 0.666668 0.418424 C\n0.666668 0.333334 0.100563 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.2598942162122464,
"density_atomic": 0.16621757161504785,
"volume": 36.09726662290387,
"volume_molar": 3.6230470109062822,
"formula_full": "B1 C5",
"formula_reduced": "BC5",
"formula_anonymous": "AB5",
"energy_above_hull": 6.438543763888889,
"spacegroup": 156
},
{
"id": "jvasp-93808",
"created_at": "2022-09-04T14:36:33.884100Z",
"updated_at": "2022-09-04T14:36:33.884110Z",
"structure_string": "B1 C5\n1.0\n2.516839 -0.000000 0.000000\n-0.000000 2.516839 0.000000\n-1.258420 -1.258420 5.699235\nB C\n1 5\ndirect\n0.750000 0.250000 0.500000 B\n0.843713 0.843713 0.687425 C\n0.156287 0.156287 0.312574 C\n0.500000 0.500000 -0.000000 C\n0.419900 0.919900 0.839799 C\n0.080100 0.580100 0.160200 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.259495530132769,
"density_atomic": 0.16619724315419232,
"volume": 36.10168186985748,
"volume_molar": 3.623490164883696,
"formula_full": "B1 C5",
"formula_reduced": "BC5",
"formula_anonymous": "AB5",
"energy_above_hull": 6.433170430555556,
"spacegroup": 119
},
{
"id": "jvasp-93377",
"created_at": "2022-09-04T14:36:06.865594Z",
"updated_at": "2022-09-04T14:36:06.865610Z",
"structure_string": "B1 C5\n1.0\n0.000000 2.508110 0.000000\n0.000000 0.000000 3.731882\n3.862730 -1.254055 -1.865941\nB C\n1 5\ndirect\n0.500000 0.524340 0.000000 B\n0.672251 0.455934 0.344503 C\n0.327747 0.111432 0.655497 C\n0.168378 0.210264 0.336757 C\n0.831620 0.873507 0.663243 C\n0.000000 0.824622 0.000000 C\n",
"nsites": 6,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 3.2546852012172955,
"density_atomic": 0.16595197102633516,
"volume": 36.15503909289424,
"volume_molar": 3.628845576678531,
"formula_full": "B1 C5",
"formula_reduced": "BC5",
"formula_anonymous": "AB5",
"energy_above_hull": 6.437393763888889,
"spacegroup": 44
},
{
"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-36192",
"created_at": "2022-09-04T14:37:20.121388Z",
"updated_at": "2022-09-04T14:37:20.121410Z",
"structure_string": "B1 C2 N1\n1.0\n2.568279 0.000000 0.000000\n0.000000 2.568279 0.000000\n0.000000 -0.000000 3.674545\nB C N\n1 2 1\ndirect\n0.500000 0.500000 0.500001 B\n0.000000 0.500000 0.248089 C\n0.500000 0.000000 0.751913 C\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.346021891307853,
"density_atomic": 0.16503346558360654,
"volume": 24.237508349320738,
"volume_molar": 3.649042173782118,
"formula_full": "B1 C2 N1",
"formula_reduced": "BC2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 5.480893958333333,
"spacegroup": 115
},
{
"id": "jvasp-117482",
"created_at": "2022-09-04T14:38:35.366870Z",
"updated_at": "2022-09-04T14:38:35.366906Z",
"structure_string": "B2 H1\n1.0\n3.923843 -0.003793 0.755877\n-0.365874 -1.715674 -0.116913\n-2.057868 1.564887 -3.055575\nB H\n2 1\ndirect\n0.232748 0.026097 0.668014 B\n0.843256 0.025133 0.057138 B\n0.037997 0.025594 0.862553 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 2.0658599261692157,
"density_atomic": 0.16492618986351976,
"volume": 18.189955170143502,
"volume_molar": 3.651415681756464,
"formula_full": "B2 H1",
"formula_reduced": "B2H",
"formula_anonymous": "AB2",
"energy_above_hull": 3.548358388888889,
"spacegroup": 71
},
{
"id": "jvasp-36406",
"created_at": "2022-09-04T14:37:11.669441Z",
"updated_at": "2022-09-04T14:37:11.669470Z",
"structure_string": "C1 N2\n1.0\n2.464960 0.000000 -0.000000\n-0.000000 2.464960 0.000000\n-1.232480 -1.232480 2.998746\nC N\n1 2\ndirect\n0.250000 0.750000 0.500001 C\n0.612114 0.612114 0.224228 N\n0.387887 0.387887 0.775774 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.6476338591043436,
"density_atomic": 0.16465003246588586,
"volume": 18.220464065936795,
"volume_molar": 3.65753997725311,
"formula_full": "C1 N2",
"formula_reduced": "CN2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.1375788333333325,
"spacegroup": 119
},
{
"id": "jvasp-117474",
"created_at": "2022-09-04T14:38:50.070356Z",
"updated_at": "2022-09-04T14:38:50.070376Z",
"structure_string": "B2 H1\n1.0\n3.910231 0.837126 -0.302289\n-3.809547 -4.165696 0.657711\n-0.669166 0.755235 -1.441237\nB H\n2 1\ndirect\n0.584426 0.327491 0.182213 B\n0.416714 0.938062 0.403653 B\n0.000620 0.132801 0.792966 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 2.0555180441605003,
"density_atomic": 0.16410055441064642,
"volume": 18.281473885169078,
"volume_molar": 3.669786967891742,
"formula_full": "B2 H1",
"formula_reduced": "B2H",
"formula_anonymous": "AB2",
"energy_above_hull": 3.545338388888889,
"spacegroup": 71
},
{
"id": "jvasp-93685",
"created_at": "2022-09-04T14:35:52.592602Z",
"updated_at": "2022-09-04T14:35:52.592631Z",
"structure_string": "C2 N4\n1.0\n2.477183 0.000000 -0.000000\n-1.238591 3.223090 -0.000000\n-0.000000 -0.000000 4.581420\nC N\n2 4\ndirect\n0.887369 0.774738 0.279273 C\n0.112630 0.225262 0.779273 C\n0.924779 0.849560 0.952032 N\n0.075220 0.150440 0.452032 N\n0.736907 0.473815 0.821545 N\n0.263092 0.526185 0.321546 N\n",
"nsites": 6,
"nelements": 2,
"elements": [
"C",
"N"
],
"chemical_system": "C-N",
"density": 3.633875442743284,
"density_atomic": 0.16402899324209602,
"volume": 36.578899140985364,
"volume_molar": 3.671387991214283,
"formula_full": "C2 N4",
"formula_reduced": "CN2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.130458833333333,
"spacegroup": 36
},
{
"id": "jvasp-79487",
"created_at": "2022-09-04T14:37:16.200615Z",
"updated_at": "2022-09-04T14:37:16.200646Z",
"structure_string": "H3 S1\n1.0\n-1.835747 -1.835747 1.835747\n-1.835747 1.835747 -1.835747\n1.835747 -1.835747 -1.835747\nH S\n3 1\ndirect\n0.000000 0.500001 0.500001 H\n0.500001 0.000000 0.500001 H\n0.500001 0.500001 0.000000 H\n0.000000 0.000000 0.000000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"S"
],
"chemical_system": "H-S",
"density": 2.354612191173461,
"density_atomic": 0.1616447182362798,
"volume": 24.745627593925512,
"volume_molar": 3.7255413141289893,
"formula_full": "H3 S1",
"formula_reduced": "H3S",
"formula_anonymous": "AB3",
"energy_above_hull": 2.58365,
"spacegroup": 229
},
{
"id": "jvasp-3315",
"created_at": "2022-09-04T14:36:03.243919Z",
"updated_at": "2022-09-04T14:36:03.243946Z",
"structure_string": "Be2 C2 N4\n1.0\n3.427982 0.000000 -1.557848\n-0.707964 3.354078 -1.557848\n-0.071411 -0.088057 4.393356\nBe C N\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250001 0.750000 0.500000 Be\n0.500000 0.500000 -0.000000 C\n0.750000 0.250000 0.500000 C\n0.420445 0.375000 0.250000 N\n0.125001 0.579555 0.750000 N\n0.625000 0.170444 0.750000 N\n0.829556 0.875000 0.250000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Be",
"C",
"N"
],
"chemical_system": "Be-C-N",
"density": 3.2851165514231555,
"density_atomic": 0.16137793067192782,
"volume": 49.573073385502425,
"volume_molar": 3.731700322916317,
"formula_full": "Be2 C2 N4",
"formula_reduced": "BeCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.40843065,
"spacegroup": 122
}
]
}