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=4637",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=4635",
"results": [
{
"id": "jvasp-115617",
"created_at": "2022-09-04T14:38:47.854416Z",
"updated_at": "2022-09-04T14:38:47.854454Z",
"structure_string": "Be1 C1 N2\n1.0\n2.458754 -0.000000 -0.000000\n-0.000000 2.458754 -0.000000\n0.000000 0.000000 4.238973\nBe C N\n1 1 2\ndirect\n0.499999 0.499999 0.550004 Be\n0.000000 0.000000 0.096576 C\n0.000000 0.000000 0.409739 N\n0.499999 0.499999 0.953680 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"C",
"N"
],
"chemical_system": "Be-C-N",
"density": 3.1774287597570887,
"density_atomic": 0.15608788001294252,
"volume": 25.62658932691204,
"volume_molar": 3.8581732031344487,
"formula_full": "Be1 C1 N2",
"formula_reduced": "BeCN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.67142315,
"spacegroup": 99
},
{
"id": "jvasp-121080",
"created_at": "2022-09-04T14:38:54.825705Z",
"updated_at": "2022-09-04T14:38:54.825720Z",
"structure_string": "H2 C1\n1.0\n3.256020 0.399193 0.116437\n0.222552 -1.757016 -0.199995\n0.015207 0.373140 -3.261097\nH C\n2 1\ndirect\n0.007776 0.714026 0.614561 H\n0.617299 0.714019 0.223634 H\n-0.056770 0.714023 0.288558 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.213069855769385,
"density_atomic": 0.15624501679698152,
"volume": 19.20061235551646,
"volume_molar": 3.8542930094371752,
"formula_full": "H2 C1",
"formula_reduced": "H2C",
"formula_anonymous": "AB2",
"energy_above_hull": 3.530576666666668,
"spacegroup": 38
},
{
"id": "jvasp-36195",
"created_at": "2022-09-04T14:37:27.235834Z",
"updated_at": "2022-09-04T14:37:27.235868Z",
"structure_string": "B2 C1 N1\n1.0\n1.287571 -2.230138 -0.000000\n1.287571 2.230138 0.000000\n0.000000 -0.000000 4.434726\nB C N\n2 1 1\ndirect\n0.000000 0.000000 0.829815 B\n0.333332 0.666667 0.357847 B\n0.333332 0.666667 0.996101 C\n0.000000 0.000000 0.487239 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.106101679777279,
"density_atomic": 0.15705807828776516,
"volume": 25.468285640622156,
"volume_molar": 3.8343400260928346,
"formula_full": "B2 C1 N1",
"formula_reduced": "B2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.920664604166667,
"spacegroup": 156
},
{
"id": "jvasp-36194",
"created_at": "2022-09-04T14:37:20.258757Z",
"updated_at": "2022-09-04T14:37:20.258767Z",
"structure_string": "B2 C1 N1\n1.0\n2.483242 -0.001162 3.916961\n1.136129 2.208098 3.916961\n-0.001905 -0.001162 4.637786\nB C N\n2 1 1\ndirect\n0.223523 0.223524 0.223523 B\n0.732238 0.732239 0.732236 B\n0.345014 0.345014 0.345013 C\n0.847725 0.847727 0.847723 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.107254000970913,
"density_atomic": 0.1571163446843293,
"volume": 25.45884075928962,
"volume_molar": 3.8329180659716844,
"formula_full": "B2 C1 N1",
"formula_reduced": "B2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.918902104166667,
"spacegroup": 160
},
{
"id": "jvasp-36196",
"created_at": "2022-09-04T14:37:27.521932Z",
"updated_at": "2022-09-04T14:37:27.521941Z",
"structure_string": "B2 C1 N1\n1.0\n2.528612 0.000000 0.000000\n0.000000 2.528612 -0.000000\n0.000000 -0.000000 3.963931\nB C N\n2 1 1\ndirect\n0.500000 0.000000 0.730225 B\n0.000000 0.500000 0.269774 B\n0.500000 0.500000 0.000000 C\n0.000000 0.000000 0.500000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.121223766197734,
"density_atomic": 0.1578227170786847,
"volume": 25.344893777273803,
"volume_molar": 3.8157629468497736,
"formula_full": "B2 C1 N1",
"formula_reduced": "B2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.914112104166668,
"spacegroup": 115
},
{
"id": "jvasp-62495",
"created_at": "2022-09-04T14:36:18.240234Z",
"updated_at": "2022-09-04T14:36:18.240250Z",
"structure_string": "B4 C2 N2\n1.0\n2.511462 0.000000 0.000000\n0.000000 2.552659 0.000000\n0.000000 0.000000 7.902967\nB C N\n4 2 2\ndirect\n0.250000 0.000000 0.688150 B\n0.749999 0.000000 0.311851 B\n0.250000 0.500000 0.085025 B\n0.749999 0.500000 0.914975 B\n0.250000 0.500000 0.551834 C\n0.749999 0.500000 0.448166 C\n0.250000 0.000000 0.195032 N\n0.749999 0.000000 0.804968 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.1227397634797973,
"density_atomic": 0.15789937252797684,
"volume": 50.66517917025001,
"volume_molar": 3.8139105074233197,
"formula_full": "B4 C2 N2",
"formula_reduced": "B2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.894097104166667,
"spacegroup": 51
},
{
"id": "jvasp-91700",
"created_at": "2022-09-04T14:35:48.248118Z",
"updated_at": "2022-09-04T14:35:48.248134Z",
"structure_string": "B4 C2 N2\n1.0\n2.511447 0.000000 0.000000\n0.000000 2.552589 0.000000\n0.000000 0.000000 7.903150\nB C N\n4 2 2\ndirect\n0.250000 0.000000 0.688146 B\n0.750001 0.000000 0.311854 B\n0.250000 0.500000 0.085029 B\n0.750001 0.500000 0.914971 B\n0.250000 0.500000 0.551832 C\n0.750001 0.500000 0.448168 C\n0.250000 0.000000 0.195038 N\n0.750001 0.000000 0.804962 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"B",
"C",
"N"
],
"chemical_system": "B-C-N",
"density": 3.1227717398872135,
"density_atomic": 0.15790098939491073,
"volume": 50.66466037139249,
"volume_molar": 3.8138714539264935,
"formula_full": "B4 C2 N2",
"formula_reduced": "B2CN",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.894097104166667,
"spacegroup": 51
},
{
"id": "jvasp-118457",
"created_at": "2022-09-04T14:38:52.257056Z",
"updated_at": "2022-09-04T14:38:52.257086Z",
"structure_string": "Li1 H2 N1\n1.0\n2.780359 -0.000000 0.000000\n-1.390179 2.407861 0.000000\n-0.000000 0.000000 3.776485\nLi H N\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.000000 H\n0.333333 0.666667 0.000000 H\n0.000000 0.000000 0.000000 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"H",
"N"
],
"chemical_system": "H-Li-N",
"density": 1.5082336996084973,
"density_atomic": 0.158212188886171,
"volume": 25.28250211415684,
"volume_molar": 3.806369662411252,
"formula_full": "Li1 H2 N1",
"formula_reduced": "LiH2N",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8952033125,
"spacegroup": 191
},
{
"id": "jvasp-38519",
"created_at": "2022-09-04T14:38:03.606579Z",
"updated_at": "2022-09-04T14:38:03.606614Z",
"structure_string": "H1 C12 N8\n1.0\n5.097923 0.000000 0.000000\n0.000000 5.097923 -0.000000\n0.000000 -0.000000 5.097911\nH C N\n1 12 8\ndirect\n0.500000 0.500000 0.504815 H\n0.155224 0.844776 0.504757 C\n0.844776 0.155224 0.504757 C\n0.844776 0.844776 0.504757 C\n0.500000 0.155221 0.849539 C\n0.500000 0.844776 0.159984 C\n0.155224 0.155224 0.504757 C\n0.500000 0.844778 0.849539 C\n0.844776 0.500000 0.159984 C\n0.155221 0.500000 0.849539 C\n0.155224 0.500000 0.159984 C\n0.844778 0.500000 0.849539 C\n0.500000 0.155224 0.159984 C\n0.742703 0.257296 0.262057 N\n0.742700 0.742700 0.747459 N\n0.257296 0.257296 0.262057 N\n0.257296 0.742703 0.262057 N\n0.742700 0.257299 0.747459 N\n0.257299 0.257299 0.747459 N\n0.742703 0.742703 0.262057 N\n0.257299 0.742700 0.747459 N\n",
"nsites": 21,
"nelements": 3,
"elements": [
"H",
"C",
"N"
],
"chemical_system": "C-H-N",
"density": 3.2234748217831166,
"density_atomic": 0.15850410071087853,
"volume": 132.4886858183267,
"volume_molar": 3.799359595739901,
"formula_full": "H1 C12 N8",
"formula_reduced": "H(C3N2)4",
"formula_anonymous": "AB8C12",
"energy_above_hull": 7.039662666666667,
"spacegroup": 221
},
{
"id": "jvasp-114492",
"created_at": "2022-09-04T14:38:41.360317Z",
"updated_at": "2022-09-04T14:38:41.360340Z",
"structure_string": "B2 H2 C2\n1.0\n2.702937 -0.000000 0.000000\n-1.351469 2.340812 -0.000000\n0.000000 0.000000 5.970344\nB H C\n2 2 2\ndirect\n0.666667 0.333333 0.250000 B\n0.333333 0.666667 0.750000 B\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n0.666667 0.333333 0.750000 C\n0.333333 0.666667 0.250000 C\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"H",
"C"
],
"chemical_system": "B-C-H",
"density": 2.0950517790837453,
"density_atomic": 0.15883618112767292,
"volume": 37.77476867929219,
"volume_molar": 3.7914162360522803,
"formula_full": "B2 H2 C2",
"formula_reduced": "BHC",
"formula_anonymous": "ABC",
"energy_above_hull": 4.151924194444444,
"spacegroup": 194
},
{
"id": "jvasp-18416",
"created_at": "2022-09-04T14:36:07.163189Z",
"updated_at": "2022-09-04T14:36:07.163210Z",
"structure_string": "V1 H2\n1.0\n2.587006 0.000000 1.493609\n0.862335 2.439053 1.493609\n0.000000 0.000000 2.987217\nV H\n1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.750003 0.749999 0.750000 H\n0.250001 0.250000 0.250000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"V",
"H"
],
"chemical_system": "H-V",
"density": 4.665413509615197,
"density_atomic": 0.15916068847184828,
"volume": 18.8488754905746,
"volume_molar": 3.7836860457318093,
"formula_full": "V1 H2",
"formula_reduced": "VH2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7435714000000004,
"spacegroup": 225
},
{
"id": "jvasp-120208",
"created_at": "2022-09-04T14:38:45.355531Z",
"updated_at": "2022-09-04T14:38:45.355556Z",
"structure_string": "H3 C1\n1.0\n3.401876 -0.369917 0.016755\n-0.315389 -1.622568 -0.037533\n1.036712 1.406580 -4.414265\nH C\n3 1\ndirect\n0.629754 0.236492 0.355312 H\n0.715003 0.867156 -0.073657 H\n0.889354 0.718056 0.727698 H\n0.471832 0.039302 0.165443 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 0.9948163714553739,
"density_atomic": 0.15939116702966355,
"volume": 25.095493524152303,
"volume_molar": 3.7782148611028408,
"formula_full": "H3 C1",
"formula_reduced": "H3C",
"formula_anonymous": "AB3",
"energy_above_hull": 3.6450400000000007,
"spacegroup": 1
}
]
}