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_full&page=619",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=617",
"results": [
{
"id": "jvasp-834",
"created_at": "2022-09-04T14:37:48.292489Z",
"updated_at": "2022-09-04T14:37:48.292510Z",
"structure_string": "Be2\n1.0\n1.132437 -1.961439 0.000000\n1.132437 1.961439 0.000000\n0.000000 0.000000 3.565947\nBe\n2\ndirect\n0.333334 0.666668 0.750001 Be\n0.666668 0.333334 0.250000 Be\n",
"nsites": 2,
"nelements": 1,
"elements": [
"Be"
],
"chemical_system": "Be",
"density": 1.8893625825290994,
"density_atomic": 0.12625141638949758,
"volume": 15.84140643483801,
"volume_molar": 4.769958969348213,
"formula_full": "Be2",
"formula_reduced": "Be",
"formula_anonymous": "A",
"energy_above_hull": 3.899999999834591e-06,
"spacegroup": 194
},
{
"id": "jvasp-87155",
"created_at": "2022-09-04T14:35:48.457096Z",
"updated_at": "2022-09-04T14:35:48.457127Z",
"structure_string": "Be26 Sb2\n1.0\n6.312790 0.000000 3.644691\n2.104264 5.951756 3.644691\n-0.000000 -0.000000 7.289382\nBe Sb\n26 2\ndirect\n0.931839 0.285519 0.714481 Be\n0.068161 0.714482 0.285518 Be\n0.214481 0.431839 0.568161 Be\n0.431838 0.568162 0.214481 Be\n0.568161 0.214482 0.431839 Be\n0.214481 0.568162 0.785518 Be\n0.214481 0.785519 0.431839 Be\n0.785518 0.568162 0.431839 Be\n0.285518 0.714482 0.931838 Be\n0.285519 0.068161 0.714481 Be\n0.068160 0.931839 0.714481 Be\n0.714481 0.931839 0.285518 Be\n0.931838 0.714482 0.068161 Be\n0.714481 0.285519 0.068161 Be\n0.931839 0.068161 0.285518 Be\n0.068161 0.285519 0.931838 Be\n0.785518 0.431839 0.214481 Be\n0.431838 0.785519 0.568161 Be\n0.431839 0.214482 0.785518 Be\n0.568161 0.785519 0.214481 Be\n0.785518 0.214482 0.568161 Be\n0.568161 0.431839 0.785518 Be\n0.285518 0.931839 0.068161 Be\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.714481 0.068161 0.931838 Be\n0.749999 0.750001 0.750000 Sb\n0.250000 0.250000 0.250000 Sb\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Be",
"Sb"
],
"chemical_system": "Be-Sb",
"density": 2.897153180318204,
"density_atomic": 0.10223529640941084,
"volume": 273.87801457406033,
"volume_molar": 5.89047126726544,
"formula_full": "Be26 Sb2",
"formula_reduced": "Be13Sb",
"formula_anonymous": "AB13",
"energy_above_hull": 2.263090385714285,
"spacegroup": 226
},
{
"id": "jvasp-12563",
"created_at": "2022-09-04T14:36:45.653279Z",
"updated_at": "2022-09-04T14:36:45.653306Z",
"structure_string": "Be2 Al2 H10\n1.0\n4.458832 0.034261 -1.341425\n-1.144921 4.309468 -1.341425\n-0.008635 -0.011318 6.333669\nBe Al H\n2 2 10\ndirect\n0.662065 0.337933 0.750001 Be\n0.337934 0.662066 0.250001 Be\n0.000000 0.000000 0.000000 Al\n-0.000001 -0.000000 0.500000 Al\n0.348955 0.268395 0.594877 H\n0.731603 0.651044 0.905125 H\n0.651044 0.731605 0.405125 H\n0.268395 0.348955 0.094877 H\n0.090866 0.909133 0.750001 H\n0.909133 0.090867 0.250001 H\n0.310416 0.859285 0.112749 H\n0.140715 0.689585 0.387253 H\n0.689583 0.140715 0.887252 H\n0.859283 0.310415 0.612749 H\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Be",
"Al",
"H"
],
"chemical_system": "Al-Be-H",
"density": 1.1186921994556294,
"density_atomic": 0.11492693656143188,
"volume": 121.81652464491283,
"volume_molar": 5.239973273611958,
"formula_full": "Be2 Al2 H10",
"formula_reduced": "BeAlH5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.6551869857142862,
"spacegroup": 15
},
{
"id": "jvasp-12562",
"created_at": "2022-09-04T14:36:44.401080Z",
"updated_at": "2022-09-04T14:36:44.401097Z",
"structure_string": "Be2 Al2 H10\n1.0\n0.000000 4.668372 0.095578\n4.317052 0.000000 0.000000\n0.000000 -0.191792 -6.248914\nBe Al H\n2 2 10\ndirect\n-0.002693 0.230334 0.381185 Be\n0.002694 0.730334 0.618814 Be\n0.244215 0.990123 0.001025 Al\n0.755785 0.490123 -0.001026 Al\n0.124943 0.466218 0.516543 H\n0.875057 -0.033781 0.483456 H\n0.748180 0.338969 0.255942 H\n0.251820 0.838968 0.744057 H\n0.237901 0.144290 0.256934 H\n0.762099 0.644290 0.743065 H\n0.056688 0.681564 0.088779 H\n0.943312 0.181564 0.911220 H\n0.552841 0.796501 0.080504 H\n0.447159 0.296501 0.919496 H\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Be",
"Al",
"H"
],
"chemical_system": "Al-Be-H",
"density": 1.0827607818239051,
"density_atomic": 0.11123558360774814,
"volume": 125.85900613753626,
"volume_molar": 5.413861791956767,
"formula_full": "Be2 Al2 H10",
"formula_reduced": "BeAlH5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.655551271428572,
"spacegroup": 4
},
{
"id": "jvasp-75680",
"created_at": "2022-09-04T14:36:15.870042Z",
"updated_at": "2022-09-04T14:36:15.870073Z",
"structure_string": "Be2 As1 Cl1\n1.0\n0.000000 3.164174 3.164174\n3.164174 -0.000000 3.164174\n3.164174 3.164174 0.000000\nBe As Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Be\n0.499999 0.499999 0.499999 As\n0.749999 0.749999 0.749999 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"As",
"Cl"
],
"chemical_system": "As-Be-Cl",
"density": 3.365112195621131,
"density_atomic": 0.06313190913978503,
"volume": 63.359401838194124,
"volume_molar": 9.538980908475196,
"formula_full": "Be2 As1 Cl1",
"formula_reduced": "Be2AsCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.748797004375,
"spacegroup": 216
},
{
"id": "jvasp-75488",
"created_at": "2022-09-04T14:36:05.611840Z",
"updated_at": "2022-09-04T14:36:05.611863Z",
"structure_string": "Be2 As1 Se1\n1.0\n0.000000 3.160395 3.160395\n3.160395 -0.000000 3.160395\n3.160395 3.160395 -0.000000\nBe As Se\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Be\n0.500001 0.500001 0.500001 As\n0.750001 0.750001 0.750001 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"As",
"Se"
],
"chemical_system": "As-Be-Se",
"density": 4.52153552929725,
"density_atomic": 0.06335864744792453,
"volume": 63.13266083035725,
"volume_molar": 9.504844251843746,
"formula_full": "Be2 As1 Se1",
"formula_reduced": "Be2AsSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0613493291666667,
"spacegroup": 216
},
{
"id": "jvasp-19711",
"created_at": "2022-09-04T14:38:28.157579Z",
"updated_at": "2022-09-04T14:38:28.157601Z",
"structure_string": "Be2 B1\n1.0\n2.803122 0.000000 1.618383\n0.934374 2.642809 1.618383\n-0.000000 -0.000000 3.236767\nBe B\n2 1\ndirect\n0.749998 0.750000 0.750000 Be\n0.249999 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Be",
"B"
],
"chemical_system": "B-Be",
"density": 1.9968954195842037,
"density_atomic": 0.12511288538502016,
"volume": 23.97834556183285,
"volume_molar": 4.813365738842624,
"formula_full": "Be2 B1",
"formula_reduced": "Be2B",
"formula_anonymous": "AB2",
"energy_above_hull": 2.406064927777778,
"spacegroup": 225
},
{
"id": "jvasp-116710",
"created_at": "2022-09-04T14:38:45.018674Z",
"updated_at": "2022-09-04T14:38:45.018701Z",
"structure_string": "Be2 B1 H3 O5\n1.0\n4.438238 -0.002348 0.058709\n-2.219286 3.859425 -0.180725\n0.022628 0.015050 5.280912\nBe B H O\n2 1 3 5\ndirect\n0.326825 0.657434 0.393325 Be\n0.665365 0.334951 0.599649 Be\n0.995601 0.995044 0.501420 B\n0.542849 0.466207 0.992227 H\n0.927199 0.469895 0.989694 H\n0.434309 0.869235 0.016131 H\n0.678586 0.353872 0.914628 O\n0.305591 -0.004365 0.506901 O\n0.686510 0.685653 0.498995 O\n-0.004651 0.303487 0.498774 O\n0.313413 0.637179 0.087439 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Be",
"B",
"H",
"O"
],
"chemical_system": "B-Be-H-O",
"density": 2.053880310371502,
"density_atomic": 0.12163504497235897,
"volume": 90.4344632132927,
"volume_molar": 4.9509915184135505,
"formula_full": "Be2 B1 H3 O5",
"formula_reduced": "Be2BH3O5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 2.8763592984848483,
"spacegroup": 1
},
{
"id": "jvasp-90808",
"created_at": "2022-09-04T14:36:13.841264Z",
"updated_at": "2022-09-04T14:36:13.841297Z",
"structure_string": "Be2 B1 O5\n1.0\n-2.254217 -3.865068 -0.217313\n-2.220138 3.845393 0.000000\n-0.244458 -0.141138 -4.830636\nBe B O\n2 1 5\ndirect\n0.348688 0.675162 0.898324 Be\n0.651314 0.326475 0.101676 Be\n-0.000000 -0.000094 0.000000 B\n0.388461 0.692900 0.554439 O\n0.611542 0.304440 0.445561 O\n0.695708 0.693500 0.990009 O\n0.304294 -0.002206 0.009991 O\n0.000000 0.309824 -0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Be",
"B",
"O"
],
"chemical_system": "B-Be-O",
"density": 2.1759677855036625,
"density_atomic": 0.09632417282092301,
"volume": 83.05288034887006,
"volume_molar": 6.251951699804168,
"formula_full": "Be2 B1 O5",
"formula_reduced": "Be2BO5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.7100202854166664,
"spacegroup": 5
},
{
"id": "jvasp-74532",
"created_at": "2022-09-04T14:35:59.895310Z",
"updated_at": "2022-09-04T14:35:59.895331Z",
"structure_string": "Be2 Bi1 Br1\n1.0\n3.850573 0.000000 -0.000000\n0.000000 3.850573 0.000000\n0.000000 -0.000000 5.395490\nBe Bi Br\n2 1 1\ndirect\n0.000000 0.000000 -0.113944 Be\n0.500000 0.500000 0.317777 Be\n-0.000000 0.000000 0.394854 Bi\n0.500000 0.500000 0.901314 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Bi",
"Br"
],
"chemical_system": "Be-Bi-Br",
"density": 6.370547719475818,
"density_atomic": 0.05000096393237994,
"volume": 79.99845773792482,
"volume_molar": 12.044049327017362,
"formula_full": "Be2 Bi1 Br1",
"formula_reduced": "Be2BiBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.20178765125,
"spacegroup": 99
},
{
"id": "jvasp-71075",
"created_at": "2022-09-04T14:36:01.490176Z",
"updated_at": "2022-09-04T14:36:01.490199Z",
"structure_string": "Be2 Bi1 Br1\n1.0\n4.957145 0.000000 0.000000\n0.000000 4.957145 0.000000\n-0.000000 0.000000 3.296331\nBe Bi Br\n2 1 1\ndirect\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.500000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Bi",
"Br"
],
"chemical_system": "Be-Bi-Br",
"density": 6.291646707905221,
"density_atomic": 0.04938168803845502,
"volume": 81.00168623002678,
"volume_molar": 12.195088906864376,
"formula_full": "Be2 Bi1 Br1",
"formula_reduced": "Be2BiBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.30655765125,
"spacegroup": 123
},
{
"id": "jvasp-70558",
"created_at": "2022-09-04T14:36:16.172332Z",
"updated_at": "2022-09-04T14:36:16.172362Z",
"structure_string": "Be2 Bi1 Br1\n1.0\n-1.807123 1.807123 7.087074\n1.807123 -1.807123 7.087074\n1.807123 1.807123 -7.087074\nBe Bi Br\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Bi\n0.749999 0.250000 0.499999 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Bi",
"Br"
],
"chemical_system": "Be-Bi-Br",
"density": 5.504983252526755,
"density_atomic": 0.043207347496424436,
"volume": 92.57684703581988,
"volume_molar": 13.937770099167402,
"formula_full": "Be2 Bi1 Br1",
"formula_reduced": "Be2BiBr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.28648765125,
"spacegroup": 119
}
]
}