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=nelements&page=587",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=585",
"results": [
{
"id": "jvasp-113662",
"created_at": "2022-09-04T14:38:48.159002Z",
"updated_at": "2022-09-04T14:38:48.159026Z",
"structure_string": "Li1 Br2\n1.0\n4.219697 0.713139 -0.046354\n-1.140942 -5.632288 -0.052105\n0.322959 3.260294 -3.415423\nLi Br\n1 2\ndirect\n-0.012117 0.031606 0.027075 Li\n0.132932 0.885436 0.381237 Br\n0.618170 0.400422 0.396326 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"Br"
],
"chemical_system": "Br-Li",
"density": 3.4967094471903812,
"density_atomic": 0.03788510245053227,
"volume": 79.18679918886828,
"volume_molar": 15.895801701640618,
"formula_full": "Li1 Br2",
"formula_reduced": "LiBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2341847016666666,
"spacegroup": 5
},
{
"id": "jvasp-116312",
"created_at": "2022-09-04T14:38:30.690893Z",
"updated_at": "2022-09-04T14:38:30.690921Z",
"structure_string": "Li1 Se3\n1.0\n4.374430 0.443122 -0.461998\n-1.452789 -3.749318 0.311620\n0.295267 -0.591882 -5.801613\nLi Se\n1 3\ndirect\n0.274032 0.640678 0.653675 Li\n-0.039035 -0.029243 0.453471 Se\n0.270063 0.477142 0.155133 Se\n0.583190 0.282213 0.859260 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Se"
],
"chemical_system": "Li-Se",
"density": 4.431780602217732,
"density_atomic": 0.04378426241089296,
"volume": 91.35702601226991,
"volume_molar": 13.754121751521772,
"formula_full": "Li1 Se3",
"formula_reduced": "LiSe3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.111767525,
"spacegroup": 5
},
{
"id": "jvasp-116073",
"created_at": "2022-09-04T14:38:40.499938Z",
"updated_at": "2022-09-04T14:38:40.499966Z",
"structure_string": "O1 F2\n1.0\n3.876683 0.040409 0.050446\n-1.463451 -3.199467 -0.594914\n0.654549 0.291533 -3.203838\nO F\n1 2\ndirect\n0.890702 0.463533 0.844660 O\n0.184948 0.362542 0.601885 F\n0.611240 0.074459 0.069179 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"O",
"F"
],
"chemical_system": "F-O",
"density": 2.2254629719710493,
"density_atomic": 0.0744610714615447,
"volume": 40.28950888182351,
"volume_molar": 8.087636454587045,
"formula_full": "O1 F2",
"formula_reduced": "OF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6247980216666669,
"spacegroup": 1
},
{
"id": "jvasp-114151",
"created_at": "2022-09-04T14:38:40.483578Z",
"updated_at": "2022-09-04T14:38:40.483604Z",
"structure_string": "Ti1 C2\n1.0\n3.678272 0.000000 0.000000\n-1.839136 3.185477 0.000000\n-0.000000 -0.000000 3.247939\nTi C\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666668 0.000000 C\n0.666667 0.333334 0.000000 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"C"
],
"chemical_system": "C-Ti",
"density": 3.1367632141633903,
"density_atomic": 0.07883064421941491,
"volume": 38.05626643935432,
"volume_molar": 7.63933977659519,
"formula_full": "Ti1 C2",
"formula_reduced": "TiC2",
"formula_anonymous": "AB2",
"energy_above_hull": 5.379399444444444,
"spacegroup": 191
},
{
"id": "jvasp-19705",
"created_at": "2022-09-04T14:38:32.164421Z",
"updated_at": "2022-09-04T14:38:32.164441Z",
"structure_string": "Fe1 Ni3\n1.0\n3.538267 0.000000 0.000000\n0.000000 3.538267 0.000000\n-0.000000 -0.000000 3.538267\nFe Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Fe",
"Ni"
],
"chemical_system": "Fe-Ni",
"density": 8.694112015277963,
"density_atomic": 0.09030009047279844,
"volume": 44.29674410132447,
"volume_molar": 6.669030704696891,
"formula_full": "Fe1 Ni3",
"formula_reduced": "FeNi3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.613998175,
"spacegroup": 221
},
{
"id": "jvasp-118101",
"created_at": "2022-09-04T14:38:48.143652Z",
"updated_at": "2022-09-04T14:38:48.143667Z",
"structure_string": "Cl1 O1\n1.0\n3.659483 0.000000 -0.000000\n-1.829742 3.169205 0.000000\n-0.000000 -0.000000 3.424421\nCl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Cl\n0.333333 0.666668 0.000000 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cl",
"O"
],
"chemical_system": "Cl-O",
"density": 2.1512828578415095,
"density_atomic": 0.05035849907477094,
"volume": 39.715242446572006,
"volume_molar": 11.95853901653917,
"formula_full": "Cl1 O1",
"formula_reduced": "ClO",
"formula_anonymous": "AB",
"energy_above_hull": 1.39627878375,
"spacegroup": 187
},
{
"id": "jvasp-115773",
"created_at": "2022-09-04T14:38:40.462263Z",
"updated_at": "2022-09-04T14:38:40.462286Z",
"structure_string": "Si1 C1\n1.0\n2.786626 0.000000 0.000000\n0.000000 2.786626 -0.000000\n0.000000 0.000000 2.641418\nSi C\n1 1\ndirect\n0.500002 0.500002 0.000000 Si\n0.000000 0.000000 0.000000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Si",
"C"
],
"chemical_system": "C-Si",
"density": 3.2460694716089598,
"density_atomic": 0.09750693223559065,
"volume": 20.511362158002417,
"volume_molar": 6.176115504741396,
"formula_full": "Si1 C1",
"formula_reduced": "SiC",
"formula_anonymous": "AB",
"energy_above_hull": 3.5830043,
"spacegroup": 123
},
{
"id": "jvasp-16672",
"created_at": "2022-09-04T14:38:32.182129Z",
"updated_at": "2022-09-04T14:38:32.182164Z",
"structure_string": "Ce1 Ag1\n1.0\n3.170514 0.000000 0.000000\n-0.000000 3.170514 0.000000\n0.000000 -0.000000 4.614599\nCe Ag\n1 1\ndirect\n0.499999 0.499999 0.500000 Ce\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Ag"
],
"chemical_system": "Ag-Ce",
"density": 8.8772773894857,
"density_atomic": 0.043115822720578914,
"volume": 46.386682980895834,
"volume_molar": 13.967356715022555,
"formula_full": "Ce1 Ag1",
"formula_reduced": "CeAg",
"formula_anonymous": "AB",
"energy_above_hull": 0.58759638,
"spacegroup": 123
},
{
"id": "jvasp-31301",
"created_at": "2022-09-04T14:38:32.182869Z",
"updated_at": "2022-09-04T14:38:32.182880Z",
"structure_string": "N4 O10\n1.0\n2.715604 -4.703563 -0.000000\n2.715604 4.703563 0.000000\n-0.000000 0.000000 6.399361\nN O\n4 10\ndirect\n0.333332 0.666666 0.250000 N\n0.000000 0.000000 0.750000 N\n0.666666 0.333332 0.750000 N\n0.000000 0.000000 0.250000 N\n0.666666 0.333332 0.571883 O\n0.333332 0.666666 0.428117 O\n0.135003 0.864995 0.750000 O\n0.333332 0.666666 0.071883 O\n0.135003 0.270007 0.750000 O\n0.864995 0.135003 0.250000 O\n0.270007 0.135003 0.250000 O\n0.729992 0.864995 0.750000 O\n0.666666 0.333332 0.928117 O\n0.864995 0.729992 0.250000 O\n",
"nsites": 14,
"nelements": 2,
"elements": [
"N",
"O"
],
"chemical_system": "N-O",
"density": 2.194242671644896,
"density_atomic": 0.08563829746364572,
"volume": 163.47826164973836,
"volume_molar": 7.0320650203916735,
"formula_full": "N4 O10",
"formula_reduced": "N2O5",
"formula_anonymous": "A2B5",
"energy_above_hull": 3.630107714285714,
"spacegroup": 194
},
{
"id": "jvasp-55032",
"created_at": "2022-09-04T14:38:32.196742Z",
"updated_at": "2022-09-04T14:38:32.196766Z",
"structure_string": "Ca4 Cl8\n1.0\n4.383541 0.000000 0.000000\n-0.000000 7.218093 0.000000\n0.000000 0.000000 8.676430\nCa Cl\n4 8\ndirect\n0.250000 0.757506 0.896690 Ca\n0.250000 0.257506 0.603310 Ca\n0.750000 0.242493 0.103310 Ca\n0.750000 0.742493 0.396690 Ca\n0.750000 0.141199 0.419687 Cl\n0.250000 0.358800 0.919687 Cl\n0.250000 -0.141199 0.580313 Cl\n0.750000 0.641199 0.080313 Cl\n0.750000 0.012901 0.839650 Cl\n0.250000 -0.012901 0.160350 Cl\n0.750000 0.512901 0.660350 Cl\n0.250000 0.487098 0.339650 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ca",
"Cl"
],
"chemical_system": "Ca-Cl",
"density": 2.6852260298767683,
"density_atomic": 0.04371119025243859,
"volume": 274.5292436718887,
"volume_molar": 13.77711456773711,
"formula_full": "Ca4 Cl8",
"formula_reduced": "CaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0097866666666665,
"spacegroup": 62
},
{
"id": "jvasp-20117",
"created_at": "2022-09-04T14:38:30.599620Z",
"updated_at": "2022-09-04T14:38:30.599647Z",
"structure_string": "Nb5 Ga13\n1.0\n3.776151 0.000000 -0.353696\n0.000000 3.781084 0.000000\n0.021340 0.000000 20.562308\nNb Ga\n5 13\ndirect\n0.500000 0.000000 -0.000000 Nb\n0.284266 0.000000 0.568534 Nb\n0.892309 0.500000 0.784617 Nb\n0.107691 0.500000 0.215383 Nb\n0.715733 0.000000 0.431466 Nb\n0.771517 0.500000 0.543035 Ga\n0.387978 0.000000 0.775955 Ga\n0.612022 0.000000 0.224045 Ga\n0.164830 0.000000 0.329661 Ga\n0.445213 0.500000 0.890428 Ga\n0.945406 0.000000 0.890814 Ga\n0.000000 0.500000 0.000000 Ga\n0.228483 0.500000 0.456965 Ga\n0.664387 0.500000 0.328774 Ga\n0.335613 0.500000 0.671226 Ga\n0.554787 0.500000 0.109572 Ga\n0.054593 0.000000 0.109186 Ga\n0.835169 0.000000 0.670339 Ga\n",
"nsites": 18,
"nelements": 2,
"elements": [
"Nb",
"Ga"
],
"chemical_system": "Ga-Nb",
"density": 7.753270025306845,
"density_atomic": 0.061304556069076685,
"volume": 293.6160239007029,
"volume_molar": 9.823316807341984,
"formula_full": "Nb5 Ga13",
"formula_reduced": "Nb5Ga13",
"formula_anonymous": "A5B13",
"energy_above_hull": 1.5037420680555555,
"spacegroup": 65
},
{
"id": "jvasp-112476",
"created_at": "2022-09-04T14:38:40.462480Z",
"updated_at": "2022-09-04T14:38:40.462493Z",
"structure_string": "Th4 P8\n1.0\n3.881110 -0.000000 0.000000\n0.000000 7.230209 0.000000\n0.000000 0.000000 9.459084\nTh P\n4 8\ndirect\n0.250000 0.299828 0.847338 Th\n0.250000 0.799828 0.652661 Th\n0.750000 0.700172 0.152661 Th\n0.750000 0.200172 0.347339 Th\n0.250000 0.914542 0.960497 P\n0.250000 0.414541 0.539503 P\n0.750000 0.085459 0.039503 P\n0.750000 0.585459 0.460497 P\n0.250000 0.895954 0.339291 P\n0.250000 0.395954 0.160709 P\n0.750000 0.104046 0.660708 P\n0.750000 0.604046 0.839291 P\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Th",
"P"
],
"chemical_system": "P-Th",
"density": 7.356635491445828,
"density_atomic": 0.045209047867607634,
"volume": 265.4335927432354,
"volume_molar": 13.320653816102316,
"formula_full": "Th4 P8",
"formula_reduced": "ThP2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.360645533333334,
"spacegroup": 62
}
]
}