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_anonymous&page=991",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=989",
"results": [
{
"id": "jvasp-2631",
"created_at": "2022-09-04T14:36:58.339475Z",
"updated_at": "2022-09-04T14:36:58.339498Z",
"structure_string": "Th2 Se1 N2\n1.0\n2.024220 -3.506051 0.000000\n2.024220 3.506051 0.000000\n0.000000 0.000000 7.199295\nTh Se N\n2 1 2\ndirect\n0.666667 0.333333 0.704546 Th\n0.333333 0.666667 0.295454 Th\n0.000000 0.000000 0.000000 Se\n0.333333 0.666667 0.627651 N\n0.666667 0.333333 0.372350 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Th",
"Se",
"N"
],
"chemical_system": "N-Se-Th",
"density": 9.27955098444548,
"density_atomic": 0.04892987410026992,
"volume": 102.18706039900515,
"volume_molar": 12.307697231468614,
"formula_full": "Th2 Se1 N2",
"formula_reduced": "Th2SeN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.509576213333333,
"spacegroup": 164
},
{
"id": "jvasp-107583",
"created_at": "2022-09-04T14:36:58.660989Z",
"updated_at": "2022-09-04T14:36:58.661013Z",
"structure_string": "Ba2 Mn4 N4\n1.0\n4.397121 -0.000000 4.720846\n4.397122 4.397121 0.000000\n0.000000 -0.000000 9.441692\nBa Mn N\n2 4 4\ndirect\n-0.000000 0.000000 0.250000 Ba\n-0.000000 0.000000 0.750000 Ba\n0.729057 0.500000 0.635472 Mn\n0.270942 0.500000 0.364528 Mn\n0.270942 0.229057 0.864528 Mn\n0.729057 0.770942 0.135472 Mn\n0.680342 0.500000 0.159829 N\n0.319657 0.500000 0.840171 N\n0.319657 0.180343 0.340171 N\n0.680342 0.819657 0.659829 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"N"
],
"chemical_system": "Ba-Mn-N",
"density": 5.006876536673334,
"density_atomic": 0.054778903840769215,
"volume": 182.55202822363702,
"volume_molar": 10.99354009986235,
"formula_full": "Ba2 Mn4 N4",
"formula_reduced": "Ba(MnN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.872807390551724,
"spacegroup": 140
},
{
"id": "jvasp-15468",
"created_at": "2022-09-04T14:36:50.760854Z",
"updated_at": "2022-09-04T14:36:50.760883Z",
"structure_string": "Ba1 Fe2 P2\n1.0\n3.672589 -0.000000 -1.083069\n-0.319403 3.658674 -1.083069\n-0.009131 -0.009963 6.737280\nBa Fe P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250001 0.750000 0.500000 Fe\n0.750001 0.250000 0.500000 Fe\n0.660727 0.660726 0.321454 P\n0.339274 0.339274 0.678546 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"P"
],
"chemical_system": "Ba-Fe-P",
"density": 5.708995525529512,
"density_atomic": 0.055280220107728456,
"volume": 90.44826504409983,
"volume_molar": 10.893843671867135,
"formula_full": "Ba1 Fe2 P2",
"formula_reduced": "Ba(FeP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.500971594,
"spacegroup": 139
},
{
"id": "jvasp-12912",
"created_at": "2022-09-04T14:36:50.652813Z",
"updated_at": "2022-09-04T14:36:50.652831Z",
"structure_string": "Ga4 Te2 Se4\n1.0\n6.416224 -0.000000 -3.598209\n-2.017871 6.090659 -3.598209\n-0.016503 -0.022853 7.490290\nGa Te Se\n4 2 4\ndirect\n0.426152 0.652230 0.852304 Ga\n0.450073 0.176152 0.352303 Ga\n0.902229 0.176152 0.352303 Ga\n0.426152 0.200074 0.852304 Ga\n0.023998 0.023998 0.047995 Te\n0.273998 0.773998 0.547995 Te\n0.652350 0.901537 0.304700 Se\n0.653163 0.402350 0.804700 Se\n0.151538 0.402350 0.804700 Se\n0.652350 0.403163 0.304700 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ga",
"Te",
"Se"
],
"chemical_system": "Ga-Se-Te",
"density": 4.839040589356276,
"density_atomic": 0.03428672362321632,
"volume": 291.65808054137824,
"volume_molar": 17.564060148115967,
"formula_full": "Ga4 Te2 Se4",
"formula_reduced": "Ga2TeSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.50135983,
"spacegroup": 109
},
{
"id": "jvasp-106648",
"created_at": "2022-09-04T14:37:02.085552Z",
"updated_at": "2022-09-04T14:37:02.085572Z",
"structure_string": "Sm4 Mg2 Ni4\n1.0\n7.402045 -0.000000 0.000000\n0.000000 7.402045 0.000000\n-0.000000 -0.000000 3.792368\nSm Mg Ni\n4 2 4\ndirect\n0.673183 0.173182 0.500000 Sm\n0.326818 0.826818 0.500000 Sm\n0.173182 0.326818 0.500000 Sm\n0.826818 0.673183 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.121463 0.621463 -0.000000 Ni\n0.878538 0.378537 -0.000000 Ni\n0.621463 0.878538 -0.000000 Ni\n0.378537 0.121463 -0.000000 Ni\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Sm",
"density": 7.071179790860814,
"density_atomic": 0.04812670011802033,
"volume": 207.7848673496658,
"volume_molar": 12.513097189776156,
"formula_full": "Sm4 Mg2 Ni4",
"formula_reduced": "Sm2MgNi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.8290683200000001,
"spacegroup": 127
},
{
"id": "jvasp-15580",
"created_at": "2022-09-04T14:36:45.073617Z",
"updated_at": "2022-09-04T14:36:45.073640Z",
"structure_string": "Ce1 Si2 Cu2\n1.0\n3.823964 -0.000000 -1.457549\n-0.555562 3.783392 -1.457549\n-0.006257 -0.007242 5.728555\nCe Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.620305 0.620306 0.240611 Si\n0.379693 0.379694 0.759387 Si\n0.749999 0.250000 0.499999 Cu\n0.250000 0.750000 0.499999 Cu\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Si",
"Cu"
],
"chemical_system": "Ce-Cu-Si",
"density": 6.485507183787408,
"density_atomic": 0.06038833253590384,
"volume": 82.79745093188744,
"volume_molar": 9.972358081620387,
"formula_full": "Ce1 Si2 Cu2",
"formula_reduced": "Ce(CuSi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.51293872,
"spacegroup": 139
},
{
"id": "jvasp-2991",
"created_at": "2022-09-04T14:36:57.709489Z",
"updated_at": "2022-09-04T14:36:57.709515Z",
"structure_string": "Ca1 Mg2 As2\n1.0\n2.177059 -3.770776 0.000000\n2.177059 3.770776 0.000000\n0.000000 0.000000 7.103615\nCa Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333333 0.634407 Mg\n0.333333 0.666668 0.365592 Mg\n0.333333 0.666668 0.751550 As\n0.666668 0.333333 0.248449 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"As"
],
"chemical_system": "As-Ca-Mg",
"density": 3.3961271836561773,
"density_atomic": 0.04287060968524795,
"volume": 116.63001848374766,
"volume_molar": 14.047247763010603,
"formula_full": "Ca1 Mg2 As2",
"formula_reduced": "Ca(MgAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3237344039999997,
"spacegroup": 164
},
{
"id": "jvasp-15300",
"created_at": "2022-09-04T14:36:58.921803Z",
"updated_at": "2022-09-04T14:36:58.921823Z",
"structure_string": "Nd1 Si2 Ni2\n1.0\n3.800371 0.000000 -1.468783\n-0.567661 3.757737 -1.468783\n-0.015854 -0.018429 5.609964\nNd Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.630790 0.630790 0.261581 Si\n0.369211 0.369211 0.738420 Si\n0.750000 0.250000 0.500000 Ni\n0.250001 0.750001 0.500001 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Si",
"Ni"
],
"chemical_system": "Nd-Ni-Si",
"density": 6.603998801534447,
"density_atomic": 0.06257116960969684,
"volume": 79.9090065151209,
"volume_molar": 9.624465704516302,
"formula_full": "Nd1 Si2 Ni2",
"formula_reduced": "Nd(SiNi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.9690327,
"spacegroup": 139
},
{
"id": "jvasp-2763",
"created_at": "2022-09-04T14:36:58.556613Z",
"updated_at": "2022-09-04T14:36:58.556641Z",
"structure_string": "Ba1 Mg2 As2\n1.0\n2.247716 -3.893158 0.000000\n2.247716 3.893158 0.000000\n0.000000 0.000000 7.757581\nBa Mg As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333334 0.376427 Mg\n0.333334 0.666668 0.623573 Mg\n0.666668 0.333334 0.726748 As\n0.333334 0.666668 0.273252 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"As"
],
"chemical_system": "As-Ba-Mg",
"density": 4.10680800418141,
"density_atomic": 0.03682732913379331,
"volume": 135.76873798898234,
"volume_molar": 16.35236901954422,
"formula_full": "Ba1 Mg2 As2",
"formula_reduced": "Ba(MgAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.365063514,
"spacegroup": 164
},
{
"id": "jvasp-16172",
"created_at": "2022-09-04T14:36:58.346619Z",
"updated_at": "2022-09-04T14:36:58.346649Z",
"structure_string": "Ca1 Al2 Ga2\n1.0\n4.006688 0.000000 -1.450556\n-0.525151 3.972124 -1.450556\n0.012644 0.014426 6.293786\nCa Al Ga\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.387395 0.387396 0.774792 Ga\n0.612605 0.612604 0.225207 Ga\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Ga"
],
"chemical_system": "Al-Ca-Ga",
"density": 3.864250068206004,
"density_atomic": 0.04983371698701049,
"volume": 100.33367571805421,
"volume_molar": 12.08447036284633,
"formula_full": "Ca1 Al2 Ga2",
"formula_reduced": "Ca(AlGa)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.3607141340000002,
"spacegroup": 139
},
{
"id": "jvasp-8507",
"created_at": "2022-09-04T14:36:50.200631Z",
"updated_at": "2022-09-04T14:36:50.200662Z",
"structure_string": "Ce1 Ni2 Sn2\n1.0\n4.116523 0.000000 -1.652757\n-0.663571 4.062688 -1.652757\n0.043178 0.050802 6.060433\nCe Ni Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.750000 0.250000 0.499999 Ni\n0.250000 0.750000 0.499999 Ni\n0.636345 0.636345 0.272688 Sn\n0.363656 0.363655 0.727311 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Ni",
"Sn"
],
"chemical_system": "Ce-Ni-Sn",
"density": 8.053541770916699,
"density_atomic": 0.048997098312868644,
"volume": 102.04685934813399,
"volume_molar": 12.290811022207697,
"formula_full": "Ce1 Ni2 Sn2",
"formula_reduced": "Ce(NiSn)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.99638074,
"spacegroup": 139
},
{
"id": "jvasp-11529",
"created_at": "2022-09-04T14:36:45.261853Z",
"updated_at": "2022-09-04T14:36:45.261887Z",
"structure_string": "Mg4 Sn2 N4\n1.0\n4.073079 -0.003074 0.003305\n-2.032369 5.294188 -0.119999\n-0.007085 -2.249955 6.657423\nMg Sn N\n4 2 4\ndirect\n0.320835 0.666826 0.478329 Mg\n0.654399 0.333931 0.520121 Mg\n0.980886 0.982464 0.295911 Mg\n0.998765 0.018276 0.702553 Mg\n0.725433 0.338965 0.078355 Sn\n0.386847 0.661751 0.920095 Sn\n0.820852 0.669334 0.411984 N\n0.151875 0.331411 0.586473 N\n0.468213 0.967361 0.779465 N\n0.501256 0.033363 0.218999 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"N"
],
"chemical_system": "Mg-N-Sn",
"density": 4.554568668586879,
"density_atomic": 0.07020881639492936,
"volume": 142.43225443011772,
"volume_molar": 8.577470849423026,
"formula_full": "Mg4 Sn2 N4",
"formula_reduced": "Mg2SnN2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.82136526,
"spacegroup": 5
}
]
}