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=4481",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4479",
"results": [
{
"id": "jvasp-106173",
"created_at": "2022-09-04T14:36:08.638934Z",
"updated_at": "2022-09-04T14:36:08.638952Z",
"structure_string": "Nb1 Cr1 F6\n1.0\n4.992121 -0.000000 -2.757288\n-1.522927 4.754151 -2.757288\n-0.108801 -0.149100 5.700820\nNb Cr F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 -0.000001 Cr\n0.746976 0.746976 0.493950 F\n0.253023 0.253023 0.506049 F\n0.253121 0.253121 -0.000000 F\n0.746879 0.253121 -0.000001 F\n0.253120 0.746879 -0.000001 F\n0.746878 0.746879 -0.000001 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"F"
],
"chemical_system": "Cr-F-Nb",
"density": 3.2768247750222064,
"density_atomic": 0.0609781113621475,
"volume": 131.19461756511606,
"volume_molar": 9.875905674143718,
"formula_full": "Nb1 Cr1 F6",
"formula_reduced": "NbCrF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.028014811875,
"spacegroup": 225
},
{
"id": "jvasp-93206",
"created_at": "2022-09-04T14:36:17.259411Z",
"updated_at": "2022-09-04T14:36:17.259437Z",
"structure_string": "Mg6 Ti1 Sb1\n1.0\n6.257049 0.074857 0.000000\n-3.063696 5.456191 0.000000\n0.000000 0.000000 5.069607\nMg Ti Sb\n6 1 1\ndirect\n0.162213 0.820657 0.250000 Mg\n0.679343 0.337787 0.250000 Mg\n0.664976 0.835024 0.250000 Mg\n0.330486 0.663471 0.750001 Mg\n0.836529 0.169514 0.750001 Mg\n0.831232 0.668768 0.750001 Mg\n0.170842 0.329158 0.250000 Ti\n0.324378 0.175622 0.750001 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Sb"
],
"chemical_system": "Mg-Sb-Ti",
"density": 3.0064096598118035,
"density_atomic": 0.04591439634528219,
"volume": 174.23729019192515,
"volume_molar": 13.11601858970926,
"formula_full": "Mg6 Ti1 Sb1",
"formula_reduced": "Mg6TiSb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0473160916666666,
"spacegroup": 38
},
{
"id": "jvasp-94140",
"created_at": "2022-09-04T14:36:14.249000Z",
"updated_at": "2022-09-04T14:36:14.249012Z",
"structure_string": "Ba1 Mg6 Ni1\n1.0\n7.666889 0.973124 0.000000\n-2.990693 5.180032 0.000000\n0.000000 0.000000 4.928683\nBa Mg Ni\n1 6 1\ndirect\n0.089246 0.794623 0.250000 Ba\n0.612320 0.299984 0.250000 Mg\n0.612320 0.812333 0.250000 Mg\n0.347413 0.188197 0.750000 Mg\n0.347413 0.659216 0.750000 Mg\n0.918085 0.209042 0.750000 Mg\n0.746750 0.623374 0.750000 Mg\n0.326453 0.413226 0.250000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Ni"
],
"chemical_system": "Ba-Mg-Ni",
"density": 2.7020255290015456,
"density_atomic": 0.038079763729126,
"volume": 210.085337107306,
"volume_molar": 15.814543395903103,
"formula_full": "Ba1 Mg6 Ni1",
"formula_reduced": "BaMg6Ni",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-92866",
"created_at": "2022-09-04T14:36:14.301248Z",
"updated_at": "2022-09-04T14:36:14.301271Z",
"structure_string": "Mg6 Nb1 Bi1\n1.0\n6.326771 0.120120 0.000000\n-3.059358 5.298930 0.000000\n0.000000 0.000000 5.235451\nMg Nb Bi\n6 1 1\ndirect\n0.664434 0.328854 0.250000 Mg\n0.664435 0.835580 0.250000 Mg\n0.336179 0.182830 0.750000 Mg\n0.336182 0.653352 0.750000 Mg\n0.851423 0.175712 0.750000 Mg\n0.820402 0.660202 0.750000 Mg\n0.166890 0.333444 0.250000 Nb\n0.160054 0.830026 0.250000 Bi\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Nb",
"Bi"
],
"chemical_system": "Bi-Mg-Nb",
"density": 4.189801012568335,
"density_atomic": 0.045084879709528035,
"volume": 177.44308183901654,
"volume_molar": 13.357340196534466,
"formula_full": "Mg6 Nb1 Bi1",
"formula_reduced": "Mg6NbBi",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.2030409999999999,
"spacegroup": 38
},
{
"id": "jvasp-94153",
"created_at": "2022-09-04T14:36:09.778846Z",
"updated_at": "2022-09-04T14:36:09.778874Z",
"structure_string": "Mg6 Cu1 Mo1\n1.0\n6.077965 0.025174 0.000000\n-3.017181 5.225911 0.000000\n0.000000 0.000000 4.749905\nMg Cu Mo\n6 1 1\ndirect\n0.657335 0.330590 0.250000 Mg\n0.657335 0.826743 0.250000 Mg\n0.324631 0.154402 0.749999 Mg\n0.324631 0.670230 0.749999 Mg\n0.860004 0.180002 0.749999 Mg\n0.851836 0.675919 0.749999 Mg\n0.168455 0.334228 0.250000 Cu\n0.155769 0.827883 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Mo"
],
"chemical_system": "Cu-Mg-Mo",
"density": 3.352403201241882,
"density_atomic": 0.05289901340022793,
"volume": 151.2315539700695,
"volume_molar": 11.384221317016193,
"formula_full": "Mg6 Cu1 Mo1",
"formula_reduced": "Mg6CuMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0942038312499999,
"spacegroup": 38
},
{
"id": "jvasp-91809",
"created_at": "2022-09-04T14:36:14.361253Z",
"updated_at": "2022-09-04T14:36:14.361278Z",
"structure_string": "Li1 Ru1 F6\n1.0\n-2.493827 -4.319436 0.000000\n2.493827 -4.319436 0.000000\n-0.000000 -2.879624 4.538593\nLi Ru F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ru\n0.894420 0.624467 0.240922 F\n0.624467 0.240193 0.240922 F\n0.240193 0.894420 0.240922 F\n0.105581 0.375534 0.759077 F\n0.375534 0.759808 0.759077 F\n0.759808 0.105581 0.759077 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ru",
"F"
],
"chemical_system": "F-Li-Ru",
"density": 3.770164045756493,
"density_atomic": 0.08181734571427589,
"volume": 97.77877698376764,
"volume_molar": 7.360469479211212,
"formula_full": "Li1 Ru1 F6",
"formula_reduced": "LiRuF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.351335274375,
"spacegroup": 148
},
{
"id": "jvasp-93202",
"created_at": "2022-09-04T14:36:08.791382Z",
"updated_at": "2022-09-04T14:36:08.791405Z",
"structure_string": "Mg6 Ti1 B1\n1.0\n6.670008 0.610803 0.000000\n-2.806033 4.860192 0.000000\n0.000000 0.000000 4.451564\nMg Ti B\n6 1 1\ndirect\n0.618702 0.310482 0.250000 Mg\n0.618702 0.808217 0.250000 Mg\n0.325781 0.160132 0.749999 Mg\n0.325781 0.665649 0.749999 Mg\n0.831778 0.165889 0.749999 Mg\n0.909258 0.704628 0.749999 Mg\n0.130270 0.315134 0.250000 Ti\n0.239731 0.869865 0.250000 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"B"
],
"chemical_system": "B-Mg-Ti",
"density": 2.235074490297291,
"density_atomic": 0.05265293560860996,
"volume": 151.93834697968515,
"volume_molar": 11.437426404417309,
"formula_full": "Mg6 Ti1 B1",
"formula_reduced": "Mg6TiB",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.5112644020833333,
"spacegroup": 38
},
{
"id": "jvasp-85434",
"created_at": "2022-09-04T14:36:20.646414Z",
"updated_at": "2022-09-04T14:36:20.646444Z",
"structure_string": "Cu1 Mo1 F6\n1.0\n5.021016 0.054995 0.033478\n2.448438 3.694441 2.362794\n-0.031421 -0.112178 5.540358\nCu Mo F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 -0.000001 0.500001 Mo\n0.737161 0.849719 0.261060 F\n0.262841 0.150279 0.738941 F\n0.586587 0.524869 0.738731 F\n0.413415 0.475129 0.261270 F\n0.111595 0.151163 0.261508 F\n0.888408 0.848835 0.738493 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cu",
"Mo",
"F"
],
"chemical_system": "Cu-F-Mo",
"density": 4.394059900102583,
"density_atomic": 0.07740820159293316,
"volume": 103.34822196321824,
"volume_molar": 7.779719249477797,
"formula_full": "Cu1 Mo1 F6",
"formula_reduced": "CuMoF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.398028505625,
"spacegroup": 148
},
{
"id": "jvasp-94762",
"created_at": "2022-09-04T14:36:14.453962Z",
"updated_at": "2022-09-04T14:36:14.453980Z",
"structure_string": "Mg6 Al1 Mo1\n1.0\n6.174605 -0.029192 0.000000\n-3.112583 5.332768 0.000000\n0.000000 0.000000 4.801894\nMg Al Mo\n6 1 1\ndirect\n0.176628 0.847613 0.250000 Mg\n0.652388 0.323372 0.250000 Mg\n0.668914 0.831087 0.250000 Mg\n0.327166 0.666338 0.749999 Mg\n0.833663 0.172835 0.749999 Mg\n0.831786 0.668215 0.749999 Mg\n0.187677 0.312324 0.250000 Al\n0.321781 0.178219 0.749999 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Mo"
],
"chemical_system": "Al-Mg-Mo",
"density": 2.8302557980766303,
"density_atomic": 0.0507359292452846,
"volume": 157.67918552006262,
"volume_molar": 11.869578126549635,
"formula_full": "Mg6 Al1 Mo1",
"formula_reduced": "Mg6AlMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3917241249999999,
"spacegroup": 38
},
{
"id": "jvasp-92899",
"created_at": "2022-09-04T14:36:14.471724Z",
"updated_at": "2022-09-04T14:36:14.471750Z",
"structure_string": "Mg6 Sb1 Mo1\n1.0\n6.098076 0.084399 0.000000\n-2.975946 5.323288 0.000000\n0.000000 0.000000 5.002929\nMg Sb Mo\n6 1 1\ndirect\n0.161357 0.824855 0.250000 Mg\n0.675145 0.338643 0.250000 Mg\n0.664985 0.835016 0.250000 Mg\n0.326140 0.652521 0.750000 Mg\n0.847480 0.173860 0.750000 Mg\n0.833253 0.666748 0.750000 Mg\n0.326272 0.173728 0.750000 Sb\n0.165370 0.334630 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Sb",
"Mo"
],
"chemical_system": "Mg-Mo-Sb",
"density": 3.6884583534888726,
"density_atomic": 0.04888161175096188,
"volume": 163.66072462499312,
"volume_molar": 12.319849007191335,
"formula_full": "Mg6 Sb1 Mo1",
"formula_reduced": "Mg6SbMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.3751982875,
"spacegroup": 38
},
{
"id": "jvasp-91855",
"created_at": "2022-09-04T14:36:15.754796Z",
"updated_at": "2022-09-04T14:36:15.754815Z",
"structure_string": "Mn1 Pt1 F6\n1.0\n4.518380 0.011091 3.248451\n1.671405 4.197887 3.248456\n0.016306 0.011080 5.564883\nMn Pt F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Pt\n0.891726 0.601251 0.255088 F\n0.601252 0.255087 0.891725 F\n0.744913 0.108274 0.398749 F\n0.398748 0.744913 0.108275 F\n0.108274 0.398749 0.744912 F\n0.255087 0.891727 0.601252 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Pt",
"F"
],
"chemical_system": "F-Mn-Pt",
"density": 5.74986863322229,
"density_atomic": 0.07609963213504628,
"volume": 105.12534391497732,
"volume_molar": 7.913495231242536,
"formula_full": "Mn1 Pt1 F6",
"formula_reduced": "MnPtF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6370575420474138,
"spacegroup": 148
},
{
"id": "jvasp-95821",
"created_at": "2022-09-04T14:36:15.586072Z",
"updated_at": "2022-09-04T14:36:15.586092Z",
"structure_string": "K4 Sb4 F24\n1.0\n8.291301 0.000000 -2.931418\n-4.145651 7.180478 -2.931418\n-0.000000 -0.000000 8.794254\nK Sb F\n4 4 24\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 K\n0.500000 -0.000000 -0.000000 K\n0.000000 0.500000 -0.000000 K\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.500000 0.500000 -0.000000 Sb\n0.166645 0.751816 0.702291 F\n0.464354 0.797709 0.549524 F\n0.333355 0.035647 0.585171 F\n0.751816 0.702291 0.166644 F\n0.950475 0.748184 0.914828 F\n0.035647 0.585172 0.333355 F\n0.748184 0.914829 0.950474 F\n0.914829 0.950475 0.748183 F\n0.702291 0.166645 0.751816 F\n0.549525 0.464354 0.797708 F\n0.414829 0.666645 0.964353 F\n0.251816 0.085171 0.049525 F\n0.297709 0.833356 0.248184 F\n0.049525 0.251816 0.085171 F\n0.797709 0.549525 0.464353 F\n0.964353 0.414829 0.666644 F\n0.450475 0.535647 0.202291 F\n0.248184 0.297709 0.833355 F\n0.666645 0.964354 0.414828 F\n0.535647 0.202291 0.450475 F\n0.833355 0.248184 0.297708 F\n0.085171 0.049525 0.251816 F\n0.202291 0.450475 0.535646 F\n0.585171 0.333355 0.035646 F\n",
"nsites": 32,
"nelements": 3,
"elements": [
"K",
"Sb",
"F"
],
"chemical_system": "F-K-Sb",
"density": 3.4868058320228146,
"density_atomic": 0.061118816464870114,
"volume": 523.5703479041183,
"volume_molar": 9.853169790127412,
"formula_full": "K4 Sb4 F24",
"formula_reduced": "KSbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 206
}
]
}