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=-id&page=116",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=114",
"results": [
{
"id": "jvasp-97691",
"created_at": "2022-09-04T14:36:14.303656Z",
"updated_at": "2022-09-04T14:36:14.303683Z",
"structure_string": "Dy4 Mn8 O20\n1.0\n5.656007 0.000000 0.000000\n0.000000 7.232405 -0.000000\n0.000000 0.000000 8.523048\nDy Mn O\n4 8 20\ndirect\n0.000000 0.137772 0.172285 Dy\n0.000000 0.637772 0.327715 Dy\n0.000000 0.362228 0.672285 Dy\n0.000000 0.862229 0.827715 Dy\n0.255825 0.000000 0.500000 Mn\n0.744176 0.500000 0.000000 Mn\n0.744176 0.000000 0.500000 Mn\n0.255825 0.500000 0.000000 Mn\n0.500000 0.406333 0.351904 Mn\n0.500000 0.593667 0.648096 Mn\n0.500000 0.906334 0.148096 Mn\n0.500000 0.093667 0.851904 Mn\n0.000000 0.334847 0.945273 O\n0.000000 0.665154 0.054728 O\n0.000000 0.834847 0.554728 O\n0.000000 0.165154 0.445272 O\n0.245716 0.896479 0.293014 O\n0.729518 0.500000 0.500000 O\n0.270482 0.000000 0.000000 O\n0.500000 0.154815 0.431929 O\n0.500000 0.845185 0.568071 O\n0.500000 0.654816 0.068071 O\n0.500000 0.345185 0.931929 O\n0.245716 0.396479 0.206986 O\n0.245716 0.603522 0.793015 O\n0.754284 0.896479 0.293014 O\n0.754284 0.103522 0.706986 O\n0.754284 0.603522 0.793015 O\n0.754284 0.396479 0.206986 O\n0.245716 0.103522 0.706986 O\n0.729518 0.000000 0.000000 O\n0.270482 0.500000 0.500000 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Dy",
"Mn",
"O"
],
"chemical_system": "Dy-Mn-O",
"density": 6.713116952215912,
"density_atomic": 0.09178302517608762,
"volume": 348.6483468877534,
"volume_molar": 6.561279439685497,
"formula_full": "Dy4 Mn8 O20",
"formula_reduced": "DyMn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.871002310344827,
"spacegroup": 55
},
{
"id": "jvasp-9769",
"created_at": "2022-09-04T14:38:11.680522Z",
"updated_at": "2022-09-04T14:38:11.680548Z",
"structure_string": "Ba2 Nd1 Nb1 O6\n1.0\n5.290716 0.000000 3.051399\n1.784785 5.036580 3.017818\n0.005809 -0.005991 6.102321\nBa Nd Nb O\n2 1 1 6\ndirect\n0.751437 0.743346 0.753778 Ba\n0.248563 0.256654 0.246222 Ba\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nb\n0.698423 0.305941 0.765069 O\n0.769432 0.694059 0.234931 O\n0.301577 0.694059 0.234931 O\n0.230568 0.305941 0.765069 O\n0.269392 0.796104 0.665111 O\n0.730608 0.203896 0.334890 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-Nd-O",
"density": 6.2077439776029175,
"density_atomic": 0.06150704686851484,
"volume": 162.58299673169566,
"volume_molar": 9.790976915008914,
"formula_full": "Ba2 Nd1 Nb1 O6",
"formula_reduced": "Ba2NdNbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.206716384,
"spacegroup": 12
},
{
"id": "jvasp-97689",
"created_at": "2022-09-04T14:36:11.974691Z",
"updated_at": "2022-09-04T14:36:11.974718Z",
"structure_string": "Ca8 Ru4 O16\n1.0\n5.368336 -0.000000 0.000000\n0.000000 5.471050 0.000000\n0.000000 0.000000 12.108209\nCa Ru O\n8 4 16\ndirect\n0.989916 0.950774 0.651349 Ca\n0.489915 0.549226 0.348651 Ca\n0.010085 0.450774 0.848651 Ca\n0.510085 0.049226 0.151349 Ca\n0.489915 0.950774 0.848651 Ca\n0.989916 0.549226 0.151349 Ca\n0.510085 0.450774 0.651349 Ca\n0.010085 0.049226 0.348651 Ca\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.000000 0.000000 0.000000 Ru\n0.000000 0.500000 0.500000 Ru\n0.305131 0.697765 0.524040 O\n0.805132 0.802235 0.475960 O\n0.438754 0.980628 0.333180 O\n0.805132 0.697765 0.975960 O\n0.305131 0.802235 0.024040 O\n0.194869 0.197765 0.524040 O\n0.694869 0.302235 0.475960 O\n0.938754 0.980628 0.166821 O\n0.438754 0.519372 0.833180 O\n0.061247 0.480628 0.333180 O\n0.561247 0.019372 0.666821 O\n0.061247 0.019372 0.833180 O\n0.561247 0.480628 0.166821 O\n0.938754 0.519372 0.666821 O\n0.194869 0.302235 0.024040 O\n0.694869 0.197765 0.975960 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Ru",
"O"
],
"chemical_system": "Ca-O-Ru",
"density": 4.580164432442826,
"density_atomic": 0.07873498491969642,
"volume": 355.62336143910903,
"volume_molar": 7.648621214752395,
"formula_full": "Ca8 Ru4 O16",
"formula_reduced": "Ca2RuO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.81988362,
"spacegroup": 61
},
{
"id": "jvasp-97688",
"created_at": "2022-09-04T14:36:09.430759Z",
"updated_at": "2022-09-04T14:36:09.430777Z",
"structure_string": "Ce1 Co1 Ge3\n1.0\n4.012430 -0.000000 -1.614109\n-0.649319 3.959542 -1.614109\n-0.009107 -0.010723 5.771560\nCe Co Ge\n1 1 3\ndirect\n0.333921 0.333922 0.667843 Ce\n0.005255 0.005255 0.010511 Co\n0.595355 0.095355 0.190710 Ge\n0.772212 0.772213 0.544425 Ge\n0.095355 0.595355 0.190710 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"Co",
"Ge"
],
"chemical_system": "Ce-Co-Ge",
"density": 7.56250637244373,
"density_atomic": 0.05461132193349635,
"volume": 91.55610637092461,
"volume_molar": 11.027275200064818,
"formula_full": "Ce1 Co1 Ge3",
"formula_reduced": "CeCoGe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5556108500000003,
"spacegroup": 107
},
{
"id": "jvasp-97687",
"created_at": "2022-09-04T14:36:07.354472Z",
"updated_at": "2022-09-04T14:36:07.354500Z",
"structure_string": "Ce2 Cr2 Ge6\n1.0\n6.125034 0.000000 -0.000000\n-3.062517 5.304435 0.000000\n0.000000 0.000000 5.634896\nCe Cr Ge\n2 2 6\ndirect\n0.666666 0.333334 0.250000 Ce\n0.333333 0.666667 0.750001 Ce\n0.000000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.191235 0.808765 0.250000 Ge\n0.808764 0.617529 0.750001 Ge\n0.191235 0.382471 0.250000 Ge\n0.808764 0.191236 0.750001 Ge\n0.382471 0.191236 0.750001 Ge\n0.617528 0.808765 0.250000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Cr",
"Ge"
],
"chemical_system": "Ce-Cr-Ge",
"density": 7.438123926792933,
"density_atomic": 0.054621856792371415,
"volume": 183.0768960859752,
"volume_molar": 11.025148381336358,
"formula_full": "Ce2 Cr2 Ge6",
"formula_reduced": "CeCrGe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.91057415,
"spacegroup": 194
},
{
"id": "jvasp-97686",
"created_at": "2022-09-04T14:36:05.991139Z",
"updated_at": "2022-09-04T14:36:05.991153Z",
"structure_string": "Yb4 Cr4 Sb12\n1.0\n6.066378 0.000000 0.000000\n0.000000 6.186100 0.000000\n0.000000 0.000000 13.058506\nYb Cr Sb\n4 4 12\ndirect\n0.750000 0.995715 0.691039 Yb\n0.750000 0.495715 0.308962 Yb\n0.250000 0.504285 0.691039 Yb\n0.250000 0.004285 0.308962 Yb\n0.500000 0.750000 0.095881 Cr\n0.000000 0.750000 0.095881 Cr\n0.500000 0.250000 0.904119 Cr\n0.000000 0.250000 0.904119 Cr\n0.500000 0.250000 0.502878 Sb\n0.000000 0.250000 0.502878 Sb\n0.500000 0.750000 0.497122 Sb\n0.750000 0.892949 0.935348 Sb\n0.750000 0.392949 0.064652 Sb\n0.250000 0.607051 0.935348 Sb\n0.750000 0.499979 0.781957 Sb\n0.250000 0.500021 0.218043 Sb\n0.750000 -0.000021 0.218043 Sb\n0.250000 0.000021 0.781957 Sb\n0.000000 0.750000 0.497122 Sb\n0.250000 0.107051 0.064652 Sb\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Yb",
"Cr",
"Sb"
],
"chemical_system": "Cr-Sb-Yb",
"density": 8.001175929717428,
"density_atomic": 0.040812208671704577,
"volume": 490.049439884055,
"volume_molar": 14.755733531704687,
"formula_full": "Yb4 Cr4 Sb12",
"formula_reduced": "YbCrSb3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.81277328,
"spacegroup": 57
},
{
"id": "jvasp-97685",
"created_at": "2022-09-04T14:36:00.983043Z",
"updated_at": "2022-09-04T14:36:00.983071Z",
"structure_string": "Ca12 Mn8 Si12 O48\n1.0\n9.882427 0.000000 -3.493966\n-4.941214 8.558433 -3.493966\n-0.000000 -0.000000 10.481897\nCa Mn Si O\n12 8 12 48\ndirect\n0.875001 0.625000 0.250000 Ca\n0.625001 0.875000 0.749999 Ca\n0.875000 0.749999 0.624999 Ca\n0.625000 0.249999 0.875000 Ca\n0.750001 0.625000 0.875000 Ca\n0.750001 0.125000 0.375000 Ca\n0.250001 0.375000 0.125000 Ca\n0.250000 0.875000 0.624999 Ca\n0.375000 0.749999 0.125000 Ca\n0.125000 0.249999 0.374999 Ca\n0.375001 0.125000 0.250000 Ca\n0.125000 0.375000 0.750000 Ca\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 1.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.500000 -0.000000 1.000000 Mn\n0.000000 0.000000 0.500001 Mn\n0.000000 0.500000 1.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250001 0.125000 0.875001 Si\n0.625000 0.749999 0.375000 Si\n0.250000 0.625000 0.374999 Si\n0.375001 0.625000 0.750000 Si\n0.875001 0.125000 0.750000 Si\n0.750001 0.375000 0.625000 Si\n0.125000 0.749999 0.875000 Si\n0.625001 0.375000 0.250000 Si\n0.375000 0.249999 0.625000 Si\n0.750001 0.875000 0.125000 Si\n0.125000 0.875000 0.250000 Si\n0.875000 0.249999 0.125000 Si\n0.194251 0.204795 0.588431 O\n0.795205 0.411569 0.805749 O\n0.010545 0.305749 0.894181 O\n0.116364 0.605820 0.911569 O\n0.204795 0.588431 0.194251 O\n0.204796 0.116364 0.010545 O\n0.588431 0.194251 0.204795 O\n0.605820 0.194251 0.489456 O\n0.704796 0.694250 0.088431 O\n0.911570 0.295205 0.305749 O\n0.805750 0.795205 0.411569 O\n0.105820 0.616363 0.411569 O\n0.694251 0.088431 0.704795 O\n0.088432 0.704795 0.694251 O\n0.989456 0.795205 0.883635 O\n0.805750 0.510545 0.394180 O\n0.411569 0.105820 0.616364 O\n0.394181 0.805749 0.510544 O\n0.883636 0.989455 0.795204 O\n0.616364 0.411569 0.105820 O\n0.105820 0.989455 0.694251 O\n0.394180 0.088431 0.883636 O\n0.088432 0.883636 0.394180 O\n0.510544 0.616363 0.704795 O\n0.616364 0.704795 0.510544 O\n0.694251 0.105820 0.989455 O\n0.510544 0.394180 0.805749 O\n0.305749 0.911568 0.295204 O\n0.411570 0.805749 0.795205 O\n0.295205 0.489455 0.383635 O\n0.010545 0.204795 0.116364 O\n0.194251 0.489455 0.605819 O\n0.588431 0.894180 0.383635 O\n0.116364 0.010545 0.204795 O\n0.489456 0.605820 0.194251 O\n0.383636 0.588431 0.894180 O\n0.894181 0.010545 0.305749 O\n0.795205 0.883636 0.989455 O\n0.605820 0.911568 0.116363 O\n0.489456 0.383636 0.295204 O\n0.383637 0.295205 0.489455 O\n0.305750 0.894180 0.010544 O\n0.295205 0.305749 0.911569 O\n0.704796 0.510545 0.616363 O\n0.989456 0.694250 0.105819 O\n0.883636 0.394180 0.088430 O\n0.911570 0.116364 0.605820 O\n0.894180 0.383636 0.588431 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Si",
"O"
],
"chemical_system": "Ca-Mn-O-Si",
"density": 3.793763020080778,
"density_atomic": 0.09023857511521388,
"volume": 886.5388210957278,
"volume_molar": 6.673576962303662,
"formula_full": "Ca12 Mn8 Si12 O48",
"formula_reduced": "Ca3Mn2(SiO4)3",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 2.732894177137931,
"spacegroup": 230
},
{
"id": "jvasp-97684",
"created_at": "2022-09-04T14:35:51.702767Z",
"updated_at": "2022-09-04T14:35:51.702788Z",
"structure_string": "K8 Cr8 P8 O32 F8\n1.0\n6.343661 0.000000 0.000000\n0.000000 10.560044 0.000000\n0.000000 0.000000 12.748799\nK Cr P O F\n8 8 8 32 8\ndirect\n0.804154 0.192097 0.604725 K\n0.195846 0.692097 0.395276 K\n0.304154 0.692097 0.895276 K\n0.695846 0.192097 0.104724 K\n0.775056 0.945972 0.382145 K\n0.224944 0.445972 0.617855 K\n0.275056 0.445972 0.117855 K\n0.724944 0.945972 0.882145 K\n0.747311 0.499745 0.752697 Cr\n0.252689 -0.000255 0.247303 Cr\n0.000150 0.247999 0.886083 Cr\n0.500150 0.747998 0.613917 Cr\n0.499850 0.247999 0.386083 Cr\n0.247311 -0.000255 0.747303 Cr\n0.752689 0.499745 0.252697 Cr\n0.999850 0.747998 0.113917 Cr\n0.675105 0.498670 0.500004 P\n0.324895 0.998670 0.499997 P\n0.824895 0.498670 0.000003 P\n0.503392 0.748030 0.182144 P\n0.496608 0.248030 0.817856 P\n0.996608 0.748030 0.682144 P\n0.003392 0.248030 0.317856 P\n0.175105 0.998670 0.999997 P\n0.043410 0.861120 0.756672 O\n0.543410 0.361120 0.743328 O\n0.956590 0.361120 0.243328 O\n0.035865 0.877953 0.010158 O\n0.458014 0.134211 0.742508 O\n0.964135 0.377953 0.989842 O\n0.464135 0.877953 0.510158 O\n0.535865 0.377953 0.489842 O\n0.016937 0.110037 0.986952 O\n0.983063 0.610037 0.013048 O\n0.483063 0.110037 0.486952 O\n0.693484 0.775370 0.110035 O\n0.516937 0.610037 0.513048 O\n0.189769 0.717875 0.611566 O\n0.689769 0.217875 0.888435 O\n0.310231 0.717875 0.111566 O\n0.193485 0.275370 0.389965 O\n0.806515 0.775370 0.610035 O\n0.306515 0.275370 0.889965 O\n0.810231 0.217875 0.388435 O\n0.819935 0.518646 0.404258 O\n0.180065 0.018647 0.595742 O\n0.680065 0.518646 0.904258 O\n0.958014 0.634211 0.757492 O\n0.041986 0.134211 0.242508 O\n0.312916 0.982286 0.900604 O\n0.541986 0.634211 0.257492 O\n0.319935 0.018647 0.095742 O\n0.687084 0.482286 0.099396 O\n0.187084 0.982286 0.400604 O\n0.812916 0.482286 0.599397 O\n0.456590 0.861120 0.256672 O\n0.019197 0.119699 0.773079 F\n0.519197 0.619699 0.726921 F\n0.527924 0.373787 0.272444 F\n0.472075 0.873787 0.727556 F\n0.972075 0.373787 0.772444 F\n0.027925 0.873787 0.227556 F\n0.980803 0.619699 0.226921 F\n0.480803 0.119699 0.273079 F\n",
"nsites": 64,
"nelements": 5,
"elements": [
"K",
"Cr",
"P",
"O",
"F"
],
"chemical_system": "Cr-F-K-O-P",
"density": 3.189729760957002,
"density_atomic": 0.07493850169188875,
"volume": 854.0336216373444,
"volume_molar": 8.036110442613545,
"formula_full": "K8 Cr8 P8 O32 F8",
"formula_reduced": "KCrPO4F",
"formula_anonymous": "ABCDE4",
"energy_above_hull": 2.0681406478125,
"spacegroup": 33
},
{
"id": "jvasp-97682",
"created_at": "2022-09-04T14:38:08.322655Z",
"updated_at": "2022-09-04T14:38:08.322671Z",
"structure_string": "Na8 Ge8 Se20\n1.0\n6.212734 0.000000 0.000000\n0.000000 11.277605 0.000000\n0.000000 0.000000 13.865721\nNa Ge Se\n8 8 20\ndirect\n0.997696 0.495859 0.060784 Na\n0.002303 0.995859 0.939216 Na\n0.502303 0.495859 0.560784 Na\n0.497697 0.995859 0.439216 Na\n0.997530 0.247088 0.461831 Na\n0.002469 0.747088 0.538169 Na\n0.502469 0.247088 0.961831 Na\n0.497530 0.747088 0.038169 Na\n0.545217 0.701136 0.347179 Ge\n0.454783 0.201137 0.652821 Ge\n0.954782 0.701136 0.847179 Ge\n0.045217 0.201137 0.152821 Ge\n0.962157 0.392989 0.704946 Ge\n0.462157 0.892989 0.795054 Ge\n0.537842 0.392989 0.204946 Ge\n0.037842 0.892989 0.295054 Ge\n0.092022 0.857244 0.741164 Se\n0.499919 0.983507 0.944432 Se\n0.500080 0.483507 0.055568 Se\n0.001226 0.246749 0.990364 Se\n0.998774 0.746749 0.009636 Se\n0.498774 0.246749 0.490364 Se\n0.501225 0.746749 0.509636 Se\n0.907977 0.357244 0.258836 Se\n0.592022 0.357244 0.758836 Se\n0.612116 0.004628 0.661739 Se\n0.411633 0.187997 0.211630 Se\n0.588367 0.687997 0.788370 Se\n0.088367 0.187997 0.711630 Se\n0.911633 0.687997 0.288370 Se\n0.887883 0.004628 0.161739 Se\n0.112116 0.504628 0.838261 Se\n-0.000080 0.483507 0.555567 Se\n0.387883 0.504628 0.338261 Se\n0.407977 0.857244 0.241164 Se\n0.000080 0.983507 0.444432 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"Ge",
"Se"
],
"chemical_system": "Ge-Na-Se",
"density": 4.006902099724007,
"density_atomic": 0.037056159296264705,
"volume": 971.4984143979766,
"volume_molar": 16.25138944339285,
"formula_full": "Na8 Ge8 Se20",
"formula_reduced": "Na2Ge2Se5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 0.868499637037037,
"spacegroup": 33
},
{
"id": "jvasp-97681",
"created_at": "2022-09-04T14:35:53.846561Z",
"updated_at": "2022-09-04T14:35:53.846576Z",
"structure_string": "Ba8 Nb4 N12\n1.0\n6.196114 0.000000 0.177107\n3.098057 5.946270 0.088554\n-0.001407 -0.000000 13.325917\nBa Nb N\n8 4 12\ndirect\n0.128118 0.227872 0.076763 Ba\n0.871882 0.772128 0.923238 Ba\n0.355990 0.772128 0.576763 Ba\n0.955838 0.601568 0.355919 Ba\n0.557406 0.398432 0.855919 Ba\n0.044161 0.398432 0.644081 Ba\n0.442593 0.601568 0.144081 Ba\n0.644010 0.227872 0.423238 Ba\n0.260879 0.002656 0.834198 Nb\n0.739120 0.997344 0.165803 Nb\n0.736464 0.002656 0.665803 Nb\n0.263535 0.997344 0.334197 Nb\n0.312916 0.820627 0.952900 N\n0.156518 0.315296 0.869874 N\n0.528185 0.315296 0.630126 N\n0.843481 0.684704 0.130126 N\n0.570921 0.858157 0.750000 N\n0.991957 0.016085 0.250000 N\n0.008043 0.983915 0.750000 N\n0.133542 0.179373 0.452900 N\n0.687084 0.179373 0.047100 N\n0.866457 0.820627 0.547100 N\n0.471814 0.684704 0.369874 N\n0.429078 0.141843 0.250000 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"N"
],
"chemical_system": "Ba-N-Nb",
"density": 5.540971291693822,
"density_atomic": 0.04888198150053048,
"volume": 490.9784600229339,
"volume_molar": 12.319755818275587,
"formula_full": "Ba8 Nb4 N12",
"formula_reduced": "Ba2NbN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.587018515,
"spacegroup": 15
},
{
"id": "jvasp-97680",
"created_at": "2022-09-04T14:35:55.198638Z",
"updated_at": "2022-09-04T14:35:55.198664Z",
"structure_string": "Y2 Mg4 Cu18\n1.0\n4.985271 -0.000000 -0.000000\n-2.492635 4.317371 0.000000\n0.000000 -0.000000 16.123095\nY Mg Cu\n2 4 18\ndirect\n0.333333 0.666666 0.750000 Y\n0.666666 0.333333 0.250000 Y\n0.333333 0.666666 0.533505 Mg\n0.666666 0.333333 0.466495 Mg\n0.333333 0.666666 0.966495 Mg\n0.666666 0.333333 0.033505 Mg\n0.333333 0.666666 0.250000 Cu\n0.663522 0.831761 0.377277 Cu\n0.336477 0.168239 0.877277 Cu\n0.831761 0.663523 0.622724 Cu\n0.831761 0.168239 0.877277 Cu\n0.831761 0.663523 0.877277 Cu\n0.168238 0.831761 0.122724 Cu\n0.663522 0.831761 0.122724 Cu\n0.831761 0.168239 0.622724 Cu\n0.168238 0.336477 0.122724 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.250000 Cu\n0.000000 0.000000 0.750000 Cu\n0.168238 0.336477 0.377277 Cu\n0.168238 0.831761 0.377277 Cu\n0.666666 0.333333 0.750000 Cu\n0.336477 0.168239 0.622724 Cu\n0.000000 0.000000 0.500000 Cu\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Cu"
],
"chemical_system": "Cu-Mg-Y",
"density": 6.789409386944605,
"density_atomic": 0.06915995263448582,
"volume": 347.02163731721055,
"volume_molar": 8.707554777874627,
"formula_full": "Y2 Mg4 Cu18",
"formula_reduced": "YMg2Cu9",
"formula_anonymous": "AB2C9",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-9768",
"created_at": "2022-09-04T14:38:10.658882Z",
"updated_at": "2022-09-04T14:38:10.658904Z",
"structure_string": "Ba2 Lu1 Ru1 O6\n1.0\n5.089080 -0.000000 2.938182\n1.696360 4.798030 2.938182\n0.000000 0.000000 5.876363\nBa Lu Ru O\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.499999 Ru\n0.262272 0.737728 0.737727 O\n0.262272 0.737728 0.262272 O\n0.737728 0.262272 0.737727 O\n0.262272 0.262272 0.737727 O\n0.737728 0.262272 0.262272 O\n0.737728 0.737728 0.262271 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Lu",
"Ru",
"O"
],
"chemical_system": "Ba-Lu-O-Ru",
"density": 7.483980445062916,
"density_atomic": 0.0696929980402145,
"volume": 143.4864373926024,
"volume_molar": 8.64095523129179,
"formula_full": "Ba2 Lu1 Ru1 O6",
"formula_reduced": "Ba2LuRuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.0983689190000003,
"spacegroup": 225
}
]
}