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=1548",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1546",
"results": [
{
"id": "jvasp-20952",
"created_at": "2022-09-04T14:38:34.320169Z",
"updated_at": "2022-09-04T14:38:34.320206Z",
"structure_string": "Li2 Zr1 F6\n1.0\n2.490358 -4.313428 0.000000\n2.490358 4.313428 0.000000\n-0.000000 0.000000 4.671160\nLi Zr F\n2 1 6\ndirect\n0.666667 0.333333 0.500000 Li\n0.333333 0.666667 0.500000 Li\n0.000000 0.000000 0.000000 Zr\n0.668956 0.668956 0.256949 F\n0.331045 0.000000 0.256949 F\n0.331045 0.331045 0.743051 F\n0.000000 0.668956 0.743051 F\n0.668956 0.000000 0.743051 F\n0.000000 0.331045 0.256949 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Li",
"Zr",
"F"
],
"chemical_system": "F-Li-Zr",
"density": 3.625311274896764,
"density_atomic": 0.08968161777885084,
"volume": 100.35501391370333,
"volume_molar": 6.7150224417786655,
"formula_full": "Li2 Zr1 F6",
"formula_reduced": "Li2ZrF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.2315929105555559,
"spacegroup": 162
},
{
"id": "jvasp-110328",
"created_at": "2022-09-04T14:38:38.151123Z",
"updated_at": "2022-09-04T14:38:38.151155Z",
"structure_string": "Na2 Pt1 O6\n1.0\n5.851123 0.138928 0.966103\n-2.699596 5.192988 0.966103\n0.064492 0.109111 3.755535\nNa Pt O\n2 1 6\ndirect\n0.646516 0.353484 0.499999 Na\n0.353483 0.646517 0.499999 Na\n-0.000000 -0.000000 0.499999 Pt\n0.912627 0.222750 0.809015 O\n0.222749 0.912628 0.809015 O\n0.701036 0.701038 0.781279 O\n0.087372 0.777250 0.190982 O\n0.777250 0.087372 0.190982 O\n0.298962 0.298963 0.218718 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Na",
"Pt",
"O"
],
"chemical_system": "Na-O-Pt",
"density": 4.8966240949837845,
"density_atomic": 0.07873775719675784,
"volume": 114.30348438183086,
"volume_molar": 7.648351914509411,
"formula_full": "Na2 Pt1 O6",
"formula_reduced": "Na2PtO6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.9760578222222225,
"spacegroup": 12
},
{
"id": "jvasp-110490",
"created_at": "2022-09-04T14:38:38.153230Z",
"updated_at": "2022-09-04T14:38:38.153249Z",
"structure_string": "Sc6 Te2 Ru1\n1.0\n7.732857 0.000000 0.000000\n-3.866429 6.696850 -0.000000\n-0.000000 -0.000000 3.826381\nSc Te Ru\n6 2 1\ndirect\n0.238111 -0.000000 0.500000 Sc\n-0.000000 0.238111 0.500000 Sc\n0.761889 0.761889 0.500000 Sc\n0.612156 -0.000000 0.000000 Sc\n-0.000000 0.612155 0.000000 Sc\n0.387845 0.387845 0.000000 Sc\n0.333333 0.666667 0.500000 Te\n0.666667 0.333333 0.500000 Te\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sc",
"Te",
"Ru"
],
"chemical_system": "Ru-Sc-Te",
"density": 5.246002159581449,
"density_atomic": 0.04541964626606802,
"volume": 198.15213767359728,
"volume_molar": 13.258889610725575,
"formula_full": "Sc6 Te2 Ru1",
"formula_reduced": "Sc6Te2Ru",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.802441948148148,
"spacegroup": 189
},
{
"id": "jvasp-111087",
"created_at": "2022-09-04T14:38:38.192135Z",
"updated_at": "2022-09-04T14:38:38.192160Z",
"structure_string": "Ce1 Th2 O6\n1.0\n3.940714 -0.000000 0.000000\n-1.970357 3.412759 0.000000\n-0.000000 -0.000000 9.626537\nCe Th O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333333 0.666667 0.669999 Th\n0.666666 0.333333 0.330001 Th\n0.000000 0.000000 0.245230 O\n0.333333 0.666667 0.920474 O\n0.666666 0.333333 0.584639 O\n0.666666 0.333333 0.079526 O\n0.000000 0.000000 0.754770 O\n0.333333 0.666667 0.415362 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"Th",
"O"
],
"chemical_system": "Ce-O-Th",
"density": 8.980767673336755,
"density_atomic": 0.06951713857339957,
"volume": 129.46447717345794,
"volume_molar": 8.66281449953745,
"formula_full": "Ce1 Th2 O6",
"formula_reduced": "CeTh2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.6269086333333336,
"spacegroup": 164
},
{
"id": "jvasp-110975",
"created_at": "2022-09-04T14:38:38.430729Z",
"updated_at": "2022-09-04T14:38:38.430757Z",
"structure_string": "Ti1 Si6 Mo2\n1.0\n4.706926 -0.006391 0.000000\n-2.327847 4.091006 0.000000\n0.000000 0.000000 6.503185\nTi Si Mo\n1 6 2\ndirect\n0.500000 0.500001 0.500000 Ti\n0.157145 0.842856 0.500000 Si\n0.161575 0.327023 0.168110 Si\n0.672977 0.838426 0.831891 Si\n0.842856 0.157145 0.500000 Si\n0.838425 0.672978 0.168110 Si\n0.327023 0.161576 0.831891 Si\n0.500000 0.000000 0.168225 Mo\n-0.000000 0.500001 0.831776 Mo\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Mo"
],
"chemical_system": "Mo-Si-Ti",
"density": 5.417862754289876,
"density_atomic": 0.07192577994996607,
"volume": 125.12898721794458,
"volume_molar": 8.372715268696702,
"formula_full": "Ti1 Si6 Mo2",
"formula_reduced": "Ti(Si3Mo)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.50789685925926,
"spacegroup": 21
},
{
"id": "jvasp-20995",
"created_at": "2022-09-04T14:38:39.037076Z",
"updated_at": "2022-09-04T14:38:39.037087Z",
"structure_string": "Ba4 N8 O24\n1.0\n8.147903 -0.000000 0.000000\n-0.000000 8.147903 -0.000000\n0.000000 -0.000000 8.147903\nBa N O\n4 8 24\ndirect\n0.000000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.500000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.850187 0.149812 0.649812 N\n0.149812 0.649812 0.850187 N\n0.649812 0.649812 0.649812 N\n0.649812 0.850187 0.149812 N\n0.149812 0.850187 0.350187 N\n0.350187 0.149812 0.850187 N\n0.350187 0.350187 0.350187 N\n0.850187 0.350187 0.149812 N\n0.788848 0.022714 0.715728 O\n0.288849 0.022714 0.784272 O\n0.022714 0.784272 0.288849 O\n0.788848 0.477286 0.215728 O\n0.711151 0.522714 0.715728 O\n0.522714 0.715728 0.711151 O\n0.715728 0.711151 0.522714 O\n0.215728 0.711151 0.977286 O\n0.715728 0.788848 0.022714 O\n0.784272 0.211151 0.522714 O\n0.522714 0.784272 0.211151 O\n0.477286 0.284272 0.288849 O\n0.711151 0.977286 0.215728 O\n0.977286 0.215728 0.711151 O\n0.211151 0.522714 0.784272 O\n0.288849 0.477286 0.284272 O\n0.977286 0.284272 0.211151 O\n0.284272 0.288849 0.477286 O\n0.284272 0.211151 0.977286 O\n0.215728 0.788848 0.477286 O\n0.211151 0.977286 0.284272 O\n0.784272 0.288849 0.022714 O\n0.022714 0.715728 0.788848 O\n0.477286 0.215728 0.788848 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"N",
"O"
],
"chemical_system": "Ba-N-O",
"density": 3.2090176619516333,
"density_atomic": 0.06655258831304844,
"volume": 540.9256185599286,
"volume_molar": 9.048695043494329,
"formula_full": "Ba4 N8 O24",
"formula_reduced": "Ba(NO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.095835941111111,
"spacegroup": 205
},
{
"id": "jvasp-100417",
"created_at": "2022-09-04T14:38:39.591969Z",
"updated_at": "2022-09-04T14:38:39.591991Z",
"structure_string": "Co1 Rh2 O6\n1.0\n4.986586 0.016501 0.915967\n-2.541719 4.291008 0.911617\n0.914387 1.605331 5.389520\nCo Rh O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.656770 0.343235 0.000003 Rh\n0.343231 0.656765 -0.000002 Rh\n0.857423 0.183559 0.206279 O\n0.183318 0.857682 0.206268 O\n0.537559 0.537853 0.234851 O\n0.142577 0.816440 0.793722 O\n0.462441 0.462146 0.765150 O\n0.816681 0.142317 0.793733 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Co",
"Rh",
"O"
],
"chemical_system": "Co-O-Rh",
"density": 5.934866599338139,
"density_atomic": 0.08916806787117815,
"volume": 100.93299333346972,
"volume_molar": 6.753696590914403,
"formula_full": "Co1 Rh2 O6",
"formula_reduced": "Co(RhO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.000220877777778,
"spacegroup": 12
},
{
"id": "jvasp-110509",
"created_at": "2022-09-04T14:38:39.649557Z",
"updated_at": "2022-09-04T14:38:39.649572Z",
"structure_string": "Tl2 Ge1 F6\n1.0\n5.899648 -0.000000 0.000000\n-2.949824 5.109245 -0.000000\n0.000000 -0.000000 4.819534\nTl Ge F\n2 1 6\ndirect\n0.333334 0.666668 0.298658 Tl\n0.666668 0.333333 0.701341 Tl\n0.000000 0.000000 0.000000 Ge\n0.850852 0.149149 0.214646 F\n0.149149 0.850852 0.785353 F\n0.850852 0.701704 0.214646 F\n0.149149 0.298297 0.785353 F\n0.298297 0.149149 0.214646 F\n0.701704 0.850852 0.785353 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tl",
"Ge",
"F"
],
"chemical_system": "F-Ge-Tl",
"density": 6.805622821125487,
"density_atomic": 0.06195190024929234,
"volume": 145.27399424043986,
"volume_molar": 9.720671578703978,
"formula_full": "Tl2 Ge1 F6",
"formula_reduced": "Tl2GeF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 164
},
{
"id": "jvasp-110512",
"created_at": "2022-09-04T14:38:39.743512Z",
"updated_at": "2022-09-04T14:38:39.743530Z",
"structure_string": "Rb2 V1 F6\n1.0\n5.208671 -0.000000 3.007227\n1.736224 4.910782 3.007227\n-0.000000 0.000000 6.014455\nRb V F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 V\n0.780348 0.219651 0.219652 F\n0.219651 0.780348 0.780349 F\n0.219651 0.780348 0.219652 F\n0.780348 0.219651 0.780349 F\n0.219651 0.219651 0.780348 F\n0.780348 0.780348 0.219652 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"V",
"F"
],
"chemical_system": "F-Rb-V",
"density": 3.6252940831359526,
"density_atomic": 0.05850172172685069,
"volume": 153.8416260981469,
"volume_molar": 10.293954745670336,
"formula_full": "Rb2 V1 F6",
"formula_reduced": "Rb2VF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-31779",
"created_at": "2022-09-04T14:38:39.452377Z",
"updated_at": "2022-09-04T14:38:39.452403Z",
"structure_string": "Nb4 W2 Se12\n1.0\n0.347384 5.943357 0.004129\n-4.973390 3.272450 0.000733\n-1.538139 3.081729 13.012388\nNb W Se\n4 2 12\ndirect\n0.250127 0.916963 0.250009 Nb\n0.416540 0.749705 0.749991 Nb\n0.916744 0.583669 0.249992 Nb\n0.749922 0.083000 0.750009 Nb\n0.083238 0.416454 0.750000 W\n0.583429 0.250213 0.250000 W\n0.213816 0.533567 0.379006 Se\n0.039756 0.699712 0.879085 Se\n0.126710 0.785475 0.620912 Se\n0.626912 0.966954 0.120914 Se\n0.539957 0.881192 0.379088 Se\n0.365934 0.047333 0.879079 Se\n0.800529 0.459265 0.620924 Se\n0.953050 0.293111 0.120998 Se\n0.866139 0.207403 0.379077 Se\n0.713617 0.373558 0.879003 Se\n0.300731 0.619336 0.120922 Se\n0.452850 0.133102 0.620994 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Nb",
"W",
"Se"
],
"chemical_system": "Nb-Se-W",
"density": 7.01363081250999,
"density_atomic": 0.045070891274616366,
"volume": 399.37084648107424,
"volume_molar": 13.361485849718775,
"formula_full": "Nb4 W2 Se12",
"formula_reduced": "Nb2WSe6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.503062111111111,
"spacegroup": 15
},
{
"id": "jvasp-106371",
"created_at": "2022-09-04T14:38:41.350421Z",
"updated_at": "2022-09-04T14:38:41.350449Z",
"structure_string": "Ce1 Pr2 O6\n1.0\n3.828476 -0.010615 -8.208923\n-0.197826 3.823376 -8.208923\n0.010108 0.010615 9.057790\nCe Pr O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.336369 0.336369 0.000001 Pr\n0.663632 0.663633 0.000002 Pr\n0.422824 0.922825 0.500001 O\n0.750001 0.250001 0.500002 O\n0.077176 0.577177 0.500000 O\n0.250000 0.750001 0.500001 O\n0.577177 0.077177 0.500001 O\n0.922825 0.422825 0.500002 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"Pr",
"O"
],
"chemical_system": "Ce-O-Pr",
"density": 6.455045112203085,
"density_atomic": 0.06754972028362964,
"volume": 133.2351927174613,
"volume_molar": 8.915123163669763,
"formula_full": "Ce1 Pr2 O6",
"formula_reduced": "CePr2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.291024022222223,
"spacegroup": 139
},
{
"id": "jvasp-102780",
"created_at": "2022-09-04T14:38:45.107316Z",
"updated_at": "2022-09-04T14:38:45.107344Z",
"structure_string": "Ce1 U2 O6\n1.0\n3.741107 0.000318 -7.778854\n-0.194140 3.736066 -7.778854\n-0.000302 -0.000318 8.631712\nCe U O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ce\n0.333982 0.333982 0.000001 U\n0.666019 0.666019 0.000002 U\n0.411810 0.911810 0.500002 O\n0.750001 0.250000 0.500001 O\n0.088192 0.588192 0.500001 O\n0.250000 0.750001 0.500001 O\n0.588192 0.088191 0.500001 O\n0.911810 0.411810 0.500002 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ce",
"U",
"O"
],
"chemical_system": "Ce-O-U",
"density": 9.803609770073477,
"density_atomic": 0.0746097558118993,
"volume": 120.6276565586161,
"volume_molar": 8.071519192721372,
"formula_full": "Ce1 U2 O6",
"formula_reduced": "CeU2O6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.3490865000000007,
"spacegroup": 139
}
]
}