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=3604",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3602",
"results": [
{
"id": "jvasp-104956",
"created_at": "2022-09-04T14:36:49.996531Z",
"updated_at": "2022-09-04T14:36:49.996549Z",
"structure_string": "In3 Sb1 Te2\n1.0\n4.412600 0.000000 0.000000\n-2.206300 3.821424 0.000000\n-0.000000 -0.000000 10.778003\nIn Sb Te\n3 1 2\ndirect\n0.000000 0.000000 0.500000 In\n0.333333 0.666666 0.155756 In\n0.666666 0.333333 0.844244 In\n0.000000 0.000000 0.000000 Sb\n0.333333 0.666666 0.670144 Te\n0.666666 0.333333 0.329856 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"In",
"Sb",
"Te"
],
"chemical_system": "In-Sb-Te",
"density": 6.591368254170364,
"density_atomic": 0.033013621117411227,
"volume": 181.74316530323384,
"volume_molar": 18.24138206040037,
"formula_full": "In3 Sb1 Te2",
"formula_reduced": "In3SbTe2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3243152572222222,
"spacegroup": 164
},
{
"id": "jvasp-50375",
"created_at": "2022-09-04T14:36:49.998253Z",
"updated_at": "2022-09-04T14:36:49.998278Z",
"structure_string": "Tb4 Sm4 O12\n1.0\n5.775547 -0.000000 0.000000\n-0.000000 6.048112 0.000000\n0.000000 0.000000 8.518228\nTb Sm O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Tb\n0.500000 0.000000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.980018 0.054589 0.250000 Sm\n0.480018 0.445411 0.750000 Sm\n0.519982 0.554589 0.250000 Sm\n0.019982 0.945411 0.750000 Sm\n0.813341 0.809873 0.078273 O\n0.313341 0.690127 0.578273 O\n0.313341 0.690127 0.921727 O\n0.852984 0.575160 0.750000 O\n0.147017 0.424840 0.250000 O\n0.186659 0.190127 0.578273 O\n0.686660 0.309873 0.421727 O\n0.186659 0.190127 0.921727 O\n0.813341 0.809873 0.421727 O\n0.647017 0.075160 0.750000 O\n0.686660 0.309873 0.078273 O\n0.352983 0.924839 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Sm",
"O"
],
"chemical_system": "O-Sm-Tb",
"density": 7.975536412495946,
"density_atomic": 0.06721524532707157,
"volume": 297.5515435922215,
"volume_molar": 8.95948639433817,
"formula_full": "Tb4 Sm4 O12",
"formula_reduced": "TbSmO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.434245555,
"spacegroup": 62
},
{
"id": "jvasp-103739",
"created_at": "2022-09-04T14:36:50.004314Z",
"updated_at": "2022-09-04T14:36:50.004329Z",
"structure_string": "Al1 Co1 F5\n1.0\n4.959692 -0.006885 -1.422033\n-0.885518 3.203861 -3.946126\n-0.035304 0.006885 5.159407\nAl Co F\n1 1 5\ndirect\n0.500000 0.500001 0.000000 Al\n0.000000 0.000000 0.000000 Co\n0.797216 0.500001 0.297217 F\n0.202784 0.499999 0.702783 F\n0.258042 0.258043 0.000000 F\n0.741957 0.741959 0.000000 F\n0.500000 -0.000000 0.500001 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Co",
"F"
],
"chemical_system": "Al-Co-F",
"density": 3.6663996591296075,
"density_atomic": 0.08543463646492558,
"volume": 81.93398239452668,
"volume_molar": 7.048828214388593,
"formula_full": "Al1 Co1 F5",
"formula_reduced": "AlCoF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.2790450160714286,
"spacegroup": 71
},
{
"id": "jvasp-10822",
"created_at": "2022-09-04T14:36:50.039429Z",
"updated_at": "2022-09-04T14:36:50.039464Z",
"structure_string": "Ca1 Cr4 S8\n1.0\n7.007911 0.081133 0.057370\n3.574219 6.190728 -0.000000\n3.574219 2.063576 5.836675\nCa Cr S\n1 4 8\ndirect\n0.500000 -0.000000 0.000000 Ca\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n0.251709 0.265656 0.265656 S\n0.251708 0.265656 0.716980 S\n0.251709 0.716980 0.265656 S\n0.721251 0.259583 0.259583 S\n0.278748 0.740417 0.740418 S\n0.748291 0.734344 0.283020 S\n0.748291 0.283020 0.734345 S\n0.748291 0.734344 0.734345 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"S"
],
"chemical_system": "Ca-Cr-S",
"density": 3.342425403604168,
"density_atomic": 0.05185896921382542,
"volume": 250.6798765397413,
"volume_molar": 11.612534632474953,
"formula_full": "Ca1 Cr4 S8",
"formula_reduced": "Ca(CrS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.132506155384616,
"spacegroup": 166
},
{
"id": "jvasp-102775",
"created_at": "2022-09-04T14:36:50.043581Z",
"updated_at": "2022-09-04T14:36:50.043595Z",
"structure_string": "Cr6 B1 C3\n1.0\n4.818845 0.001688 0.000000\n-3.978354 2.719186 0.000000\n0.000000 0.000000 6.927791\nCr B C\n6 1 3\ndirect\n0.854644 0.145359 0.184553 Cr\n0.137502 0.862501 0.318217 Cr\n0.854644 0.145359 0.815447 Cr\n0.137502 0.862501 0.681783 Cr\n0.602482 0.397521 -0.000000 Cr\n0.415514 0.584489 0.500000 Cr\n0.756723 0.243279 0.500000 B\n0.497604 0.502398 0.242915 C\n0.497604 0.502398 0.757084 C\n0.245800 0.754203 -0.000000 C\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"B",
"C"
],
"chemical_system": "B-C-Cr",
"density": 6.560337872920383,
"density_atomic": 0.11010342552969755,
"volume": 90.82369555616377,
"volume_molar": 5.469530789826048,
"formula_full": "Cr6 B1 C3",
"formula_reduced": "Cr6BC3",
"formula_anonymous": "AB3C6",
"energy_above_hull": 6.126610698333333,
"spacegroup": 38
},
{
"id": "jvasp-99981",
"created_at": "2022-09-04T14:36:50.047935Z",
"updated_at": "2022-09-04T14:36:50.047946Z",
"structure_string": "Ho1 Co4 Ni1\n1.0\n4.861076 0.000000 -0.000000\n-2.430538 4.209816 0.000000\n-0.000000 -0.000000 3.956744\nHo Co Ni\n1 4 1\ndirect\n0.333333 0.666668 0.000000 Ho\n0.000000 0.000000 0.000000 Co\n0.333699 0.166850 0.500000 Co\n0.833151 0.166850 0.500000 Co\n0.833151 0.666301 0.500000 Co\n0.666668 0.333333 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Co",
"Ni"
],
"chemical_system": "Co-Ho-Ni",
"density": 9.420316313204095,
"density_atomic": 0.07409992569358764,
"volume": 80.97174111632368,
"volume_molar": 8.127053709746347,
"formula_full": "Ho1 Co4 Ni1",
"formula_reduced": "HoCo4Ni",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.8501369277777777,
"spacegroup": 187
},
{
"id": "jvasp-12924",
"created_at": "2022-09-04T14:36:50.023347Z",
"updated_at": "2022-09-04T14:36:50.023363Z",
"structure_string": "Ba2 Br4 O12\n1.0\n6.984105 -0.045559 -1.977576\n-3.658589 5.949329 -1.977576\n0.028733 0.051010 7.882149\nBa Br O\n2 4 12\ndirect\n0.999064 0.999065 -0.000001 Ba\n0.749064 0.249065 0.499999 Ba\n0.616433 0.228191 0.955457 Br\n0.272733 0.660976 0.044542 Br\n0.978190 0.866434 0.455456 Br\n0.410976 0.522733 0.544542 Br\n0.214020 0.452318 0.112780 O\n0.339537 0.101239 0.887219 O\n0.326828 0.877393 0.239493 O\n0.637897 0.087334 0.760506 O\n0.627392 0.576828 0.739493 O\n0.884988 0.959962 0.614069 O\n0.345892 0.270920 0.385930 O\n0.851239 0.589537 0.387219 O\n0.020919 0.595893 0.885930 O\n0.709962 0.134989 0.114069 O\n0.837334 0.887898 0.260505 O\n0.202317 0.464020 0.612780 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"Br",
"O"
],
"chemical_system": "Ba-Br-O",
"density": 3.9852933305325378,
"density_atomic": 0.054943455733083214,
"volume": 327.6095352910542,
"volume_molar": 10.9606151991162,
"formula_full": "Ba2 Br4 O12",
"formula_reduced": "Ba(BrO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.8018174641666664,
"spacegroup": 43
},
{
"id": "jvasp-107336",
"created_at": "2022-09-04T14:36:50.148365Z",
"updated_at": "2022-09-04T14:36:50.148380Z",
"structure_string": "Ho2 Ga3 Ni1\n1.0\n4.295103 0.002733 3.440717\n2.119141 3.735928 3.440717\n-0.013730 -0.008003 7.026366\nHo Ga Ni\n2 3 1\ndirect\n0.538567 0.538568 0.709744 Ho\n0.453376 0.453376 0.296795 Ho\n0.851864 0.851865 0.680911 Ga\n0.823786 0.823787 0.124877 Ga\n0.163142 0.163143 0.906225 Ga\n0.169263 0.169264 0.281452 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ho-Ni",
"density": 8.788070223131868,
"density_atomic": 0.05312460022697512,
"volume": 112.94202637506861,
"volume_molar": 11.335879675838262,
"formula_full": "Ho2 Ga3 Ni1",
"formula_reduced": "Ho2Ga3Ni",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.3536300847222222,
"spacegroup": 8
},
{
"id": "jvasp-9691",
"created_at": "2022-09-04T14:36:50.164810Z",
"updated_at": "2022-09-04T14:36:50.164820Z",
"structure_string": "Ba2 Ce2 O6\n1.0\n5.421020 -0.023676 3.068621\n1.778102 5.121170 3.068621\n-0.033437 -0.023676 6.229188\nBa Ce O\n2 2 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.749999 0.750001 Ba\n0.000000 0.000000 0.000000 Ce\n0.500000 0.499999 0.500001 Ce\n0.249999 0.818679 0.681321 O\n0.818680 0.681319 0.250000 O\n0.681320 0.249999 0.818681 O\n0.750000 0.181319 0.318680 O\n0.318680 0.750000 0.181320 O\n0.181320 0.318679 0.750001 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ce",
"O"
],
"chemical_system": "Ba-Ce-O",
"density": 6.211966398178868,
"density_atomic": 0.05747480045420068,
"volume": 173.98929480353033,
"volume_molar": 10.477880240399962,
"formula_full": "Ba2 Ce2 O6",
"formula_reduced": "BaCeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.271964394,
"spacegroup": 167
},
{
"id": "jvasp-50426",
"created_at": "2022-09-04T14:36:50.184838Z",
"updated_at": "2022-09-04T14:36:50.184855Z",
"structure_string": "Tm4 Al4 O12\n1.0\n5.134160 -0.000000 0.000000\n0.000000 5.360715 0.000000\n0.000000 0.000000 7.356357\nTm Al O\n4 4 12\ndirect\n0.015585 0.937886 0.750000 Tm\n0.484415 0.437886 0.750000 Tm\n0.515585 0.562115 0.250000 Tm\n0.984415 0.062115 0.250000 Tm\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.800342 0.798759 0.050092 O\n0.699658 0.298759 0.449908 O\n0.699658 0.298759 0.050092 O\n0.596283 0.028720 0.750000 O\n0.403717 0.971281 0.250000 O\n0.199658 0.201242 0.550092 O\n0.300342 0.701242 0.949909 O\n0.199658 0.201242 0.949909 O\n0.800342 0.798759 0.449908 O\n0.096283 0.471280 0.250000 O\n0.300342 0.701242 0.550092 O\n0.903717 0.528721 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tm",
"Al",
"O"
],
"chemical_system": "Al-O-Tm",
"density": 8.001857460364345,
"density_atomic": 0.09878137814793068,
"volume": 202.46731089384957,
"volume_molar": 6.096433227507219,
"formula_full": "Tm4 Al4 O12",
"formula_reduced": "TmAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.45450351,
"spacegroup": 62
},
{
"id": "jvasp-50832",
"created_at": "2022-09-04T14:36:50.209274Z",
"updated_at": "2022-09-04T14:36:50.209295Z",
"structure_string": "Pr6 Ga2 O12\n1.0\n4.668262 5.847620 0.000000\n-4.668262 5.847620 0.000000\n0.000000 0.000000 5.673739\nPr Ga O\n6 2 12\ndirect\n0.298949 0.913426 0.473456 Pr\n0.086574 0.701051 0.973456 Pr\n0.395589 0.395589 0.430390 Pr\n0.604411 0.604411 0.930390 Pr\n0.913426 0.298949 0.473456 Pr\n0.701051 0.086574 0.973456 Pr\n0.191562 0.191562 0.006977 Ga\n0.808438 0.808438 0.506977 Ga\n0.894010 0.586222 0.673983 O\n0.413778 0.105990 0.173983 O\n0.784612 0.784612 0.181808 O\n0.958286 0.958286 0.637237 O\n0.215388 0.215388 0.681808 O\n0.327799 0.646234 0.703755 O\n0.586222 0.894010 0.673983 O\n0.105990 0.413778 0.173983 O\n0.672201 0.353766 0.203755 O\n0.353766 0.672201 0.203755 O\n0.041714 0.041714 0.137237 O\n0.646234 0.327799 0.703755 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"Ga",
"O"
],
"chemical_system": "Ga-O-Pr",
"density": 6.308836899339274,
"density_atomic": 0.06456487003838612,
"volume": 309.76597626711373,
"volume_molar": 9.327271558696891,
"formula_full": "Pr6 Ga2 O12",
"formula_reduced": "Pr3GaO6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 1.9661662875,
"spacegroup": 36
},
{
"id": "jvasp-99598",
"created_at": "2022-09-04T14:36:50.272506Z",
"updated_at": "2022-09-04T14:36:50.272530Z",
"structure_string": "Ba1 In1 O3\n1.0\n4.266991 -0.000000 0.000000\n0.000000 4.266991 0.000000\n-0.000000 -0.000000 4.266991\nBa In O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 In\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"In",
"O"
],
"chemical_system": "Ba-In-O",
"density": 6.415232866302883,
"density_atomic": 0.0643583385237532,
"volume": 77.69001056723387,
"volume_molar": 9.357203585635396,
"formula_full": "Ba1 In1 O3",
"formula_reduced": "BaInO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.989773288,
"spacegroup": 221
}
]
}