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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=116",
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"results": [
{
"id": "jvasp-110071",
"created_at": "2022-09-04T14:38:17.229274Z",
"updated_at": "2022-09-04T14:38:17.229300Z",
"structure_string": "Sm2 Si2 Ru4 C2\n1.0\n5.893461 -0.001655 0.000000\n-4.613682 3.666991 0.000000\n0.000000 -0.000000 7.183611\nSm Si Ru C\n2 2 4 2\ndirect\n0.549237 0.450762 0.250000 Sm\n0.450762 0.549237 0.750000 Sm\n0.270744 0.729255 0.250000 Si\n0.729255 0.270743 0.750000 Si\n0.835401 0.164597 0.057549 Ru\n0.164598 0.835402 0.942450 Ru\n0.164598 0.835402 0.557549 Ru\n0.835401 0.164597 0.442450 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"C"
],
"chemical_system": "C-Ru-Si-Sm",
"density": 8.40147599917511,
"density_atomic": 0.06443627202234593,
"volume": 155.19209423742092,
"volume_molar": 9.345886363369338,
"formula_full": "Sm2 Si2 Ru4 C2",
"formula_reduced": "SmSiRu2C",
"formula_anonymous": "ABCD2",
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"spacegroup": 63
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{
"id": "jvasp-29435",
"created_at": "2022-09-04T14:38:04.713138Z",
"updated_at": "2022-09-04T14:38:04.713156Z",
"structure_string": "K4 Na4 Zn4 O8\n1.0\n5.601417 0.029949 0.000000\n-1.373935 5.674032 0.000000\n0.000000 0.000000 9.599563\nK Na Zn O\n4 4 4 8\ndirect\n0.500011 0.750056 0.377603 K\n0.000010 0.750056 0.122397 K\n-0.000011 0.249944 0.877603 K\n0.499989 0.249944 0.622397 K\n0.999960 0.749958 0.477352 Na\n0.499960 0.749958 0.022648 Na\n0.500040 0.250042 0.977351 Na\n0.000040 0.250042 0.522648 Na\n0.000127 0.750014 0.760397 Zn\n0.499872 0.249985 0.260398 Zn\n0.500127 0.750014 0.739602 Zn\n0.999873 0.249985 0.239602 Zn\n0.295663 0.431686 0.141250 O\n0.704099 0.068234 0.141281 O\n0.204336 0.568314 0.641250 O\n0.295901 0.931766 0.858719 O\n0.704337 0.568314 0.858750 O\n0.795663 0.431686 0.358750 O\n0.795901 0.931766 0.641280 O\n0.204099 0.068234 0.358719 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"Na",
"Zn",
"O"
],
"chemical_system": "K-Na-O-Zn",
"density": 3.4678114453713547,
"density_atomic": 0.06546767873881545,
"volume": 305.4942589272239,
"volume_molar": 9.198647143158144,
"formula_full": "K4 Na4 Zn4 O8",
"formula_reduced": "KNaZnO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.03302288,
"spacegroup": 15
},
{
"id": "jvasp-104901",
"created_at": "2022-09-04T14:36:46.457463Z",
"updated_at": "2022-09-04T14:36:46.457490Z",
"structure_string": "Tm2 Mn4 Si2 C2\n1.0\n5.566879 -0.000249 0.000000\n-4.369823 3.448883 0.000000\n-0.000000 -0.000000 6.937385\nTm Mn Si C\n2 4 2 2\ndirect\n0.542661 0.457338 0.250000 Tm\n0.457339 0.542661 0.750001 Tm\n0.831742 0.168258 0.060979 Mn\n0.168258 0.831741 0.939022 Mn\n0.168258 0.831741 0.560979 Mn\n0.831742 0.168258 0.439022 Mn\n0.263941 0.736059 0.250000 Si\n0.736059 0.263941 0.750001 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Tm",
"Mn",
"Si",
"C"
],
"chemical_system": "C-Mn-Si-Tm",
"density": 7.95208543457558,
"density_atomic": 0.07508247376442498,
"volume": 133.18687436132566,
"volume_molar": 8.020701047883383,
"formula_full": "Tm2 Mn4 Si2 C2",
"formula_reduced": "TmMn2SiC",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.936043466551725,
"spacegroup": 63
},
{
"id": "jvasp-29447",
"created_at": "2022-09-04T14:38:06.893754Z",
"updated_at": "2022-09-04T14:38:06.893773Z",
"structure_string": "Mn2 Bi2 S4 Br2\n1.0\n3.702489 -0.000000 -0.000000\n-1.851244 6.245937 -0.148444\n-0.000000 -0.090466 8.921943\nMn Bi S Br\n2 2 4 2\ndirect\n0.500000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.216682 0.433364 0.786236 Bi\n0.783319 0.566636 0.213765 Bi\n0.119291 0.238581 0.046548 S\n0.556476 0.112952 0.749867 S\n0.880710 0.761419 0.953452 S\n0.443525 0.887048 0.250133 S\n0.127775 0.255550 0.450838 Br\n0.872226 0.744450 0.549162 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Mn",
"Bi",
"S",
"Br"
],
"chemical_system": "Bi-Br-Mn-S",
"density": 6.568141254729863,
"density_atomic": 0.04847902208456596,
"volume": 206.27478793933125,
"volume_molar": 12.422158082098033,
"formula_full": "Mn2 Bi2 S4 Br2",
"formula_reduced": "MnBiS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.818485129275862,
"spacegroup": 12
},
{
"id": "jvasp-42722",
"created_at": "2022-09-04T14:35:55.712686Z",
"updated_at": "2022-09-04T14:35:55.712709Z",
"structure_string": "Li2 Co2 O2 F4\n1.0\n4.918844 0.024415 0.044161\n-2.200487 4.399042 -0.044247\n-2.135071 -1.734655 4.464433\nLi Co O F\n2 2 2 4\ndirect\n0.878501 0.419988 0.345677 Li\n0.926827 0.968328 0.845666 Li\n0.476427 0.740100 0.217998 Co\n0.479024 0.242683 0.718003 Co\n0.389258 0.375922 0.991705 O\n0.616955 0.103591 0.491736 O\n0.659379 0.015064 0.003702 F\n0.979036 0.639929 0.972252 F\n0.333432 0.494309 0.472232 F\n0.989773 0.845444 0.503702 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.101987717197027,
"density_atomic": 0.10303939566722897,
"volume": 97.05025864374743,
"volume_molar": 5.844503183470537,
"formula_full": "Li2 Co2 O2 F4",
"formula_reduced": "LiCoOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.8957309930000003,
"spacegroup": 9
},
{
"id": "jvasp-104885",
"created_at": "2022-09-04T14:37:02.086466Z",
"updated_at": "2022-09-04T14:37:02.086491Z",
"structure_string": "Ce2 Si2 Ru4 C2\n1.0\n5.940731 0.004331 0.000000\n-4.658418 3.686657 0.000000\n0.000000 0.000000 7.125825\nCe Si Ru C\n2 2 4 2\ndirect\n0.553070 0.446930 0.250000 Ce\n0.446930 0.553070 0.750001 Ce\n0.273313 0.726688 0.250000 Si\n0.726687 0.273313 0.750001 Si\n0.835727 0.164272 0.056408 Ru\n0.164272 0.835728 0.943592 Ru\n0.164272 0.835728 0.556409 Ru\n0.835727 0.164272 0.443592 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ce",
"Si",
"Ru",
"C"
],
"chemical_system": "C-Ce-Ru-Si",
"density": 8.128960716881236,
"density_atomic": 0.06401656076058498,
"volume": 156.20957891503917,
"volume_molar": 9.407160722866939,
"formula_full": "Ce2 Si2 Ru4 C2",
"formula_reduced": "CeSiRu2C",
"formula_anonymous": "ABCD2",
"energy_above_hull": 4.21640502,
"spacegroup": 63
},
{
"id": "jvasp-41340",
"created_at": "2022-09-04T14:37:39.224007Z",
"updated_at": "2022-09-04T14:37:39.224034Z",
"structure_string": "Ba2 Yb2 Cd2 Sb4\n1.0\n4.742325 -0.000000 -0.000000\n0.000000 -0.000000 7.395827\n2.371162 -9.379123 -0.000000\nYb Ba Cd Sb\n2 2 2 4\ndirect\n0.480598 0.222214 0.038807 Yb\n0.519403 0.722215 0.961193 Yb\n0.302420 0.526541 0.395162 Ba\n0.697580 0.026539 0.604838 Ba\n0.906424 0.892470 0.187150 Cd\n0.093576 0.392469 0.812849 Cd\n0.940694 0.500823 0.118615 Sb\n0.333841 0.013814 0.332319 Sb\n0.666160 0.513815 0.667679 Sb\n0.059308 0.000822 0.881384 Sb\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Yb",
"Ba",
"Cd",
"Sb"
],
"chemical_system": "Ba-Cd-Sb-Yb",
"density": 6.726781390486635,
"density_atomic": 0.030399028969964118,
"volume": 328.9578759203309,
"volume_molar": 19.81030632902847,
"formula_full": "Ba2 Yb2 Cd2 Sb4",
"formula_reduced": "BaYbCdSb2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.0,
"spacegroup": 36
},
{
"id": "jvasp-50088",
"created_at": "2022-09-04T14:37:00.919044Z",
"updated_at": "2022-09-04T14:37:00.919072Z",
"structure_string": "Li1 Fe1 Cu1 S2\n1.0\n3.803555 0.002319 -0.003212\n-1.900005 -3.295156 0.001582\n-0.005998 0.000510 -6.258685\nLi Fe Cu S\n1 1 1 2\ndirect\n0.999774 0.999909 0.011071 Li\n0.666774 0.333390 0.621729 Fe\n0.333329 0.666651 0.366051 Cu\n0.666616 0.333306 0.245584 S\n0.333509 0.666747 0.755566 S\n",
"nsites": 5,
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"elements": [
"Li",
"Fe",
"Cu",
"S"
],
"chemical_system": "Cu-Fe-Li-S",
"density": 4.033304544391591,
"density_atomic": 0.06376371061594341,
"volume": 78.41450805953889,
"volume_molar": 9.444464103213953,
"formula_full": "Li1 Fe1 Cu1 S2",
"formula_reduced": "LiFeCuS2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.47728119,
"spacegroup": 156
},
{
"id": "jvasp-12602",
"created_at": "2022-09-04T14:37:27.187104Z",
"updated_at": "2022-09-04T14:37:27.187131Z",
"structure_string": "K4 H2 Br2 O2\n1.0\n0.000000 6.642707 0.013242\n4.242655 0.000000 0.000000\n0.000000 -2.618088 -8.022059\nK H Br O\n4 2 2 2\ndirect\n0.711180 0.750001 0.964843 K\n0.288820 0.250000 0.035157 K\n0.294988 0.250000 0.616769 K\n0.705012 0.750001 0.383231 K\n0.846224 0.250000 0.213393 H\n0.153776 0.750001 0.786608 H\n0.820019 0.250000 0.699397 Br\n0.179981 0.750001 0.300604 Br\n0.691245 0.250000 0.172843 O\n0.308756 0.750001 0.827157 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"H",
"Br",
"O"
],
"chemical_system": "Br-H-K-O",
"density": 2.5739428808704266,
"density_atomic": 0.044260261248457125,
"volume": 225.93630760253572,
"volume_molar": 13.606202471771283,
"formula_full": "K4 H2 Br2 O2",
"formula_reduced": "K2HBrO",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.326286721,
"spacegroup": 11
},
{
"id": "jvasp-29391",
"created_at": "2022-09-04T14:38:01.996676Z",
"updated_at": "2022-09-04T14:38:01.996696Z",
"structure_string": "Cu2 Bi2 S2 Cl4\n1.0\n4.059917 0.000000 0.000000\n-2.029959 6.398718 0.000000\n0.000000 0.000000 8.509328\nCu Bi S Cl\n2 2 2 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.707403 0.414806 0.250000 Bi\n0.292597 0.585194 0.750000 Bi\n0.935219 0.870438 0.750000 S\n0.064781 0.129562 0.250000 S\n0.351317 0.702634 0.064358 Cl\n0.351317 0.702634 0.435642 Cl\n0.648683 0.297367 0.935642 Cl\n0.648683 0.297367 0.564358 Cl\n",
"nsites": 10,
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"elements": [
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"S",
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],
"chemical_system": "Bi-Cl-Cu-S",
"density": 5.641318725779136,
"density_atomic": 0.04523708479793213,
"volume": 221.05756913091622,
"volume_molar": 13.312397973698085,
"formula_full": "Cu2 Bi2 S2 Cl4",
"formula_reduced": "CuBiSCl2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4151285769999999,
"spacegroup": 63
},
{
"id": "jvasp-109105",
"created_at": "2022-09-04T14:37:59.526633Z",
"updated_at": "2022-09-04T14:37:59.526655Z",
"structure_string": "Pb4 I2 O2 F2\n1.0\n7.395029 0.029253 0.000000\n-5.011032 5.438462 0.000000\n0.000000 -0.000000 5.975863\nPb I O F\n4 2 2 2\ndirect\n0.406594 0.593406 0.220583 Pb\n0.593406 0.406593 0.779416 Pb\n0.093406 0.906593 0.220583 Pb\n0.906594 0.093406 0.779416 Pb\n0.750000 0.249999 0.244651 I\n0.250000 0.750000 0.755348 I\n0.250000 0.250000 -0.000000 O\n0.750000 0.749999 -0.000000 O\n0.250000 0.250000 0.500000 F\n0.750000 0.749999 0.500000 F\n",
"nsites": 10,
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"elements": [
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"F"
],
"chemical_system": "F-I-O-Pb",
"density": 7.9347408279132665,
"density_atomic": 0.041457520123075055,
"volume": 241.2107615292225,
"volume_molar": 14.526051587557708,
"formula_full": "Pb4 I2 O2 F2",
"formula_reduced": "Pb2IOF",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2094523394999997,
"spacegroup": 67
},
{
"id": "jvasp-29420",
"created_at": "2022-09-04T14:37:58.929987Z",
"updated_at": "2022-09-04T14:37:58.930011Z",
"structure_string": "Ag2 Bi2 S2 Cl4\n1.0\n4.036907 -0.000000 0.000000\n-2.018453 6.900711 -0.000000\n-0.000000 -0.000000 8.729614\nAg Bi S Cl\n2 2 2 4\ndirect\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.287556 0.575110 0.750000 Bi\n0.712446 0.424890 0.250000 Bi\n0.919064 0.838123 0.750000 S\n0.080938 0.161876 0.250000 S\n0.658210 0.316418 0.564365 Cl\n0.341791 0.683582 0.435634 Cl\n0.341791 0.683582 0.064365 Cl\n0.658210 0.316418 0.935634 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Bi",
"S",
"Cl"
],
"chemical_system": "Ag-Bi-Cl-S",
"density": 5.733293550893496,
"density_atomic": 0.04112087762673842,
"volume": 243.18547115583945,
"volume_molar": 14.644971380873852,
"formula_full": "Ag2 Bi2 S2 Cl4",
"formula_reduced": "AgBiSCl2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4466859389999998,
"spacegroup": 63
}
]
}