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=volume&page=3463",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3461",
"results": [
{
"id": "jvasp-109001",
"created_at": "2022-09-04T14:38:17.591177Z",
"updated_at": "2022-09-04T14:38:17.591196Z",
"structure_string": "K2 Nb1 Hg1 F6\n1.0\n5.911305 -0.000000 3.412894\n1.970435 5.573232 3.412894\n-0.000000 -0.000000 6.825787\nK Nb Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750001 0.750000 0.749999 K\n0.000000 0.000000 0.000000 Nb\n0.500001 0.500000 0.499999 Hg\n0.207857 0.207856 0.792144 F\n0.207857 0.792143 0.792143 F\n0.792145 0.792143 0.207855 F\n0.207857 0.792143 0.207856 F\n0.792145 0.207856 0.792143 F\n0.792145 0.207856 0.207855 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Nb",
"Hg",
"F"
],
"chemical_system": "F-Hg-K-Nb",
"density": 3.5864033796263604,
"density_atomic": 0.04446894008996098,
"volume": 224.87605910484777,
"volume_molar": 13.54235281483473,
"formula_full": "K2 Nb1 Hg1 F6",
"formula_reduced": "K2NbHgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-15732",
"created_at": "2022-09-04T14:37:02.117647Z",
"updated_at": "2022-09-04T14:37:02.117668Z",
"structure_string": "Rb2 Fe2 Se4\n1.0\n5.526567 -0.000687 -1.129664\n-2.086601 5.861289 -3.128197\n-0.024490 -0.026284 6.963687\nRb Fe Se\n2 2 4\ndirect\n0.750001 0.639359 0.360641 Rb\n0.250000 0.360641 0.639359 Rb\n0.750001 0.001235 0.998766 Fe\n0.250000 0.998765 0.001234 Fe\n0.903156 0.696387 0.919925 Se\n0.403156 0.919925 0.696387 Se\n0.596845 0.080075 0.303614 Se\n0.096844 0.303614 0.080076 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"Se"
],
"chemical_system": "Fe-Rb-Se",
"density": 4.419042276996399,
"density_atomic": 0.03557376681387842,
"volume": 224.88481587727037,
"volume_molar": 16.928600199995063,
"formula_full": "Rb2 Fe2 Se4",
"formula_reduced": "RbFeSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1411730583333333,
"spacegroup": 15
},
{
"id": "jvasp-21917",
"created_at": "2022-09-04T14:38:30.097012Z",
"updated_at": "2022-09-04T14:38:30.097040Z",
"structure_string": "Lu4 Ge4 Pt4\n1.0\n4.322366 0.000000 0.000000\n-0.000000 6.863651 0.000000\n0.000000 0.000000 7.581578\nLu Ge Pt\n4 4 4\ndirect\n0.750001 0.497473 0.797119 Lu\n0.250000 0.002527 0.297119 Lu\n0.750001 0.997473 0.702882 Lu\n0.250000 0.502527 0.202882 Lu\n0.250000 0.690118 0.590178 Ge\n0.250000 0.190119 0.909822 Ge\n0.750001 0.309881 0.409822 Ge\n0.750001 0.809881 0.090178 Ge\n0.250000 0.790541 0.916031 Pt\n0.250000 0.290541 0.583970 Pt\n0.750001 0.709459 0.416031 Pt\n0.750001 0.209459 0.083970 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Lu",
"Ge",
"Pt"
],
"chemical_system": "Ge-Lu-Pt",
"density": 13.072945276751682,
"density_atomic": 0.05335128789488528,
"volume": 224.92427968454768,
"volume_molar": 11.287713938349622,
"formula_full": "Lu4 Ge4 Pt4",
"formula_reduced": "LuGePt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.0360543666666666,
"spacegroup": 62
},
{
"id": "jvasp-43987",
"created_at": "2022-09-04T14:35:50.209398Z",
"updated_at": "2022-09-04T14:35:50.209418Z",
"structure_string": "Mn6 O2 F10\n1.0\n3.209119 0.000000 0.000000\n0.000000 4.839546 0.000000\n0.000000 0.000000 14.484964\nMn O F\n6 2 10\ndirect\n0.000000 0.777267 0.006487 Mn\n0.000000 0.719091 0.332967 Mn\n0.000000 0.788383 0.656942 Mn\n0.500000 0.211617 0.156942 Mn\n0.500000 0.222734 0.506487 Mn\n0.500000 0.280909 0.832967 Mn\n0.500000 0.949493 0.600851 O\n0.000000 0.050508 0.100851 O\n0.500000 0.560104 0.065293 F\n0.000000 0.485719 0.902863 F\n0.000000 0.439896 0.565293 F\n0.000000 0.416431 0.229792 F\n0.500000 0.924121 0.270465 F\n0.000000 0.075879 0.770465 F\n0.500000 0.967535 0.934338 F\n0.500000 0.514281 0.402863 F\n0.000000 0.032466 0.434338 F\n0.500000 0.583569 0.729792 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.071685558992164,
"density_atomic": 0.08001375294170711,
"volume": 224.96132649987868,
"volume_molar": 7.526382076325485,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.6354429596264368,
"spacegroup": 31
},
{
"id": "jvasp-19299",
"created_at": "2022-09-04T14:36:49.093990Z",
"updated_at": "2022-09-04T14:36:49.094005Z",
"structure_string": "Mg6 Ni4 O14\n1.0\n5.205388 -0.000000 -0.000000\n0.000000 4.782486 -1.289998\n-0.000000 -0.119021 9.068937\nMg Ni O\n6 4 14\ndirect\n0.673419 0.777945 -0.000000 Mg\n0.173419 0.222056 -0.000000 Mg\n0.829724 0.564490 0.615197 Mg\n0.329724 0.435512 0.384803 Mg\n0.829724 0.949292 0.384803 Mg\n0.329724 0.050709 0.615197 Mg\n0.749446 0.355763 0.204505 Ni\n0.249445 0.644238 0.795495 Ni\n0.249445 0.848742 0.204505 Ni\n0.749446 0.151259 0.795495 Ni\n0.311415 0.609597 -0.000000 O\n0.811415 0.390404 -0.000000 O\n0.442549 0.136471 0.149605 O\n0.942549 0.863530 0.850395 O\n0.041878 0.583229 0.272667 O\n0.541878 0.416772 0.727334 O\n0.203988 0.069684 0.407593 O\n0.041878 0.310563 0.727334 O\n0.703988 0.337911 0.407593 O\n0.203988 0.662090 0.592407 O\n0.942549 0.013135 0.149605 O\n0.703988 0.930317 0.592407 O\n0.541878 0.689438 0.272667 O\n0.442549 0.986866 0.850395 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"O"
],
"chemical_system": "Mg-Ni-O",
"density": 4.462628359740159,
"density_atomic": 0.10668126833111652,
"volume": 224.96920382975745,
"volume_molar": 5.644984217199711,
"formula_full": "Mg6 Ni4 O14",
"formula_reduced": "Mg3Ni2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 1.5094505375000002,
"spacegroup": 36
},
{
"id": "jvasp-112353",
"created_at": "2022-09-04T14:38:26.427568Z",
"updated_at": "2022-09-04T14:38:26.427586Z",
"structure_string": "Nb1 W3 S8\n1.0\n3.237066 0.000000 0.000000\n0.000000 5.613364 0.000000\n-0.000000 0.000000 12.380884\nNb W S\n1 3 8\ndirect\n0.500001 0.828885 0.500000 Nb\n-0.000000 0.337447 0.500000 W\n-0.000000 0.666553 -0.000000 W\n0.500001 0.166591 -0.000000 W\n0.500001 0.833294 0.873968 S\n-0.000000 0.333314 0.873966 S\n-0.000000 0.661224 0.629469 S\n0.500001 0.172442 0.626231 S\n-0.000000 0.661224 0.370531 S\n0.500001 0.172442 0.373769 S\n0.500001 0.833294 0.126032 S\n-0.000000 0.333314 0.126034 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"W",
"S"
],
"chemical_system": "Nb-S-W",
"density": 6.649999737885495,
"density_atomic": 0.05334022362931169,
"volume": 224.9709353187961,
"volume_molar": 11.290055328322048,
"formula_full": "Nb1 W3 S8",
"formula_reduced": "NbW3S8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 4.438066616666667,
"spacegroup": 25
},
{
"id": "jvasp-99986",
"created_at": "2022-09-04T14:36:38.073473Z",
"updated_at": "2022-09-04T14:36:38.073485Z",
"structure_string": "In2 Cu2 Te2 Se2\n1.0\n5.561898 0.002893 -4.963971\n-1.101048 5.431136 -4.986600\n-0.005498 -0.002893 7.454910\nIn Cu Te Se\n2 2 2 2\ndirect\n0.380773 0.130773 0.250000 In\n0.119227 0.369227 0.750000 In\n0.888011 0.638012 0.250000 Cu\n0.611988 0.861989 0.750001 Cu\n0.539339 0.250000 0.789339 Te\n0.960661 0.750000 0.710662 Te\n0.250000 0.525821 0.275821 Se\n0.750000 0.974180 0.224180 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"In",
"Cu",
"Te",
"Se"
],
"chemical_system": "Cu-In-Se-Te",
"density": 5.682289209154497,
"density_atomic": 0.03555979410832581,
"volume": 224.97318110531228,
"volume_molar": 16.935252048014537,
"formula_full": "In2 Cu2 Te2 Se2",
"formula_reduced": "InCuTeSe",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.2663053883333333,
"spacegroup": 24
},
{
"id": "jvasp-22743",
"created_at": "2022-09-04T14:37:31.026984Z",
"updated_at": "2022-09-04T14:37:31.027011Z",
"structure_string": "Al12 Ru2\n1.0\n4.997211 0.010361 0.000000\n-0.650286 4.954731 -0.000000\n0.000000 -0.000000 9.084753\nAl Ru\n12 2\ndirect\n0.319141 0.680858 0.000000 Al\n0.680858 0.319142 0.500000 Al\n0.680858 0.319142 0.000000 Al\n0.319141 0.680858 0.500000 Al\n0.139769 0.139769 0.100021 Al\n0.860230 0.860230 0.600020 Al\n0.139769 0.139769 0.399979 Al\n0.860230 0.860230 0.899979 Al\n0.616788 0.976534 0.250000 Al\n0.383211 0.023466 0.750000 Al\n0.976533 0.616789 0.250000 Al\n0.023466 0.383211 0.750000 Al\n0.462175 0.462175 0.250000 Ru\n0.537824 0.537824 0.750000 Ru\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Al",
"Ru"
],
"chemical_system": "Al-Ru",
"density": 3.881400516650439,
"density_atomic": 0.062222718275156144,
"volume": 224.99820625145884,
"volume_molar": 9.678363348527121,
"formula_full": "Al12 Ru2",
"formula_reduced": "Al6Ru",
"formula_anonymous": "AB6",
"energy_above_hull": 2.3377539000000005,
"spacegroup": 63
},
{
"id": "jvasp-54357",
"created_at": "2022-09-04T14:37:33.338346Z",
"updated_at": "2022-09-04T14:37:33.338362Z",
"structure_string": "Zr4 In5 Co2\n1.0\n0.000000 7.537347 -0.004967\n3.301707 0.000000 0.000000\n0.000000 -0.770083 -9.041508\nZr In Co\n4 5 2\ndirect\n0.798938 0.500001 0.561181 Zr\n0.184077 0.500001 0.839788 Zr\n0.201063 0.500001 0.438819 Zr\n0.815924 0.500001 0.160213 Zr\n0.539195 0.000000 0.333129 In\n0.156024 0.000000 0.140784 In\n0.500000 0.000000 0.000000 In\n0.843976 0.000000 0.859216 In\n0.460806 0.000000 0.666871 In\n0.077480 0.000000 0.633181 Co\n0.922521 0.000000 0.366820 Co\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Zr",
"In",
"Co"
],
"chemical_system": "Co-In-Zr",
"density": 7.799039957855809,
"density_atomic": 0.04888441240013963,
"volume": 225.02060390867211,
"volume_molar": 12.31914318762027,
"formula_full": "Zr4 In5 Co2",
"formula_reduced": "Zr4In5Co2",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 2.3169699681818186,
"spacegroup": 10
},
{
"id": "jvasp-10370",
"created_at": "2022-09-04T14:37:19.830318Z",
"updated_at": "2022-09-04T14:37:19.830339Z",
"structure_string": "Ca1 Sb4 O8\n1.0\n5.661958 -0.343330 3.701303\n1.824956 5.370772 3.701303\n-0.511291 -0.343330 6.745073\nCa Sb O\n1 4 8\ndirect\n0.500000 0.500001 0.499998 Ca\n0.500002 0.999999 0.500000 Sb\n1.000000 0.500000 0.500000 Sb\n0.500000 0.500000 -0.000001 Sb\n0.000000 0.000000 0.000000 Sb\n0.752463 0.286635 0.752462 O\n0.247537 0.247538 0.713364 O\n0.247537 0.713366 0.247536 O\n0.713364 0.247538 0.247537 O\n0.273290 0.273290 0.273289 O\n0.726711 0.726710 0.726709 O\n0.286637 0.752463 0.752461 O\n0.752464 0.752463 0.286634 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 4.834263433518791,
"density_atomic": 0.05777077815089252,
"volume": 225.027261465045,
"volume_molar": 10.42419879522942,
"formula_full": "Ca1 Sb4 O8",
"formula_reduced": "Ca(SbO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.285971755384616,
"spacegroup": 166
},
{
"id": "jvasp-38250",
"created_at": "2022-09-04T14:38:03.049761Z",
"updated_at": "2022-09-04T14:38:03.049793Z",
"structure_string": "Rb3 Cd1\n1.0\n0.000000 4.827650 4.827650\n4.827650 -0.000000 4.827650\n4.827650 4.827650 -0.000000\nRb Cd\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Cd"
],
"chemical_system": "Cd-Rb",
"density": 2.721570828300425,
"density_atomic": 0.017775534384773344,
"volume": 225.0283965260943,
"volume_molar": 33.878816971930874,
"formula_full": "Rb3 Cd1",
"formula_reduced": "Rb3Cd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.00103,
"spacegroup": 225
},
{
"id": "jvasp-23436",
"created_at": "2022-09-04T14:38:16.825194Z",
"updated_at": "2022-09-04T14:38:16.825212Z",
"structure_string": "Li2 Mn4 S8\n1.0\n6.044738 -0.000000 -3.173564\n-1.666161 5.810574 -3.173564\n-0.279103 -0.370383 6.811924\nLi Mn S\n2 4 8\ndirect\n0.375002 0.625001 0.750000 Li\n0.624999 0.375000 0.250001 Li\n0.000000 0.500001 0.000001 Mn\n0.000001 0.000000 0.500000 Mn\n0.500002 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.760898 0.782593 0.521796 S\n0.760799 0.239104 0.978208 S\n0.217408 0.239104 0.978206 S\n0.239103 0.217407 0.478206 S\n0.239102 0.760797 0.478205 S\n0.239202 0.760897 0.021796 S\n0.760898 0.239202 0.521795 S\n0.782593 0.760897 0.021795 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"S"
],
"chemical_system": "Li-Mn-S",
"density": 3.616658842246781,
"density_atomic": 0.06220907896982465,
"volume": 225.04753698074984,
"volume_molar": 9.680485324209863,
"formula_full": "Li2 Mn4 S8",
"formula_reduced": "Li(MnS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.647610640394088,
"spacegroup": 227
}
]
}