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=-density_atomic&page=1284",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density_atomic&page=1282",
"results": [
{
"id": "jvasp-57222",
"created_at": "2022-09-04T14:37:08.807282Z",
"updated_at": "2022-09-04T14:37:08.807300Z",
"structure_string": "Ba2 Ni1 Mo1 O6\n1.0\n4.961672 -0.000005 2.864616\n1.653879 4.677918 2.864628\n-0.000016 -0.000011 5.729251\nBa Ni Mo O\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 Ba\n0.249999 0.250000 0.249999 Ba\n0.000005 0.000000 0.000000 Ni\n0.500000 0.500001 0.500000 Mo\n0.260029 0.260031 0.739969 O\n0.739967 0.260032 0.739970 O\n0.739967 0.260031 0.260031 O\n0.739967 0.739970 0.260032 O\n0.260030 0.739969 0.260031 O\n0.260030 0.739970 0.739969 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Ni",
"Mo",
"O"
],
"chemical_system": "Ba-Mo-Ni-O",
"density": 6.559389257046494,
"density_atomic": 0.07520042578738714,
"volume": 132.97797047416762,
"volume_molar": 8.008120561745612,
"formula_full": "Ba2 Ni1 Mo1 O6",
"formula_reduced": "Ba2NiMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.273434124,
"spacegroup": 225
},
{
"id": "jvasp-35990",
"created_at": "2022-09-04T14:37:28.118011Z",
"updated_at": "2022-09-04T14:37:28.118038Z",
"structure_string": "Mn1 Ga1\n1.0\n2.700894 0.000000 0.000000\n0.000000 2.700894 -0.000000\n0.000000 -0.000000 3.645836\nMn Ga\n1 1\ndirect\n0.499999 0.499999 0.500001 Mn\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Ga"
],
"chemical_system": "Ga-Mn",
"density": 7.783369558541428,
"density_atomic": 0.07519999063834847,
"volume": 26.59574799175698,
"volume_molar": 8.008166901192393,
"formula_full": "Mn1 Ga1",
"formula_reduced": "MnGa",
"formula_anonymous": "AB",
"energy_above_hull": 1.2384747831896548,
"spacegroup": 123
},
{
"id": "jvasp-122494",
"created_at": "2022-09-04T14:38:54.263029Z",
"updated_at": "2022-09-04T14:38:54.263055Z",
"structure_string": "Ba2 Ca1 Cu2 Mo1 O8\n1.0\n3.910138 -0.000000 0.000000\n0.000000 3.910138 0.000000\n-0.000000 -0.000000 12.176698\nBa Ca Cu Mo O\n2 1 2 1 8\ndirect\n0.500000 0.500000 0.790368 Ba\n0.500000 0.500000 0.209632 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.379030 Cu\n0.000000 0.000000 0.620970 Cu\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.626913 O\n-0.000000 0.500000 0.626913 O\n0.500000 0.000000 0.373087 O\n-0.000000 0.500000 0.373087 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n0.000000 0.000000 0.154421 O\n0.000000 0.000000 0.845579 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Cu",
"Mo",
"O"
],
"chemical_system": "Ba-Ca-Cu-Mo-O",
"density": 5.938169208562227,
"density_atomic": 0.07519939218297642,
"volume": 186.1717175311067,
"volume_molar": 8.008230632166317,
"formula_full": "Ba2 Ca1 Cu2 Mo1 O8",
"formula_reduced": "Ba2CaCu2MoO8",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 1.9125390828571427,
"spacegroup": 123
},
{
"id": "jvasp-112496",
"created_at": "2022-09-04T14:38:41.851664Z",
"updated_at": "2022-09-04T14:38:41.851698Z",
"structure_string": "Na4 Ti4 F16\n1.0\n5.374751 -0.000000 0.000000\n0.000000 7.519429 1.437541\n-0.000000 -0.054230 7.886615\nNa Ti F\n4 4 16\ndirect\n0.221830 0.378578 0.855002 Na\n0.721830 0.121422 0.144998 Na\n0.778170 0.621422 0.144997 Na\n0.278170 0.878579 0.855002 Na\n0.740015 0.195709 0.673231 Ti\n0.240015 0.304291 0.326768 Ti\n0.259985 0.804291 0.326768 Ti\n0.759985 0.695710 0.673231 Ti\n0.925698 0.207069 0.451367 F\n0.425698 0.292931 0.548632 F\n0.635690 0.944331 0.672809 F\n0.135690 0.555669 0.327190 F\n0.364310 0.055669 0.327190 F\n0.864310 0.444331 0.672809 F\n0.548943 0.186523 0.882642 F\n0.032597 0.115459 0.803443 F\n0.451057 0.813478 0.117357 F\n0.951057 0.686523 0.882642 F\n0.574301 0.707069 0.451367 F\n0.532597 0.384541 0.196556 F\n0.967403 0.884541 0.196556 F\n0.467403 0.615460 0.803443 F\n0.048943 0.313478 0.117357 F\n0.074302 0.792931 0.548632 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Ti",
"F"
],
"chemical_system": "F-Na-Ti",
"density": 3.0561859906440096,
"density_atomic": 0.07519809742435192,
"volume": 319.1570109090009,
"volume_molar": 8.008368517645247,
"formula_full": "Na4 Ti4 F16",
"formula_reduced": "NaTiF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0421457415277777,
"spacegroup": 14
},
{
"id": "jvasp-11399",
"created_at": "2022-09-04T14:38:15.715045Z",
"updated_at": "2022-09-04T14:38:15.715064Z",
"structure_string": "Sc8 C6\n1.0\n5.874073 -0.000000 -2.076799\n-2.937037 5.087097 -2.076799\n0.000000 0.000000 6.230396\nSc C\n8 6\ndirect\n0.399478 0.500000 -0.000000 Sc\n0.600521 0.600522 0.600521 Sc\n0.500000 0.000000 0.399479 Sc\n-0.000000 0.399479 0.500000 Sc\n0.500000 0.000000 0.899479 Sc\n-0.000000 0.899479 0.500000 Sc\n0.899478 0.500000 -0.000000 Sc\n0.100521 0.100521 0.100521 Sc\n0.749999 0.875001 0.125000 C\n0.625000 0.375000 0.250000 C\n0.874999 0.125000 0.750000 C\n0.125000 0.750000 0.875000 C\n0.375000 0.250000 0.625000 C\n0.250000 0.625000 0.375000 C\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Sc",
"C"
],
"chemical_system": "C-Sc",
"density": 3.850505090290692,
"density_atomic": 0.07519743491467414,
"volume": 186.1765632815225,
"volume_molar": 8.008439073531257,
"formula_full": "Sc8 C6",
"formula_reduced": "Sc4C3",
"formula_anonymous": "A3B4",
"energy_above_hull": 4.556664428571429,
"spacegroup": 220
},
{
"id": "jvasp-114361",
"created_at": "2022-09-04T14:38:40.362244Z",
"updated_at": "2022-09-04T14:38:40.362269Z",
"structure_string": "Ti1 N1\n1.0\n2.850498 0.000000 0.000000\n-0.000000 2.850498 -0.000000\n-0.000000 0.000000 3.273488\nTi N\n1 1\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"N"
],
"chemical_system": "N-Ti",
"density": 3.862806471034681,
"density_atomic": 0.07519306039641621,
"volume": 26.59819921487492,
"volume_molar": 8.008904981724914,
"formula_full": "Ti1 N1",
"formula_reduced": "TiN",
"formula_anonymous": "AB",
"energy_above_hull": 2.411955791666667,
"spacegroup": 123
},
{
"id": "jvasp-79085",
"created_at": "2022-09-04T14:36:39.544445Z",
"updated_at": "2022-09-04T14:36:39.544467Z",
"structure_string": "Zn1 Si1 Rh2\n1.0\n0.000001 2.985044 2.985051\n2.985061 -0.000012 2.985064\n2.985036 2.985032 0.000014\nZn Si Rh\n1 1 2\ndirect\n0.749998 0.749999 0.750002 Zn\n0.250000 0.250000 0.250001 Si\n0.999997 0.000002 -0.000000 Rh\n0.499999 0.499999 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Zn",
"density": 9.342864717028153,
"density_atomic": 0.07519279992786602,
"volume": 53.19658270256303,
"volume_molar": 8.008932724645394,
"formula_full": "Zn1 Si1 Rh2",
"formula_reduced": "ZnSiRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.69272625,
"spacegroup": 225
},
{
"id": "jvasp-98504",
"created_at": "2022-09-04T14:35:52.031220Z",
"updated_at": "2022-09-04T14:35:52.031255Z",
"structure_string": "Mn6 Se6 O20\n1.0\n6.465604 0.000000 2.381019\n2.351568 6.920461 3.583478\n0.165730 -0.135313 9.519075\nMn Se O\n6 6 20\ndirect\n0.000001 0.499999 0.000000 Mn\n0.500001 0.499999 0.000000 Mn\n0.621749 0.839970 0.916532 Mn\n0.378250 0.160031 0.083467 Mn\n-0.000000 0.000001 0.500000 Mn\n0.500000 0.000001 0.500000 Mn\n0.882650 0.071327 0.163372 Se\n0.872345 0.585503 0.669806 Se\n0.127655 0.414498 0.330193 Se\n0.519361 0.296950 0.664329 Se\n0.480639 0.703051 0.335671 Se\n0.117350 0.928673 0.836628 Se\n0.937774 0.501850 0.215272 O\n0.062225 0.498151 0.784727 O\n0.654895 0.498151 0.784727 O\n0.345105 0.501850 0.215273 O\n0.704768 0.574719 0.015743 O\n0.397542 0.214614 0.588709 O\n0.200865 0.785386 0.411291 O\n0.947437 0.784181 0.925162 O\n0.656781 0.215819 0.074838 O\n0.052563 0.215819 0.074838 O\n0.343218 0.784181 0.925161 O\n0.491045 0.879507 0.138406 O\n0.508957 0.120493 0.861593 O\n0.748319 0.830006 0.673354 O\n0.251680 0.169995 0.326646 O\n0.221668 0.910622 0.646042 O\n0.778331 0.089378 0.353959 O\n0.295231 0.425281 0.984256 O\n0.799134 0.214614 0.588709 O\n0.602458 0.785386 0.411292 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Mn",
"Se",
"O"
],
"chemical_system": "Mn-O-Se",
"density": 4.383246895671879,
"density_atomic": 0.07519198831056999,
"volume": 425.5772552233687,
"volume_molar": 8.00901917252991,
"formula_full": "Mn6 Se6 O20",
"formula_reduced": "Mn3Se3O10",
"formula_anonymous": "A3B3C10",
"energy_above_hull": 3.1224185515086207,
"spacegroup": 12
},
{
"id": "jvasp-120277",
"created_at": "2022-09-04T14:38:46.731372Z",
"updated_at": "2022-09-04T14:38:46.731400Z",
"structure_string": "Li1 Al1 N1\n1.0\n3.588380 0.000000 -0.000000\n-1.794190 3.107628 0.000000\n0.000000 0.000000 3.577868\nLi Al N\n1 1 1\ndirect\n0.000000 0.000000 0.500001 Li\n0.666667 0.333334 0.000000 Al\n0.666667 0.333334 0.500001 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Li",
"Al",
"N"
],
"chemical_system": "Al-Li-N",
"density": 1.9947931131131562,
"density_atomic": 0.07519162792457194,
"volume": 39.89805890370445,
"volume_molar": 8.00905755896265,
"formula_full": "Li1 Al1 N1",
"formula_reduced": "LiAlN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.06938535,
"spacegroup": 187
},
{
"id": "jvasp-23439",
"created_at": "2022-09-04T14:35:46.429725Z",
"updated_at": "2022-09-04T14:35:46.429752Z",
"structure_string": "Te4 O12\n1.0\n5.202465 0.000000 0.000000\n0.000000 4.820473 0.000000\n0.000000 0.000000 8.485175\nTe O\n4 12\ndirect\n0.000000 0.000000 0.099427 Te\n0.000000 0.500000 0.414633 Te\n0.500000 0.000000 0.914633 Te\n0.500000 0.500000 0.599428 Te\n0.142836 0.250000 0.257030 O\n0.184880 0.282281 0.580868 O\n0.184880 0.217718 0.933192 O\n0.315120 0.717718 0.433192 O\n0.315120 0.782281 0.080868 O\n0.357165 0.749999 0.757030 O\n0.642836 0.250000 0.757030 O\n0.684881 0.217719 0.080868 O\n0.684880 0.282282 0.433192 O\n0.815121 0.782281 0.933192 O\n0.815121 0.717719 0.580868 O\n0.857165 0.750000 0.257030 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Te",
"O"
],
"chemical_system": "O-Te",
"density": 5.481122684467703,
"density_atomic": 0.07519004714194216,
"volume": 212.79412113940484,
"volume_molar": 8.009225940012422,
"formula_full": "Te4 O12",
"formula_reduced": "TeO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.820652066666667,
"spacegroup": 52
},
{
"id": "jvasp-116887",
"created_at": "2022-09-04T14:38:34.626685Z",
"updated_at": "2022-09-04T14:38:34.626712Z",
"structure_string": "Ti1 V4 Co1 O12\n1.0\n6.484152 0.030738 1.749744\n0.251766 6.479335 1.749744\n0.010477 0.010126 5.704596\nTi V Co O\n1 4 1 12\ndirect\n0.087750 0.912251 0.499999 Ti\n0.799912 0.609753 0.007267 V\n0.610956 0.797035 0.512206 V\n0.390248 0.200088 -0.007268 V\n0.202966 0.389045 0.487793 V\n0.912594 0.087406 -0.000001 Co\n0.186897 0.027518 0.123395 O\n0.376410 0.336032 0.682973 O\n0.364964 0.914517 0.515800 O\n0.345699 0.382922 0.183861 O\n0.663969 0.623592 0.317026 O\n0.811097 0.967782 0.395504 O\n0.617079 0.654302 0.816137 O\n0.085485 0.635037 0.484198 O\n0.911859 0.372584 0.019425 O\n0.972483 0.813104 0.876604 O\n0.627417 0.088142 0.980574 O\n0.032219 0.188904 0.604495 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ti",
"V",
"Co",
"O"
],
"chemical_system": "Co-O-Ti-V",
"density": 3.4859586072151556,
"density_atomic": 0.07518973998702037,
"volume": 239.39436421920396,
"volume_molar": 8.009258658215298,
"formula_full": "Ti1 V4 Co1 O12",
"formula_reduced": "TiV4CoO12",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 3.6004660018518515,
"spacegroup": 5
},
{
"id": "jvasp-110514",
"created_at": "2022-09-04T14:38:40.165225Z",
"updated_at": "2022-09-04T14:38:40.165246Z",
"structure_string": "Zr1 U1 N2\n1.0\n3.202518 0.011894 4.944731\n1.470275 2.845093 4.944731\n0.019454 0.011894 5.891189\nZr U N\n1 1 2\ndirect\n0.500001 0.499998 0.500000 Zr\n0.000000 0.000000 0.000000 U\n0.244872 0.244871 0.244872 N\n0.755130 0.755125 0.755129 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"U",
"N"
],
"chemical_system": "N-U-Zr",
"density": 11.151423730090551,
"density_atomic": 0.07518810648585032,
"volume": 53.19990337504724,
"volume_molar": 8.009432663573339,
"formula_full": "Zr1 U1 N2",
"formula_reduced": "ZrUN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 4.70287175,
"spacegroup": 166
}
]
}