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=spacegroup&page=1087",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1085",
"results": [
{
"id": "jvasp-97386",
"created_at": "2022-09-04T14:37:51.793472Z",
"updated_at": "2022-09-04T14:37:51.793495Z",
"structure_string": "Y4 B28 Mo12\n1.0\n3.102607 0.000000 0.000000\n0.000000 11.030774 0.000019\n0.000000 0.000022 12.932641\nY B Mo\n4 28 12\ndirect\n0.750001 0.949845 0.308238 Y\n0.250000 0.050155 0.691762 Y\n0.750001 0.449845 0.191762 Y\n0.250000 0.550154 0.808238 Y\n0.250000 0.314554 0.067053 B\n0.750001 0.185446 0.567053 B\n0.250000 0.814554 0.432947 B\n0.750001 0.568032 0.384178 B\n0.250000 0.431967 0.615822 B\n0.750001 0.068033 0.115822 B\n0.250000 0.931967 0.884178 B\n0.750001 0.537435 0.981735 B\n0.750001 0.037435 0.518265 B\n0.750001 0.685445 0.932947 B\n0.250000 0.962564 0.481735 B\n0.750001 0.750688 0.173455 B\n0.250000 0.249311 0.826545 B\n0.750001 0.250688 0.326544 B\n0.250000 0.749311 0.673456 B\n0.750001 0.731001 0.418272 B\n0.250000 0.268998 0.581728 B\n0.250000 0.462564 0.018265 B\n0.250000 0.834945 0.167244 B\n0.250000 0.334945 0.332756 B\n0.750001 0.231002 0.081728 B\n0.750001 0.165054 0.832756 B\n0.750001 0.510038 0.637711 B\n0.250000 0.489961 0.362289 B\n0.250000 0.768998 0.918272 B\n0.250000 0.989961 0.137710 B\n0.750001 0.665055 0.667244 B\n0.750001 0.010039 0.862290 B\n0.250000 0.617636 0.526826 Mo\n0.750001 0.382363 0.473174 Mo\n0.250000 0.117637 0.973174 Mo\n0.250000 0.660244 0.064607 Mo\n0.750001 0.339756 0.935393 Mo\n0.250000 0.160244 0.435393 Mo\n0.750001 0.839756 0.564607 Mo\n0.250000 0.685128 0.297651 Mo\n0.750001 0.314871 0.702349 Mo\n0.250000 0.185128 0.202349 Mo\n0.750001 0.814871 0.797651 Mo\n0.750001 0.882363 0.026826 Mo\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Y",
"B",
"Mo"
],
"chemical_system": "B-Mo-Y",
"density": 6.789134992791926,
"density_atomic": 0.09941060105456885,
"volume": 442.6087311940439,
"volume_molar": 6.057845638308034,
"formula_full": "Y4 B28 Mo12",
"formula_reduced": "YB7Mo3",
"formula_anonymous": "AB3C7",
"energy_above_hull": 5.694214657575758,
"spacegroup": 62
},
{
"id": "jvasp-97996",
"created_at": "2022-09-04T14:37:52.229230Z",
"updated_at": "2022-09-04T14:37:52.229243Z",
"structure_string": "K8 W4 Se16\n1.0\n7.142527 0.000000 0.000000\n-0.000000 9.744263 0.000000\n0.000000 0.000000 12.570350\nK W Se\n8 4 16\ndirect\n0.750000 0.552341 0.653081 K\n0.250000 0.447659 0.346919 K\n0.750000 0.052341 0.846919 K\n0.250000 0.947659 0.153081 K\n0.750000 0.839785 0.382396 K\n0.250000 0.160215 0.617604 K\n0.750000 0.339785 0.117604 K\n0.250000 0.660215 0.882396 K\n0.250000 0.249941 0.934667 W\n0.750000 0.250059 0.434667 W\n0.750000 0.750059 0.065333 W\n0.250000 0.749940 0.565333 W\n0.750000 0.484001 0.385823 Se\n0.750000 0.721370 0.880375 Se\n0.011490 0.640327 0.135996 Se\n0.250000 0.015999 0.885823 Se\n0.488510 0.140327 0.364004 Se\n0.988511 0.859673 0.635996 Se\n0.488510 0.640327 0.135996 Se\n0.511490 0.359673 0.864004 Se\n0.511490 0.859673 0.635996 Se\n0.011490 0.140327 0.364004 Se\n0.988511 0.359673 0.864004 Se\n0.750000 0.221370 0.619625 Se\n0.250000 0.278630 0.119625 Se\n0.250000 0.778629 0.380375 Se\n0.750000 0.984000 0.114177 Se\n0.250000 0.515999 0.614177 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"W",
"Se"
],
"chemical_system": "K-Se-W",
"density": 4.387285933835491,
"density_atomic": 0.03200440616550159,
"volume": 874.8795354991449,
"volume_molar": 18.816598967211668,
"formula_full": "K8 W4 Se16",
"formula_reduced": "K2WSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7743742095238093,
"spacegroup": 62
},
{
"id": "jvasp-88015",
"created_at": "2022-09-04T14:37:52.244600Z",
"updated_at": "2022-09-04T14:37:52.244628Z",
"structure_string": "Ca4 Nb4 O12\n1.0\n5.537983 -0.000000 0.000000\n0.000000 5.717710 0.000000\n0.000000 0.000000 7.950385\nCa Nb O\n4 4 12\ndirect\n0.989146 0.946042 0.750000 Ca\n0.489147 0.553958 0.250000 Ca\n0.510853 0.446042 0.750000 Ca\n0.010853 0.053958 0.250000 Ca\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.000000 Nb\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Nb\n0.407687 0.029493 0.750000 O\n0.907686 0.470507 0.250000 O\n0.802292 0.202493 0.548291 O\n0.802292 0.202493 0.951710 O\n0.302293 0.297507 0.048291 O\n0.697707 0.702493 0.548291 O\n0.197707 0.797507 0.451710 O\n0.197707 0.797507 0.048291 O\n0.697707 0.702493 0.951710 O\n0.302293 0.297507 0.451710 O\n0.592313 0.970507 0.250000 O\n0.092313 0.529493 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Nb",
"O"
],
"chemical_system": "Ca-Nb-O",
"density": 4.775116384903869,
"density_atomic": 0.07944527872575098,
"volume": 251.74560805609337,
"volume_molar": 7.580237437127922,
"formula_full": "Ca4 Nb4 O12",
"formula_reduced": "CaNbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.017638064,
"spacegroup": 62
},
{
"id": "jvasp-54676",
"created_at": "2022-09-04T14:37:52.290730Z",
"updated_at": "2022-09-04T14:37:52.290749Z",
"structure_string": "Al4 H4 O8\n1.0\n2.869446 0.000000 0.000000\n-0.000000 4.415954 0.000000\n0.000000 0.000000 9.484903\nAl H O\n4 4 8\ndirect\n0.250000 0.451065 0.356786 Al\n0.250000 0.048934 0.856786 Al\n0.750001 0.548934 0.643214 Al\n0.750001 0.951065 0.143214 Al\n0.250000 0.086699 0.590857 H\n0.250000 0.413300 0.090858 H\n0.750001 0.913300 0.409142 H\n0.750001 0.586699 0.909142 H\n0.250000 0.795158 0.697488 O\n0.250000 0.704840 0.197488 O\n0.750001 0.204841 0.302512 O\n0.750001 0.295159 0.802512 O\n0.250000 0.303115 0.554578 O\n0.250000 0.196884 0.054578 O\n0.750001 0.696884 0.445422 O\n0.750001 0.803115 0.945422 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Al",
"H",
"O"
],
"chemical_system": "Al-H-O",
"density": 3.3152783517693885,
"density_atomic": 0.13312649314684988,
"volume": 120.18644540084621,
"volume_molar": 4.5236230727996904,
"formula_full": "Al4 H4 O8",
"formula_reduced": "AlHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.64489245,
"spacegroup": 62
},
{
"id": "jvasp-23188",
"created_at": "2022-09-04T14:37:52.921557Z",
"updated_at": "2022-09-04T14:37:52.921577Z",
"structure_string": "Ho4 Ni4 O12\n1.0\n0.000000 5.167065 0.008659\n5.571465 0.000000 0.000000\n0.000000 -5.154919 -7.340327\nHo Ni O\n4 4 12\ndirect\n0.228638 0.578501 0.750001 Ho\n0.771361 0.078501 0.750000 Ho\n0.771361 0.421500 0.249999 Ho\n0.228638 0.921500 0.250001 Ho\n0.000000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.499999 0.000000 -0.000000 Ni\n0.646174 0.030309 0.250000 O\n0.353825 0.530309 0.250000 O\n0.742299 0.696746 0.050327 O\n0.257700 0.196746 0.449673 O\n0.257701 0.303254 0.949673 O\n0.858355 0.196748 0.050329 O\n0.141644 0.803253 0.949672 O\n0.858355 0.303252 0.550329 O\n0.646174 0.469692 0.750000 O\n0.141644 0.696748 0.449672 O\n0.742299 0.803255 0.550327 O\n0.353825 0.969692 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ho",
"Ni",
"O"
],
"chemical_system": "Ho-Ni-O",
"density": 8.54784376788622,
"density_atomic": 0.09475729790601714,
"volume": 211.0655373461213,
"volume_molar": 6.355331877416896,
"formula_full": "Ho4 Ni4 O12",
"formula_reduced": "HoNiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.5700936933333334,
"spacegroup": 62
},
{
"id": "jvasp-14195",
"created_at": "2022-09-04T14:37:53.015454Z",
"updated_at": "2022-09-04T14:37:53.015473Z",
"structure_string": "Mn4 Cu4 P4\n1.0\n3.444630 -0.000000 0.000000\n0.000000 5.878835 0.000000\n0.000000 0.000000 7.100303\nMn Cu P\n4 4 4\ndirect\n0.750000 0.949918 0.838033 Mn\n0.250000 0.550083 0.338033 Mn\n0.750000 0.449918 0.661967 Mn\n0.250000 0.050083 0.161967 Mn\n0.250000 0.124877 0.565194 Cu\n0.250000 0.624877 0.934805 Cu\n0.750000 0.375124 0.065194 Cu\n0.750000 0.875124 0.434806 Cu\n0.250000 0.723967 0.628174 P\n0.250000 0.223966 0.871826 P\n0.750000 0.276034 0.371826 P\n0.750000 0.776035 0.128174 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"Cu",
"P"
],
"chemical_system": "Cu-Mn-P",
"density": 6.9042571966830915,
"density_atomic": 0.08345848811237513,
"volume": 143.78405685761103,
"volume_molar": 7.2157319120031405,
"formula_full": "Mn4 Cu4 P4",
"formula_reduced": "MnCuP",
"formula_anonymous": "ABC",
"energy_above_hull": 1.97704773045977,
"spacegroup": 62
},
{
"id": "jvasp-34769",
"created_at": "2022-09-04T14:37:53.241723Z",
"updated_at": "2022-09-04T14:37:53.241745Z",
"structure_string": "Ba4 Cl8\n1.0\n4.733923 -0.000000 0.000000\n-0.000000 7.875217 0.000000\n0.000000 0.000000 9.497074\nBa Cl\n4 8\ndirect\n0.250000 0.748613 0.619052 Ba\n0.750000 0.251388 0.380947 Ba\n0.250000 0.248612 0.880947 Ba\n0.750000 0.751388 0.119052 Ba\n0.250000 0.530433 0.328487 Cl\n0.750000 0.469567 0.671513 Cl\n0.250000 0.030433 0.171513 Cl\n0.750000 0.969567 0.828486 Cl\n0.750000 0.856353 0.430796 Cl\n0.250000 0.143648 0.569203 Cl\n0.750000 0.356353 0.069203 Cl\n0.250000 0.643648 0.930796 Cl\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"Cl"
],
"chemical_system": "Ba-Cl",
"density": 3.906475489124365,
"density_atomic": 0.03389281998404666,
"volume": 354.05729017675117,
"volume_molar": 17.76819032123801,
"formula_full": "Ba4 Cl8",
"formula_reduced": "BaCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-22788",
"created_at": "2022-09-04T14:37:53.509481Z",
"updated_at": "2022-09-04T14:37:53.509498Z",
"structure_string": "Rb8 Cd12 Se16\n1.0\n6.854575 -0.000000 0.000000\n-0.000000 11.087291 0.000000\n0.000000 0.000000 14.645786\nRb Cd Se\n8 12 16\ndirect\n0.021978 0.250000 0.538747 Rb\n0.521978 0.750000 0.961254 Rb\n0.978021 0.750000 0.461254 Rb\n0.478022 0.250000 0.038747 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.500000 Rb\n0.000000 0.500000 0.000000 Rb\n0.746673 0.250000 0.795706 Cd\n0.246674 0.750000 0.704294 Cd\n0.753326 0.250000 0.295706 Cd\n0.310681 0.093595 0.745469 Cd\n0.810681 0.906405 0.754531 Cd\n0.253326 0.750000 0.204294 Cd\n0.189318 0.406405 0.245469 Cd\n0.689318 0.906405 0.254531 Cd\n0.189318 0.093595 0.245469 Cd\n0.310681 0.406405 0.745469 Cd\n0.810681 0.593595 0.754531 Cd\n0.689318 0.593595 0.254531 Cd\n0.609449 0.750000 0.647411 Se\n0.890550 0.750000 0.147411 Se\n0.541292 0.250000 0.639465 Se\n0.041293 0.750000 0.860536 Se\n0.458707 0.750000 0.360536 Se\n0.958707 0.250000 0.139465 Se\n0.591123 0.036098 0.865266 Se\n0.908876 0.463902 0.365266 Se\n0.408877 0.536098 0.134734 Se\n0.408877 0.963902 0.134734 Se\n0.908876 0.036098 0.365266 Se\n0.591123 0.463902 0.865266 Se\n0.091123 0.536098 0.634734 Se\n0.109449 0.250000 0.852589 Se\n0.091123 0.963902 0.634734 Se\n0.390551 0.250000 0.352589 Se\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Rb",
"Cd",
"Se"
],
"chemical_system": "Cd-Rb-Se",
"density": 4.917248654154916,
"density_atomic": 0.03234326340978405,
"volume": 1113.0602235119466,
"volume_molar": 18.619459278738898,
"formula_full": "Rb8 Cd12 Se16",
"formula_reduced": "Rb2Cd3Se4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-40981",
"created_at": "2022-09-04T14:37:53.980376Z",
"updated_at": "2022-09-04T14:37:53.980399Z",
"structure_string": "Li4 Fe4 Si4 O16\n1.0\n4.788244 -0.000000 0.000000\n-0.000000 5.866226 0.000000\n0.000000 0.000000 10.123990\nLi Fe Si O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.990234 0.250000 0.726231 Fe\n0.509765 0.250000 0.226231 Fe\n0.490234 0.750000 0.773769 Fe\n0.009766 0.750000 0.273769 Fe\n0.059366 0.250000 0.407104 Si\n0.440633 0.250000 0.907104 Si\n0.559366 0.750000 0.092896 Si\n0.940633 0.750000 0.592896 Si\n0.215764 0.033470 0.329936 O\n0.215764 0.466530 0.329936 O\n0.284235 0.033470 0.829936 O\n0.284235 0.466530 0.829936 O\n0.279288 0.750000 0.600085 O\n0.810111 0.750000 0.442458 O\n0.189888 0.250000 0.557542 O\n0.779287 0.250000 0.899915 O\n0.784235 0.533470 0.670064 O\n0.784235 0.966531 0.670064 O\n0.715764 0.533470 0.170064 O\n0.715764 0.966531 0.170064 O\n0.220712 0.750000 0.100085 O\n0.310112 0.250000 0.057542 O\n0.720712 0.250000 0.399915 O\n0.689888 0.750000 0.942458 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.6173213547828476,
"density_atomic": 0.09846259109227734,
"volume": 284.37195984167136,
"volume_molar": 6.116171322727186,
"formula_full": "Li4 Fe4 Si4 O16",
"formula_reduced": "LiFeSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.438135442857143,
"spacegroup": 62
},
{
"id": "jvasp-12892",
"created_at": "2022-09-04T14:37:53.986761Z",
"updated_at": "2022-09-04T14:37:53.986787Z",
"structure_string": "K4 Cu4 S4\n1.0\n5.346375 0.000000 0.000000\n0.000000 6.149025 0.000000\n0.000000 0.000000 10.616790\nK Cu S\n4 4 4\ndirect\n0.248758 0.524257 0.154938 K\n0.748759 0.024256 0.345062 K\n0.248758 0.975745 0.654938 K\n0.748759 0.475744 0.845062 K\n0.998584 0.000026 -0.000015 Cu\n0.998584 0.499974 0.499985 Cu\n0.498583 0.500027 0.500015 Cu\n0.498583 -0.000026 0.000015 Cu\n0.248658 0.229701 0.910044 S\n0.248658 0.270299 0.410044 S\n0.748659 0.770300 0.089957 S\n0.748659 0.729701 0.589957 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Cu",
"S"
],
"chemical_system": "Cu-K-S",
"density": 2.5635852550537592,
"density_atomic": 0.0343813038777487,
"volume": 349.02690260581716,
"volume_molar": 17.515742804325345,
"formula_full": "K4 Cu4 S4",
"formula_reduced": "KCuS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-57872",
"created_at": "2022-09-04T14:37:54.045849Z",
"updated_at": "2022-09-04T14:37:54.045877Z",
"structure_string": "U4 S8\n1.0\n4.020558 0.000000 0.000000\n0.000000 7.097763 0.000000\n0.000000 0.000000 8.520351\nU S\n4 8\ndirect\n0.250000 0.251697 0.374609 U\n0.750000 0.748302 0.625391 U\n0.250000 0.751697 0.125391 U\n0.750000 0.248302 0.874608 U\n0.250000 0.531139 0.834152 S\n0.750000 0.468860 0.165848 S\n0.250000 0.031139 0.665848 S\n0.750000 0.968860 0.334152 S\n0.250000 0.140052 0.069543 S\n0.750000 0.859948 0.930457 S\n0.250000 0.640052 0.430457 S\n0.750000 0.359948 0.569543 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"U",
"S"
],
"chemical_system": "S-U",
"density": 8.25427972678199,
"density_atomic": 0.04935327017588889,
"volume": 243.144982231846,
"volume_molar": 12.202110900732295,
"formula_full": "U4 S8",
"formula_reduced": "US2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.372685333333333,
"spacegroup": 62
},
{
"id": "jvasp-9133",
"created_at": "2022-09-04T14:37:54.180397Z",
"updated_at": "2022-09-04T14:37:54.180420Z",
"structure_string": "Tl4 F12\n1.0\n4.892478 0.000000 0.000000\n-0.000000 5.953591 0.000000\n0.000000 0.000000 7.115523\nTl F\n4 12\ndirect\n0.961212 0.629133 0.750000 Tl\n0.461212 0.870867 0.250000 Tl\n0.538788 0.129133 0.750000 Tl\n0.038788 0.370867 0.250000 Tl\n0.340998 0.163999 0.432638 F\n0.840999 0.336001 0.567361 F\n0.159002 0.663999 0.067361 F\n0.659002 0.836001 0.932638 F\n0.628234 0.533047 0.250000 F\n0.128233 0.966952 0.750000 F\n0.871767 0.033048 0.250000 F\n0.371767 0.466952 0.750000 F\n0.340998 0.163999 0.067361 F\n0.840999 0.336001 0.932638 F\n0.159002 0.663999 0.432638 F\n0.659002 0.836001 0.567361 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Tl",
"F"
],
"chemical_system": "F-Tl",
"density": 8.376532187696908,
"density_atomic": 0.07719786299127955,
"volume": 207.25962325935623,
"volume_molar": 7.800916407077582,
"formula_full": "Tl4 F12",
"formula_reduced": "TlF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
}
]
}