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=1045",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1043",
"results": [
{
"id": "jvasp-99323",
"created_at": "2022-09-04T14:36:40.665574Z",
"updated_at": "2022-09-04T14:36:40.665599Z",
"structure_string": "Sr4 Tb4 O12\n1.0\n6.031965 -0.000000 0.000000\n-0.000000 6.212314 0.000000\n0.000000 0.000000 8.529501\nTb Sr O\n4 4 12\ndirect\n0.500000 0.000000 0.500000 Tb\n0.000000 0.500000 0.000000 Tb\n0.500000 0.000000 0.000000 Tb\n0.000000 0.500000 0.500000 Tb\n0.017596 0.948533 0.750000 Sr\n0.517596 0.551466 0.250000 Sr\n0.482405 0.448534 0.750000 Sr\n0.982405 0.051466 0.250000 Sr\n0.883177 0.551882 0.750000 O\n0.383177 0.948117 0.250000 O\n0.204514 0.207315 0.562635 O\n0.204514 0.207315 0.937365 O\n0.704514 0.292685 0.062635 O\n0.295486 0.707315 0.562635 O\n0.795487 0.792684 0.437365 O\n0.795487 0.792684 0.062635 O\n0.295486 0.707315 0.937365 O\n0.704514 0.292685 0.437365 O\n0.116824 0.448118 0.250000 O\n0.616824 0.051882 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Sr",
"O"
],
"chemical_system": "O-Sr-Tb",
"density": 6.121005494944441,
"density_atomic": 0.06257403480067288,
"volume": 319.6213903052474,
"volume_molar": 9.624025011625497,
"formula_full": "Sr4 Tb4 O12",
"formula_reduced": "SrTbO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.127217042,
"spacegroup": 62
},
{
"id": "jvasp-27519",
"created_at": "2022-09-04T14:36:40.725286Z",
"updated_at": "2022-09-04T14:36:40.725320Z",
"structure_string": "Ca4 Ge4 O12\n1.0\n5.315456 -0.000000 0.000000\n0.000000 5.361686 0.000000\n0.000000 0.000000 7.531362\nCa Ge O\n4 4 12\ndirect\n0.991351 0.041188 0.250000 Ca\n0.491350 0.458812 0.750000 Ca\n0.508650 0.541188 0.250000 Ca\n0.008650 0.958813 0.750000 Ca\n0.000000 0.500000 0.000000 Ge\n0.500000 0.000000 0.000000 Ge\n0.500000 0.000000 0.500000 Ge\n0.000000 0.500000 0.500000 Ge\n0.574974 0.015862 0.750000 O\n0.074975 0.484139 0.250000 O\n0.709445 0.288874 0.038991 O\n0.209445 0.211127 0.961008 O\n0.790556 0.788874 0.461008 O\n0.209445 0.211127 0.538991 O\n0.290556 0.711127 0.961008 O\n0.790556 0.788874 0.038991 O\n0.425026 0.984139 0.250000 O\n0.709445 0.288874 0.461008 O\n0.290556 0.711127 0.538991 O\n0.925027 0.515862 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-O",
"density": 4.9733991675721,
"density_atomic": 0.09317825413099695,
"volume": 214.6423560574821,
"volume_molar": 6.463032406180979,
"formula_full": "Ca4 Ge4 O12",
"formula_reduced": "CaGeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.127167374,
"spacegroup": 62
},
{
"id": "jvasp-99221",
"created_at": "2022-09-04T14:36:41.110565Z",
"updated_at": "2022-09-04T14:36:41.110586Z",
"structure_string": "Cd4 H8 Se4 O16\n1.0\n12.986013 0.000000 0.000000\n0.000000 5.969852 0.000000\n0.000000 -0.000000 5.042563\nCd H Se O\n4 8 4 16\ndirect\n0.774368 0.250000 0.085226 Cd\n0.274368 0.250000 0.414774 Cd\n0.225632 0.750000 0.914774 Cd\n0.725632 0.750000 0.585225 Cd\n0.891882 0.118179 0.537017 H\n0.391882 0.381821 0.962982 H\n0.108118 0.618179 0.462982 H\n0.608117 0.881821 0.037017 H\n0.108118 0.881821 0.462982 H\n0.608117 0.618179 0.037017 H\n0.891882 0.381821 0.537017 H\n0.391882 0.118179 0.962982 H\n0.086228 0.250000 0.005261 Se\n0.586228 0.250000 0.494738 Se\n0.913772 0.750000 -0.005261 Se\n0.413772 0.750000 0.505261 Se\n0.398453 0.250000 0.082412 O\n0.898453 0.250000 0.417588 O\n0.345189 0.531119 0.661076 O\n0.845189 0.968880 0.838923 O\n0.654811 0.031120 0.338924 O\n0.154811 0.468880 0.161076 O\n0.654811 0.468880 0.338924 O\n0.154811 0.031120 0.161076 O\n0.845189 0.531119 0.838923 O\n0.867695 0.750000 0.306381 O\n0.367695 0.750000 0.193618 O\n0.132305 0.250000 0.693618 O\n0.632305 0.250000 0.806381 O\n0.101547 0.750000 0.582412 O\n0.345189 0.968880 0.661076 O\n0.601547 0.750000 0.917588 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Cd",
"H",
"Se",
"O"
],
"chemical_system": "Cd-H-O-Se",
"density": 4.373213841117909,
"density_atomic": 0.08185764529048069,
"volume": 390.9225569150511,
"volume_molar": 7.35684582500484,
"formula_full": "Cd4 H8 Se4 O16",
"formula_reduced": "CdH2SeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.9487446395833328,
"spacegroup": 62
},
{
"id": "jvasp-104097",
"created_at": "2022-09-04T14:36:41.208239Z",
"updated_at": "2022-09-04T14:36:41.208272Z",
"structure_string": "H8 C16 S4\n1.0\n7.451096 0.000000 0.000000\n0.000000 5.603238 0.000000\n0.000000 0.000000 7.792399\nH C S\n8 16 4\ndirect\n0.639387 0.379576 0.080612 H\n0.360613 0.620424 0.580612 H\n0.139387 0.120424 0.080612 H\n0.860614 0.879576 0.580612 H\n0.639394 0.379588 0.416380 H\n0.360607 0.620412 0.916380 H\n0.139394 0.120412 0.416380 H\n0.860607 0.879588 0.916380 H\n0.987486 0.529339 0.587148 C\n0.012514 0.470661 0.087148 C\n0.487486 0.970661 0.587148 C\n0.512514 0.029339 0.087148 C\n0.912782 0.733704 0.658177 C\n0.087219 0.266297 0.158177 C\n0.412781 0.766297 0.658177 C\n0.587219 0.233703 0.158177 C\n0.412781 0.766298 0.838828 C\n0.087219 0.266298 0.338828 C\n0.587220 0.233702 0.338828 C\n0.987486 0.529336 0.909855 C\n0.012514 0.470664 0.409855 C\n0.487486 0.970665 0.909855 C\n0.512515 0.029336 0.409855 C\n0.912781 0.733702 0.838828 C\n0.942161 0.665896 0.248500 S\n0.442160 0.834104 0.248500 S\n0.557840 0.165896 0.748500 S\n0.057840 0.334104 0.748500 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"H",
"C",
"S"
],
"chemical_system": "C-H-S",
"density": 1.6766680178512023,
"density_atomic": 0.08606520762763722,
"volume": 325.33471738245885,
"volume_molar": 6.997183793542807,
"formula_full": "H8 C16 S4",
"formula_reduced": "H2C4S",
"formula_anonymous": "AB2C4",
"energy_above_hull": 5.0959328571428575,
"spacegroup": 62
},
{
"id": "jvasp-59605",
"created_at": "2022-09-04T14:36:41.415071Z",
"updated_at": "2022-09-04T14:36:41.415100Z",
"structure_string": "Er4 Mn4 Si4\n1.0\n4.091643 -0.000000 0.000000\n0.000000 6.895521 0.000000\n0.000000 0.000000 7.418129\nEr Mn Si\n4 4 4\ndirect\n0.250000 0.005082 0.812136 Er\n0.749999 0.994918 0.187865 Er\n0.250000 0.505082 0.687865 Er\n0.749999 0.494918 0.312136 Er\n0.749999 0.857178 0.561445 Mn\n0.250000 0.142822 0.438556 Mn\n0.749999 0.357178 0.938556 Mn\n0.250000 0.642822 0.061444 Mn\n0.250000 0.290148 0.108782 Si\n0.749999 0.709852 0.891218 Si\n0.250000 0.790148 0.391218 Si\n0.749999 0.209852 0.608782 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Er",
"Mn",
"Si"
],
"chemical_system": "Er-Mn-Si",
"density": 7.942924791300499,
"density_atomic": 0.0573352941842214,
"volume": 209.29516750090008,
"volume_molar": 10.503374658984981,
"formula_full": "Er4 Mn4 Si4",
"formula_reduced": "ErMnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.4221952804597704,
"spacegroup": 62
},
{
"id": "jvasp-99325",
"created_at": "2022-09-04T14:36:41.968299Z",
"updated_at": "2022-09-04T14:36:41.968316Z",
"structure_string": "Rb8 Co4 Cl16\n1.0\n7.070423 0.000000 0.000000\n-0.000000 9.298940 0.000000\n0.000000 0.000000 12.391559\nRb Co Cl\n8 4 16\ndirect\n0.750000 0.978802 0.829588 Rb\n0.750000 0.478802 0.670412 Rb\n0.250000 0.521198 0.329588 Rb\n0.750000 0.631809 0.095093 Rb\n0.250000 0.368191 0.904907 Rb\n0.750000 0.131809 0.404907 Rb\n0.250000 0.868191 0.595093 Rb\n0.250000 0.021198 0.170412 Rb\n0.750000 0.228958 0.075794 Co\n0.250000 0.771042 0.924206 Co\n0.750000 0.728958 0.424206 Co\n0.250000 0.271042 0.575794 Co\n0.250000 0.511569 0.597734 Cl\n0.750000 0.488431 0.402266 Cl\n0.493776 0.826172 0.347162 Cl\n0.750000 0.314505 0.905752 Cl\n0.250000 0.685495 0.094248 Cl\n0.750000 0.814505 0.594248 Cl\n0.250000 0.185495 0.405752 Cl\n0.493776 0.326172 0.152838 Cl\n-0.006224 0.673828 0.847162 Cl\n0.006224 0.826172 0.347162 Cl\n0.506224 0.173828 0.652838 Cl\n0.506224 0.673828 0.847162 Cl\n0.006224 0.326172 0.152838 Cl\n-0.006224 0.173828 0.652838 Cl\n0.750000 0.988430 0.097734 Cl\n0.250000 0.011569 0.902266 Cl\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Rb",
"Co",
"Cl"
],
"chemical_system": "Cl-Co-Rb",
"density": 3.03022180278904,
"density_atomic": 0.03436791929404363,
"volume": 814.7132725853651,
"volume_molar": 17.52256430910471,
"formula_full": "Rb8 Co4 Cl16",
"formula_reduced": "Rb2CoCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0841510242857143,
"spacegroup": 62
},
{
"id": "jvasp-59653",
"created_at": "2022-09-04T14:36:42.637909Z",
"updated_at": "2022-09-04T14:36:42.637938Z",
"structure_string": "Ho4 Mn4 Si4\n1.0\n4.114059 0.000000 0.000000\n-0.000000 6.941145 0.000000\n0.000000 0.000000 7.415147\nHo Mn Si\n4 4 4\ndirect\n0.250000 0.503820 0.187538 Ho\n0.750000 0.496179 0.812462 Ho\n0.250000 0.003820 0.312462 Ho\n0.750000 0.996179 0.687539 Ho\n0.750000 0.858180 0.061253 Mn\n0.250000 0.141820 0.938747 Mn\n0.750000 0.358180 0.438747 Mn\n0.250000 0.641819 0.561253 Mn\n0.250000 0.791028 0.891626 Si\n0.750000 0.208971 0.108374 Si\n0.250000 0.291029 0.608374 Si\n0.750000 0.708971 0.391626 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ho",
"Mn",
"Si"
],
"chemical_system": "Ho-Mn-Si",
"density": 7.777832274001486,
"density_atomic": 0.05667086590228525,
"volume": 211.7490143999388,
"volume_molar": 10.626519754230822,
"formula_full": "Ho4 Mn4 Si4",
"formula_reduced": "HoMnSi",
"formula_anonymous": "ABC",
"energy_above_hull": 2.435257136015325,
"spacegroup": 62
},
{
"id": "jvasp-19848",
"created_at": "2022-09-04T14:36:42.390260Z",
"updated_at": "2022-09-04T14:36:42.390271Z",
"structure_string": "Si4 Rh4\n1.0\n3.169788 -0.000000 0.000000\n0.000000 5.592412 0.000000\n0.000000 0.000000 6.387681\nSi Rh\n4 4\ndirect\n0.250000 0.686042 0.059606 Si\n0.750000 0.313957 0.940394 Si\n0.250000 0.186042 0.440394 Si\n0.750000 0.813957 0.559606 Si\n0.250000 0.502561 0.703169 Rh\n0.750000 0.497438 0.296831 Rh\n0.250000 0.002561 0.796831 Rh\n0.750000 0.997438 0.203169 Rh\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"Rh"
],
"chemical_system": "Rh-Si",
"density": 7.68383359732391,
"density_atomic": 0.07065085008205564,
"volume": 113.23289090943142,
"volume_molar": 8.523805096479006,
"formula_full": "Si4 Rh4",
"formula_reduced": "SiRh",
"formula_anonymous": "AB",
"energy_above_hull": 1.6463708,
"spacegroup": 62
},
{
"id": "jvasp-54781",
"created_at": "2022-09-04T14:36:42.852061Z",
"updated_at": "2022-09-04T14:36:42.852078Z",
"structure_string": "Mn4 H4 O8\n1.0\n2.932468 0.000000 0.000000\n-0.000000 4.576425 0.000000\n0.000000 0.000000 10.523034\nMn H O\n4 4 8\ndirect\n0.250000 0.554298 0.639951 Mn\n0.250000 0.945701 0.139951 Mn\n0.750000 0.445701 0.360049 Mn\n0.750000 0.054298 0.860049 Mn\n0.250000 0.902139 0.397703 H\n0.250000 0.597860 0.897703 H\n0.750000 0.097860 0.602297 H\n0.750000 0.402139 0.102297 H\n0.250000 0.198976 0.308849 O\n0.250000 0.301024 0.808849 O\n0.750000 0.801023 0.691150 O\n0.750000 0.698975 0.191151 O\n0.250000 0.695829 0.433626 O\n0.250000 0.804170 0.933626 O\n0.750000 0.304170 0.566374 O\n0.750000 0.195829 0.066374 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 4.136362342491076,
"density_atomic": 0.11329725244971771,
"volume": 141.22142994686422,
"volume_molar": 5.315345809178098,
"formula_full": "Mn4 H4 O8",
"formula_reduced": "MnHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.534446060344828,
"spacegroup": 62
},
{
"id": "jvasp-5203",
"created_at": "2022-09-04T14:36:42.901551Z",
"updated_at": "2022-09-04T14:36:42.901575Z",
"structure_string": "Sb4 S4 I4\n1.0\n4.112822 0.000000 0.000000\n0.000000 8.640639 0.000000\n0.000000 0.000000 10.323999\nSb S I\n4 4 4\ndirect\n0.750000 0.119547 0.124087 Sb\n0.750000 0.619547 0.375913 Sb\n0.250000 0.880453 0.875913 Sb\n0.250000 0.380453 0.624087 Sb\n0.750000 0.343693 0.454481 S\n0.250000 0.656307 0.545519 S\n0.250000 0.156307 0.954481 S\n0.750000 0.843693 0.045519 S\n0.750000 0.510755 0.827838 I\n0.250000 0.489245 0.172162 I\n0.750000 0.010755 0.672162 I\n0.250000 0.989245 0.327838 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"S",
"I"
],
"chemical_system": "I-S-Sb",
"density": 5.082335910312657,
"density_atomic": 0.032707512594330614,
"volume": 366.8881870913055,
"volume_molar": 18.412102548708805,
"formula_full": "Sb4 S4 I4",
"formula_reduced": "SbSI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8195774583333334,
"spacegroup": 62
},
{
"id": "jvasp-54782",
"created_at": "2022-09-04T14:36:43.366109Z",
"updated_at": "2022-09-04T14:36:43.366129Z",
"structure_string": "Mn4 H4 O8\n1.0\n3.008021 -0.000000 0.000000\n-0.000000 4.554145 0.000000\n0.000000 0.000000 10.174767\nMn H O\n4 4 8\ndirect\n0.250000 0.554992 0.640831 Mn\n0.250000 0.945007 0.140831 Mn\n0.750000 0.445007 0.359170 Mn\n0.750000 0.054992 0.859170 Mn\n0.250000 0.905197 0.404929 H\n0.250000 0.594801 0.904929 H\n0.750000 0.094802 0.595072 H\n0.750000 0.405198 0.095072 H\n0.250000 0.199443 0.302952 O\n0.250000 0.300557 0.802952 O\n0.750000 0.800556 0.697048 O\n0.750000 0.699442 0.197048 O\n0.250000 0.698476 0.441194 O\n0.250000 0.801522 0.941194 O\n0.750000 0.301523 0.558807 O\n0.750000 0.198477 0.058807 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"H",
"O"
],
"chemical_system": "H-Mn-O",
"density": 4.1908970224915985,
"density_atomic": 0.11479098749894524,
"volume": 139.38376477636814,
"volume_molar": 5.246179069637618,
"formula_full": "Mn4 H4 O8",
"formula_reduced": "MnHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.5347985603448278,
"spacegroup": 62
},
{
"id": "jvasp-4346",
"created_at": "2022-09-04T14:36:43.941775Z",
"updated_at": "2022-09-04T14:36:43.941807Z",
"structure_string": "P16 S12\n1.0\n6.454982 0.000000 0.000000\n0.000000 9.717414 0.000000\n0.000000 0.000000 10.906181\nP S\n16 12\ndirect\n0.274015 0.367732 0.930652 P\n0.274015 0.132267 0.930652 P\n0.774015 0.867732 0.569348 P\n0.725984 0.632267 0.069348 P\n0.893789 0.750000 0.919772 P\n0.393789 0.250000 0.580227 P\n0.106210 0.250000 0.080228 P\n0.606210 0.750000 0.419772 P\n0.225984 0.367732 0.430652 P\n0.676317 0.250000 0.323885 P\n0.823682 0.250000 0.823885 P\n0.323682 0.750000 0.676115 P\n0.225984 0.132267 0.430652 P\n0.725984 0.867732 0.069348 P\n0.774015 0.632267 0.569348 P\n0.176317 0.750000 0.176115 P\n0.705172 0.250000 0.518496 S\n0.205173 0.750000 0.981504 S\n0.535691 0.917014 0.695821 S\n0.035691 0.082986 0.804179 S\n0.464309 0.082986 0.304179 S\n0.535691 0.582986 0.695821 S\n0.035691 0.417014 0.804179 S\n0.964309 0.917014 0.195821 S\n0.464309 0.417014 0.304179 S\n0.794827 0.250000 0.018496 S\n0.964309 0.582986 0.195821 S\n0.294827 0.750000 0.481504 S\n",
"nsites": 28,
"nelements": 2,
"elements": [
"P",
"S"
],
"chemical_system": "P-S",
"density": 2.136933717407984,
"density_atomic": 0.04092979684309813,
"volume": 684.0981915286872,
"volume_molar": 14.713341439454265,
"formula_full": "P16 S12",
"formula_reduced": "P4S3",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.845728857142857,
"spacegroup": 62
}
]
}