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=formula_anonymous&page=108",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=106",
"results": [
{
"id": "jvasp-24306",
"created_at": "2022-09-04T14:38:18.723087Z",
"updated_at": "2022-09-04T14:38:18.723107Z",
"structure_string": "Ba10 Ta4 Cl4 O18\n1.0\n2.998485 -5.193529 -0.000000\n2.998485 5.193529 0.000000\n0.000000 0.000000 25.086312\nBa Ta Cl O\n10 4 4 18\ndirect\n0.333332 0.666666 0.581033 Ba\n0.333332 0.666666 0.918967 Ba\n0.333332 0.666666 0.172046 Ba\n0.666666 0.333332 0.418967 Ba\n0.666666 0.333332 0.081033 Ba\n0.666666 0.333332 0.672046 Ba\n0.666666 0.333332 0.827954 Ba\n0.333332 0.666666 0.750000 Ba\n0.666666 0.333332 0.250000 Ba\n0.333332 0.666666 0.327954 Ba\n0.000000 0.000000 0.189681 Ta\n0.000000 0.000000 0.689681 Ta\n0.000000 0.000000 0.810319 Ta\n0.000000 0.000000 0.310319 Ta\n0.666666 0.333332 0.952757 Cl\n0.666666 0.333332 0.547243 Cl\n0.333332 0.666666 0.452757 Cl\n0.333332 0.666666 0.047243 Cl\n0.673717 0.836858 0.844744 O\n0.163140 0.836858 0.655256 O\n0.836858 0.163140 0.155256 O\n0.148510 0.851488 0.250000 O\n0.326281 0.163140 0.155256 O\n0.297022 0.148511 0.750000 O\n0.851488 0.148510 0.750000 O\n0.836858 0.673717 0.155256 O\n0.326281 0.163140 0.344744 O\n0.163140 0.326281 0.844744 O\n0.163140 0.326281 0.655256 O\n0.851487 0.702976 0.750000 O\n0.836858 0.163140 0.344744 O\n0.702976 0.851487 0.250000 O\n0.163140 0.836858 0.844744 O\n0.148511 0.297022 0.250000 O\n0.836858 0.673717 0.344744 O\n0.673717 0.836858 0.655256 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-O-Ta",
"density": 5.37031164456582,
"density_atomic": 0.04607562597438909,
"volume": 781.3241651889965,
"volume_molar": 13.070122505437858,
"formula_full": "Ba10 Ta4 Cl4 O18",
"formula_reduced": "Ba5Ta2Cl2O9",
"formula_anonymous": "A2B2C5D9",
"energy_above_hull": 2.209198215833333,
"spacegroup": 194
},
{
"id": "jvasp-25883",
"created_at": "2022-09-04T14:38:32.874050Z",
"updated_at": "2022-09-04T14:38:32.874076Z",
"structure_string": "Ba10 Ru4 Cl4 O18\n1.0\n2.932434 -5.079124 0.000000\n2.932434 5.079124 -0.000000\n0.000000 -0.000000 25.216687\nBa Ru Cl O\n10 4 4 18\ndirect\n0.666666 0.333333 0.829296 Ba\n0.333333 0.666666 0.170704 Ba\n0.333333 0.666666 0.581404 Ba\n0.333333 0.666666 0.329296 Ba\n0.333333 0.666666 0.918596 Ba\n0.666666 0.333333 0.081404 Ba\n0.666666 0.333333 0.418596 Ba\n0.666666 0.333333 0.670704 Ba\n0.666666 0.333333 0.250000 Ba\n0.333333 0.666666 0.750000 Ba\n0.000000 0.000000 0.806173 Ru\n0.000000 0.000000 0.306173 Ru\n0.000000 0.000000 0.193827 Ru\n0.000000 0.000000 0.693827 Ru\n0.333333 0.666666 0.045990 Cl\n0.666666 0.333333 0.954010 Cl\n0.666666 0.333333 0.545990 Cl\n0.333333 0.666666 0.454010 Cl\n0.848764 0.151235 0.750000 O\n0.160390 0.320781 0.655789 O\n0.679218 0.839609 0.655789 O\n0.160390 0.839609 0.844212 O\n0.839609 0.679218 0.344211 O\n0.302469 0.151235 0.750000 O\n0.839609 0.160390 0.344211 O\n0.160390 0.839609 0.655789 O\n0.848764 0.697530 0.750000 O\n0.320781 0.160390 0.344211 O\n0.679218 0.839609 0.844212 O\n0.320781 0.160390 0.155789 O\n0.839609 0.679218 0.155789 O\n0.160390 0.320781 0.844212 O\n0.697530 0.848764 0.250000 O\n0.151235 0.302469 0.250000 O\n0.151235 0.848764 0.250000 O\n0.839609 0.160390 0.155789 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Ba",
"Ru",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-O-Ru",
"density": 4.879613778877639,
"density_atomic": 0.04792558417870715,
"volume": 751.164552648154,
"volume_molar": 12.565607416582264,
"formula_full": "Ba10 Ru4 Cl4 O18",
"formula_reduced": "Ba5Ru2Cl2O9",
"formula_anonymous": "A2B2C5D9",
"energy_above_hull": 1.9441400269444444,
"spacegroup": 194
},
{
"id": "jvasp-50476",
"created_at": "2022-09-04T14:36:45.029316Z",
"updated_at": "2022-09-04T14:36:45.029343Z",
"structure_string": "Ca2 Ti6 N2 O11\n1.0\n3.760512 -0.008709 0.002924\n-1.861929 7.436821 0.007159\n-0.012383 -1.846772 9.376851\nCa Ti N O\n2 6 2 11\ndirect\n0.550883 0.102997 0.732557 Ca\n0.467694 0.936118 0.195275 Ca\n0.126835 0.254807 0.069120 Ti\n0.158974 0.319046 0.434588 Ti\n0.236338 0.473827 0.748754 Ti\n0.776447 0.554202 0.244607 Ti\n0.835046 0.671495 0.570780 Ti\n0.888549 0.778300 0.893836 Ti\n0.293496 0.588297 0.587140 N\n0.937122 0.875577 0.727796 N\n0.846111 0.693535 0.114741 O\n0.355740 0.712676 0.900191 O\n0.238095 0.477458 0.243953 O\n0.751370 0.503901 0.771107 O\n0.055820 0.112499 0.302418 O\n0.640720 0.282595 0.113205 O\n0.143111 0.287325 0.887560 O\n0.116926 0.234866 0.609613 O\n0.876278 0.754497 0.400196 O\n0.696265 0.393684 0.425689 O\n0.000107 0.001372 0.026753 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"Ti",
"N",
"O"
],
"chemical_system": "Ca-N-O-Ti",
"density": 3.6192923149540497,
"density_atomic": 0.08010882773583643,
"volume": 262.143394099446,
"volume_molar": 7.517449612242939,
"formula_full": "Ca2 Ti6 N2 O11",
"formula_reduced": "Ca2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy_above_hull": 3.415318849523809,
"spacegroup": 8
},
{
"id": "jvasp-43498",
"created_at": "2022-09-04T14:36:35.440981Z",
"updated_at": "2022-09-04T14:36:35.440997Z",
"structure_string": "Ba2 Ti6 N2 O11\n1.0\n3.904715 -0.001929 0.000543\n-1.948722 7.728349 -0.006629\n-0.001671 -1.266554 9.168893\nBa Ti N O\n2 6 2 11\ndirect\n0.547833 0.095852 0.773563 Ba\n0.448262 0.896776 0.235643 Ba\n0.113998 0.228240 0.094341 Ti\n0.170665 0.341574 0.439498 Ti\n0.239079 0.478315 0.771718 Ti\n0.750742 0.501735 0.220818 Ti\n0.831653 0.663516 0.559299 Ti\n0.883356 0.766877 0.911590 Ti\n0.639422 0.279093 0.111313 N\n0.997546 0.995281 0.000140 N\n0.831572 0.663343 0.088535 O\n0.358155 0.716471 0.882839 O\n0.298013 0.596233 0.571152 O\n0.243970 0.488179 0.251365 O\n0.074096 0.148447 0.302929 O\n0.702441 0.405124 0.428854 O\n0.167274 0.334749 0.908534 O\n0.130871 0.261920 0.617003 O\n0.875276 0.750806 0.390575 O\n0.755765 0.511710 0.753634 O\n0.925200 0.850586 0.704285 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"N",
"O"
],
"chemical_system": "Ba-N-O-Ti",
"density": 4.597381630456027,
"density_atomic": 0.07591538140093194,
"volume": 276.62378311837347,
"volume_molar": 7.932701711916938,
"formula_full": "Ba2 Ti6 N2 O11",
"formula_reduced": "Ba2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy_above_hull": 3.436228901904762,
"spacegroup": 8
},
{
"id": "jvasp-43509",
"created_at": "2022-09-04T14:37:09.875919Z",
"updated_at": "2022-09-04T14:37:09.875938Z",
"structure_string": "Sr2 Ti6 N2 O11\n1.0\n-3.847129 -0.000569 0.000840\n1.922661 7.548528 -0.005274\n-0.001983 -1.440141 -9.184029\nSr Ti N O\n2 6 2 11\ndirect\n0.553896 0.111131 0.754208 Sr\n0.455087 0.913520 0.221582 Sr\n0.120279 0.243891 0.085002 Ti\n0.164483 0.332331 0.439723 Ti\n0.241023 0.485383 0.755439 Ti\n0.766506 0.536331 0.234267 Ti\n0.833280 0.669888 0.565646 Ti\n0.886006 0.775352 0.892447 Ti\n0.293953 0.591237 0.580533 N\n0.932151 0.867636 0.716414 N\n0.833902 0.671136 0.096063 O\n0.357413 0.718154 0.893970 O\n0.237543 0.478413 0.241290 O\n0.753654 0.510639 0.767961 O\n0.065214 0.133777 0.299081 O\n0.636357 0.276048 0.116161 O\n0.151498 0.306334 0.903479 O\n0.122152 0.247669 0.616552 O\n0.872465 0.748208 0.382137 O\n0.696847 0.397040 0.427168 O\n0.996543 -0.003593 0.019527 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"Ti",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ti",
"density": 4.149121659844341,
"density_atomic": 0.07873350333382372,
"volume": 266.72254009784996,
"volume_molar": 7.648765144447603,
"formula_full": "Sr2 Ti6 N2 O11",
"formula_reduced": "Sr2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy_above_hull": 3.398317981904761,
"spacegroup": 8
},
{
"id": "jvasp-50031",
"created_at": "2022-09-04T14:37:18.068251Z",
"updated_at": "2022-09-04T14:37:18.068265Z",
"structure_string": "Sr2 Ti6 N2 O11\n1.0\n3.849566 -0.002357 -0.000044\n-1.920324 7.512245 0.004905\n-0.000754 -1.496625 9.197391\nSr Ti N O\n2 6 2 11\ndirect\n0.459619 0.916426 0.211459 Sr\n0.553515 0.104223 0.753366 Sr\n0.878354 0.753872 0.900003 Ti\n0.835562 0.668319 0.571837 Ti\n0.768756 0.534729 0.237503 Ti\n0.237550 0.472305 0.768372 Ti\n0.165726 0.328659 0.433542 Ti\n0.123442 0.244110 0.078896 Ti\n0.767533 0.532269 0.751977 N\n0.159822 0.316876 0.902219 N\n0.127937 0.253079 0.612328 O\n0.637636 0.272493 0.124326 O\n0.702378 0.401957 0.429114 O\n0.240644 0.478499 0.244753 O\n0.938956 0.875101 0.711006 O\n0.367410 0.732007 0.897056 O\n0.835529 0.668236 0.091746 O\n0.873485 0.744212 0.382347 O\n0.063717 0.124624 0.307069 O\n0.306000 0.609200 0.566251 O\n-0.000868 0.995476 0.012988 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sr",
"Ti",
"N",
"O"
],
"chemical_system": "N-O-Sr-Ti",
"density": 4.1609429647302285,
"density_atomic": 0.0789578237620847,
"volume": 265.9647771356654,
"volume_molar": 7.6270348814905065,
"formula_full": "Sr2 Ti6 N2 O11",
"formula_reduced": "Sr2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy_above_hull": 3.39772322,
"spacegroup": 8
},
{
"id": "jvasp-43400",
"created_at": "2022-09-04T14:38:10.483001Z",
"updated_at": "2022-09-04T14:38:10.483026Z",
"structure_string": "Ba2 Ti6 N2 O11\n1.0\n0.000000 3.945926 0.000000\n-7.606817 1.972964 -0.046175\n-1.457953 -0.000000 9.120372\nBa Ti N O\n2 6 2 11\ndirect\n0.545789 0.908420 0.764980 Ba\n0.454211 0.091580 0.235020 Ba\n0.121789 0.756420 0.087487 Ti\n0.172151 0.655697 0.441575 Ti\n0.242663 0.514672 0.757378 Ti\n0.757337 0.485328 0.242621 Ti\n0.827849 0.344303 0.558424 Ti\n0.878211 0.243580 0.912513 Ti\n0.703276 0.593448 0.420831 N\n0.296724 0.406552 0.579169 N\n0.873343 0.253314 0.382618 O\n0.837398 0.325206 0.090474 O\n0.362330 0.275341 0.890603 O\n0.243075 0.513851 0.230334 O\n0.074840 0.850318 0.288370 O\n0.637670 0.724659 0.109396 O\n0.162602 0.674795 0.909526 O\n0.126657 0.746686 0.617381 O\n0.925160 0.149682 0.711629 O\n0.756925 0.486149 0.769665 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"N",
"O"
],
"chemical_system": "Ba-N-O-Ti",
"density": 4.641030212070092,
"density_atomic": 0.0766361392120499,
"volume": 274.0221547681784,
"volume_molar": 7.858095177964168,
"formula_full": "Ba2 Ti6 N2 O11",
"formula_reduced": "Ba2Ti6N2O11",
"formula_anonymous": "A2B2C6D11",
"energy_above_hull": 3.43630414,
"spacegroup": 12
},
{
"id": "jvasp-21158",
"created_at": "2022-09-04T14:37:30.400220Z",
"updated_at": "2022-09-04T14:37:30.400247Z",
"structure_string": "Ba2 Ta6 Te2 O21\n1.0\n5.728635 0.000000 0.000000\n-2.864317 8.385278 -0.986500\n0.000000 -0.015876 9.674633\nBa Ta Te O\n2 6 2 21\ndirect\n0.137648 0.275295 0.527272 Ba\n0.862351 0.724704 0.472728 Ba\n0.676651 0.353302 0.175188 Ta\n0.479129 0.958260 0.335763 Ta\n0.520870 0.041740 0.664237 Ta\n0.900233 0.800467 0.080426 Ta\n0.099766 0.199533 0.919574 Ta\n0.323348 0.646698 0.824812 Ta\n0.275259 0.550519 0.246748 Te\n0.724739 0.449480 0.753252 Te\n0.897922 0.292334 0.053849 O\n0.394411 0.292334 0.053849 O\n0.102076 0.707666 0.946151 O\n0.458908 0.436388 0.331546 O\n0.022520 0.563612 0.668454 O\n0.582102 0.164205 0.279454 O\n0.641765 0.283531 0.601819 O\n0.358234 0.716469 0.398181 O\n0.722207 -0.000000 0.500000 O\n0.277792 -0.000000 0.500000 O\n0.605587 0.707666 0.946151 O\n0.824224 0.132276 0.779828 O\n0.691947 0.867724 0.220172 O\n0.175775 0.867724 0.220172 O\n0.308051 0.132276 0.779828 O\n0.000000 0.000000 0.000000 O\n0.208952 0.417903 0.846935 O\n0.791047 0.582097 0.153064 O\n0.417897 0.835795 0.720546 O\n0.977479 0.436388 0.331546 O\n0.541091 0.563612 0.668454 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Ba",
"Ta",
"Te",
"O"
],
"chemical_system": "Ba-O-Ta-Te",
"density": 6.97436657804172,
"density_atomic": 0.0667179093180921,
"volume": 464.6428570206057,
"volume_molar": 9.026273187440779,
"formula_full": "Ba2 Ta6 Te2 O21",
"formula_reduced": "Ba2Ta6Te2O21",
"formula_anonymous": "A2B2C6D21",
"energy_above_hull": 3.74332116688172,
"spacegroup": 12
},
{
"id": "jvasp-49178",
"created_at": "2022-09-04T14:37:16.045896Z",
"updated_at": "2022-09-04T14:37:16.045916Z",
"structure_string": "Ca4 Ta4 O14\n1.0\n6.429857 0.000000 3.712279\n2.143285 6.062127 3.712279\n0.000000 0.000000 7.424560\nCa Ta O\n4 4 14\ndirect\n0.500001 0.500000 0.500000 Ca\n0.500001 0.500000 -0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 -0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ta\n0.500000 -0.000000 -0.000000 Ta\n0.000000 0.500000 -0.000000 Ta\n-0.000000 -0.000000 0.500000 Ta\n0.932171 0.317830 0.317830 O\n0.317830 0.317830 0.932170 O\n0.932171 0.932171 0.317829 O\n0.067830 0.682170 0.682170 O\n0.375000 0.375000 0.375000 O\n0.932171 0.317830 0.932170 O\n0.317831 0.932171 0.317829 O\n0.067830 0.682170 0.067830 O\n0.067830 0.067830 0.682170 O\n0.682171 0.682170 0.067829 O\n0.682171 0.067830 0.682170 O\n0.317831 0.932171 0.932170 O\n0.625001 0.625000 0.625000 O\n0.682171 0.067830 0.067830 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ca",
"Ta",
"O"
],
"chemical_system": "Ca-O-Ta",
"density": 6.358125173123943,
"density_atomic": 0.07601960606600663,
"volume": 289.39902662607517,
"volume_molar": 7.921825791587331,
"formula_full": "Ca4 Ta4 O14",
"formula_reduced": "Ca2Ta2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.938933976363636,
"spacegroup": 227
},
{
"id": "jvasp-49171",
"created_at": "2022-09-04T14:37:10.920531Z",
"updated_at": "2022-09-04T14:37:10.920550Z",
"structure_string": "Nb4 Hg4 O14\n1.0\n6.512620 0.000000 3.760063\n2.170873 6.140157 3.760063\n0.000000 0.000000 7.520126\nNb Hg O\n4 4 14\ndirect\n0.000000 0.000000 0.000000 Nb\n-0.000000 -0.000000 0.500000 Nb\n0.500000 -0.000000 -0.000000 Nb\n-0.000000 0.500000 -0.000000 Nb\n0.500000 0.500000 0.500000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.500000 -0.000000 0.500000 Hg\n0.500000 0.500000 -0.000000 Hg\n0.065146 0.684854 0.065146 O\n0.684854 0.065146 0.684854 O\n0.684854 0.065146 0.065146 O\n0.625000 0.625000 0.625000 O\n0.934854 0.315146 0.315146 O\n0.315145 0.934854 0.315146 O\n0.315146 0.315146 0.934854 O\n0.934853 0.934854 0.315146 O\n0.934854 0.315146 0.934854 O\n0.065146 0.684854 0.684854 O\n0.315145 0.934854 0.934854 O\n0.375000 0.375000 0.375000 O\n0.684853 0.684854 0.065146 O\n0.065146 0.065146 0.684854 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Nb",
"Hg",
"O"
],
"chemical_system": "Hg-Nb-O",
"density": 7.719493916046194,
"density_atomic": 0.07315808841264144,
"volume": 300.7186283478463,
"volume_molar": 8.231681404840256,
"formula_full": "Nb4 Hg4 O14",
"formula_reduced": "Nb2Hg2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.5266465909090905,
"spacegroup": 227
},
{
"id": "jvasp-52089",
"created_at": "2022-09-04T14:38:11.389711Z",
"updated_at": "2022-09-04T14:38:11.389731Z",
"structure_string": "Er4 Ru4 O14\n1.0\n6.193064 -0.000000 3.575567\n2.064355 5.838877 3.575567\n-0.000000 0.000000 7.151135\nEr Ru O\n4 4 14\ndirect\n0.499999 0.500000 0.500000 Er\n-0.000000 0.500000 0.500000 Er\n0.500000 0.000000 0.500000 Er\n0.499999 0.500000 0.000001 Er\n0.000000 0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n-0.000000 0.500000 0.000000 Ru\n0.086370 0.663630 0.086371 O\n0.663629 0.086371 0.663629 O\n0.663629 0.086371 0.086371 O\n0.624999 0.625000 0.625000 O\n0.913628 0.336371 0.336371 O\n0.336370 0.913630 0.336371 O\n0.336370 0.336371 0.913629 O\n0.913628 0.913630 0.336372 O\n0.913628 0.336371 0.913630 O\n0.086370 0.663630 0.663629 O\n0.336370 0.913630 0.913630 O\n0.374999 0.375000 0.375000 O\n0.663628 0.663630 0.086371 O\n0.086370 0.086371 0.663629 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Er",
"Ru",
"O"
],
"chemical_system": "Er-O-Ru",
"density": 8.330713294484195,
"density_atomic": 0.08507712576218136,
"volume": 258.5888956979724,
"volume_molar": 7.078448767573402,
"formula_full": "Er4 Ru4 O14",
"formula_reduced": "Er2Ru2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 2.926731409090909,
"spacegroup": 227
},
{
"id": "jvasp-46370",
"created_at": "2022-09-04T14:38:11.001284Z",
"updated_at": "2022-09-04T14:38:11.001308Z",
"structure_string": "V2 Si2 O7\n1.0\n3.154708 4.161252 -0.018724\n-3.154708 4.161252 0.018724\n-0.939252 0.000000 4.564364\nV Si O\n2 2 7\ndirect\n0.687326 0.687326 -0.000000 V\n0.312673 0.312673 0.000000 V\n0.230412 0.769588 0.405629 Si\n0.769588 0.230411 0.594370 Si\n0.075450 0.596757 0.207965 O\n0.403243 0.924550 0.207965 O\n0.399723 0.600276 0.728492 O\n0.000000 -0.000000 0.500000 O\n0.600276 0.399723 0.271507 O\n0.596757 0.075449 0.792034 O\n0.924550 0.403243 0.792034 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"V",
"Si",
"O"
],
"chemical_system": "O-Si-V",
"density": 3.746538998488474,
"density_atomic": 0.09190306284795036,
"volume": 119.69133192219093,
"volume_molar": 6.552709532611956,
"formula_full": "V2 Si2 O7",
"formula_reduced": "V2Si2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 3.2664054636363637,
"spacegroup": 12
}
]
}