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=-nsites&page=410",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=408",
"results": [
{
"id": "jvasp-5299",
"created_at": "2022-09-04T14:37:02.791051Z",
"updated_at": "2022-09-04T14:37:02.791064Z",
"structure_string": "K4 B4 H16\n1.0\n3.391566 0.000000 0.000000\n0.000000 7.971067 0.000000\n0.000000 0.000000 8.653797\nK B H\n4 4 16\ndirect\n0.750001 0.213381 0.288052 K\n0.250000 0.786620 0.711948 K\n0.250000 0.286619 0.788053 K\n0.750001 0.713381 0.211948 K\n0.750001 0.974979 0.956980 B\n0.250000 0.025021 0.043020 B\n0.250000 0.525021 0.456980 B\n0.750001 0.474979 0.543020 B\n0.250000 0.183123 0.069691 H\n0.750001 0.816877 0.930309 H\n0.750001 0.028463 0.815215 H\n0.250000 0.971537 0.184785 H\n0.250000 0.471537 0.315215 H\n0.750001 0.528464 0.684786 H\n0.861262 0.898212 0.453324 H\n0.138739 0.101788 0.546677 H\n0.138739 0.601789 -0.046676 H\n0.638739 0.398212 0.046676 H\n0.250000 0.683123 0.430309 H\n0.638739 0.898212 0.453324 H\n0.861262 0.398212 0.046676 H\n0.361262 0.601789 -0.046676 H\n0.361262 0.101788 0.546677 H\n0.750001 0.316877 0.569691 H\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"B",
"H"
],
"chemical_system": "B-H-K",
"density": 1.5314581365642752,
"density_atomic": 0.10258593141800908,
"volume": 233.95020806709536,
"volume_molar": 5.870337849213899,
"formula_full": "K4 B4 H16",
"formula_reduced": "KBH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.534495097222223,
"spacegroup": 62
},
{
"id": "jvasp-19025",
"created_at": "2022-09-04T14:36:50.821919Z",
"updated_at": "2022-09-04T14:36:50.821946Z",
"structure_string": "P8 Pd8 Se8\n1.0\n5.899200 -0.000000 0.000000\n0.000000 5.936904 0.000000\n0.000000 0.000000 13.896693\nP Pd Se\n8 8 8\ndirect\n0.623825 0.287053 0.078376 P\n0.623825 0.212946 0.921624 P\n0.876175 0.787053 0.421624 P\n0.876175 0.712946 0.578376 P\n0.376175 0.712946 0.921624 P\n0.376175 0.787053 0.078376 P\n0.123825 0.212946 0.578376 P\n0.123825 0.287053 0.421624 P\n0.259293 0.154984 0.108674 Pd\n0.259293 0.345016 0.891326 Pd\n0.240707 0.654983 0.391326 Pd\n0.240707 0.845016 0.608674 Pd\n0.740707 0.845016 0.891326 Pd\n0.740707 0.654983 0.108674 Pd\n0.759294 0.345016 0.608674 Pd\n0.759294 0.154984 0.391326 Pd\n0.366097 0.040309 0.343517 Se\n0.366097 0.459691 0.656483 Se\n0.133903 0.540309 0.156483 Se\n0.133903 0.959690 0.843517 Se\n0.633903 0.959690 0.656483 Se\n0.633903 0.540309 0.343517 Se\n0.866097 0.459691 0.843517 Se\n0.866097 0.040309 0.156483 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"P",
"Pd",
"Se"
],
"chemical_system": "P-Pd-Se",
"density": 5.9052586657724895,
"density_atomic": 0.04931132039448608,
"volume": 486.7036576591781,
"volume_molar": 12.212491395126762,
"formula_full": "P8 Pd8 Se8",
"formula_reduced": "PPdSe",
"formula_anonymous": "ABC",
"energy_above_hull": 1.663854855555556,
"spacegroup": 60
},
{
"id": "jvasp-11974",
"created_at": "2022-09-04T14:36:50.164685Z",
"updated_at": "2022-09-04T14:36:50.164698Z",
"structure_string": "Nb6 Co18\n1.0\n4.708322 0.000000 0.000000\n-2.354162 4.077527 -0.000000\n0.000000 0.000000 15.429123\nNb Co\n6 18\ndirect\n0.333333 0.666668 0.671034 Nb\n0.000000 0.000000 0.398621 Nb\n0.000000 0.000000 0.588004 Nb\n0.000000 0.000000 0.898621 Nb\n0.666667 0.333333 0.171034 Nb\n0.000000 0.000000 0.088004 Nb\n0.999837 0.499919 0.498436 Co\n0.666667 0.333333 0.623737 Co\n0.499918 0.500082 0.998435 Co\n0.164883 0.329765 0.249906 Co\n0.333333 0.666668 0.123737 Co\n0.333333 0.666668 0.851405 Co\n0.500082 0.000163 0.498436 Co\n0.835117 0.670236 0.749906 Co\n0.666667 0.333333 0.872172 Co\n0.670236 0.835118 0.249906 Co\n0.333333 0.666668 0.372172 Co\n0.164883 0.835118 0.249906 Co\n0.329764 0.164883 0.749906 Co\n0.666667 0.333333 0.351405 Co\n0.835117 0.164883 0.749906 Co\n0.499919 0.999838 0.998435 Co\n0.000163 0.500082 0.998435 Co\n0.500082 0.499919 0.498436 Co\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Nb",
"Co"
],
"chemical_system": "Co-Nb",
"density": 9.071657737781956,
"density_atomic": 0.08102275356400866,
"volume": 296.21308761173856,
"volume_molar": 7.432653785633757,
"formula_full": "Nb6 Co18",
"formula_reduced": "NbCo3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.802188025,
"spacegroup": 186
},
{
"id": "jvasp-50657",
"created_at": "2022-09-04T14:37:03.392856Z",
"updated_at": "2022-09-04T14:37:03.392876Z",
"structure_string": "Li2 Si2 Bi6 O14\n1.0\n4.250271 -7.361684 -0.000000\n4.250270 7.361684 -0.000000\n0.000000 0.000000 5.215674\nLi Si Bi O\n2 2 6 14\ndirect\n0.000000 0.000000 0.015102 Li\n0.000000 0.000000 0.515102 Li\n0.333333 0.666667 0.172780 Si\n0.666667 0.333333 0.672779 Si\n0.261637 0.357552 0.704139 Bi\n0.642448 0.904084 0.704139 Bi\n0.095916 0.738363 0.704139 Bi\n0.904084 0.261637 0.204139 Bi\n0.357552 0.095915 0.204139 Bi\n0.738363 0.642447 0.204139 Bi\n0.872009 0.468529 0.550809 O\n0.666667 0.333333 0.988014 O\n0.227032 0.082559 0.825685 O\n0.596519 0.127991 0.550809 O\n0.082560 0.855527 0.325686 O\n0.917440 0.144473 0.825685 O\n0.468529 0.596519 0.050809 O\n0.772967 0.917440 0.325686 O\n0.333333 0.666667 0.488014 O\n0.127991 0.531471 0.050809 O\n0.531471 0.403481 0.550809 O\n0.144473 0.227032 0.325686 O\n0.403481 0.872009 0.050809 O\n0.855527 0.772967 0.825685 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O-Si",
"density": 7.875268992176894,
"density_atomic": 0.07353211629769414,
"volume": 326.38799491145073,
"volume_molar": 8.189810198878835,
"formula_full": "Li2 Si2 Bi6 O14",
"formula_reduced": "LiSiBi3O7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.2223113333333337,
"spacegroup": 173
},
{
"id": "jvasp-58917",
"created_at": "2022-09-04T14:36:53.794607Z",
"updated_at": "2022-09-04T14:36:53.794631Z",
"structure_string": "Si6 C2 Cl16\n1.0\n8.452984 0.018176 -0.035100\n-1.823454 8.691548 0.141890\n-3.973014 -1.788021 7.901975\nSi C Cl\n6 2 16\ndirect\n0.112358 0.429862 0.604724 Si\n0.887643 0.570139 0.395276 Si\n0.691738 0.203831 0.338527 Si\n0.308263 0.796170 0.661474 Si\n0.982824 0.283897 0.216463 Si\n0.017177 0.716104 0.783538 Si\n0.909827 0.357188 0.377745 C\n0.090174 0.642812 0.622255 C\n0.237824 0.792307 0.020818 Cl\n0.762177 0.207694 0.979183 Cl\n0.899681 0.897410 0.724667 Cl\n0.100320 0.102590 0.275334 Cl\n0.372495 0.786065 0.468345 Cl\n0.627506 0.213936 0.531656 Cl\n0.532669 0.777178 0.870413 Cl\n0.904361 0.685248 0.215059 Cl\n0.283579 0.019079 0.699000 Cl\n0.716421 -0.019078 0.301001 Cl\n0.169668 0.452145 0.193598 Cl\n0.095640 0.314753 0.784941 Cl\n0.643973 0.581929 0.385837 Cl\n0.356028 0.418072 0.614163 Cl\n0.467332 0.222823 0.129588 Cl\n0.830333 0.547856 0.806402 Cl\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Si",
"C",
"Cl"
],
"chemical_system": "C-Cl-Si",
"density": 2.169182185302596,
"density_atomic": 0.04126377381257888,
"volume": 581.6239714042786,
"volume_molar": 14.594255938278252,
"formula_full": "Si6 C2 Cl16",
"formula_reduced": "Si3CCl8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 1.5666623616666664,
"spacegroup": 2
},
{
"id": "jvasp-52391",
"created_at": "2022-09-04T14:37:02.834650Z",
"updated_at": "2022-09-04T14:37:02.834667Z",
"structure_string": "W6 O18\n1.0\n7.456169 0.000000 0.000000\n3.728084 6.457232 -0.000000\n-0.000000 0.000000 7.666770\nW O\n6 18\ndirect\n0.500000 0.500000 0.000000 W\n0.500000 -0.000000 0.000000 W\n-0.000000 0.500000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.500000 -0.000000 0.500000 W\n-0.000000 0.500000 0.500000 W\n-0.000000 0.500000 0.750000 O\n-0.000000 0.500000 0.250000 O\n0.500000 -0.000000 0.750000 O\n0.500000 -0.000000 0.250000 O\n0.785745 0.428508 0.500000 O\n0.785747 0.428506 0.000000 O\n0.214255 0.214255 0.500000 O\n0.214253 0.214253 0.000000 O\n0.428508 0.785745 0.500000 O\n0.785747 0.785747 0.000000 O\n0.500000 0.500000 0.250000 O\n0.428506 0.785747 0.000000 O\n0.214254 0.571491 0.500000 O\n0.214252 0.571493 0.000000 O\n0.571491 0.214255 0.500000 O\n0.571493 0.214253 0.000000 O\n0.785745 0.785745 0.500000 O\n0.500000 0.500000 0.750000 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 6.25764289899898,
"density_atomic": 0.065018459212691,
"volume": 369.125941934278,
"volume_molar": 9.262201585399204,
"formula_full": "W6 O18",
"formula_reduced": "WO3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.224262625,
"spacegroup": 191
},
{
"id": "jvasp-19081",
"created_at": "2022-09-04T14:36:54.696615Z",
"updated_at": "2022-09-04T14:36:54.696628Z",
"structure_string": "K6 B6 O12\n1.0\n7.271538 -0.058638 -2.767291\n-3.996477 6.075104 -2.767291\n-0.031920 -0.058638 7.780241\nK B O\n6 6 12\ndirect\n0.810728 0.249999 0.689271 K\n0.249999 0.689271 0.810728 K\n0.189271 0.749999 0.310728 K\n0.310728 0.189271 0.750000 K\n0.750000 0.310728 0.189271 K\n0.689271 0.810728 0.250000 K\n0.250000 0.363425 0.136575 B\n0.749999 0.636574 0.863424 B\n0.636574 0.863424 0.749999 B\n0.863424 0.749999 0.636575 B\n0.136575 0.250000 0.363425 B\n0.363425 0.136575 0.250000 B\n0.141791 0.358208 0.250000 O\n0.749999 0.533610 0.966389 O\n0.533610 0.966389 0.749999 O\n0.966389 0.749999 0.533610 O\n0.250000 0.466389 0.033610 O\n0.466390 0.033610 0.250000 O\n0.033610 0.250000 0.466389 O\n0.641791 0.749999 0.858208 O\n0.250000 0.141791 0.358208 O\n0.749999 0.858208 0.641791 O\n0.358208 0.250000 0.141791 O\n0.858208 0.641791 0.750000 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"K",
"B",
"O"
],
"chemical_system": "B-K-O",
"density": 2.403730028365432,
"density_atomic": 0.07069191244752539,
"volume": 339.5013541020722,
"volume_molar": 8.518853927555341,
"formula_full": "K6 B6 O12",
"formula_reduced": "KBO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.470656895833333,
"spacegroup": 167
},
{
"id": "jvasp-58988",
"created_at": "2022-09-04T14:37:02.248865Z",
"updated_at": "2022-09-04T14:37:02.248886Z",
"structure_string": "Na12 B4 P8\n1.0\n0.000000 6.968923 0.005450\n9.235015 0.000000 0.000000\n0.000000 -3.259183 -8.516702\nNa B P\n12 4 8\ndirect\n0.736906 0.285341 0.818028 Na\n0.757675 0.932285 0.023460 Na\n0.263094 0.714659 0.181972 Na\n0.736906 0.214659 0.318028 Na\n0.778271 0.524139 0.110395 Na\n0.221729 0.024140 0.389605 Na\n0.263094 0.785341 0.681971 Na\n0.778271 0.975860 0.610395 Na\n0.757675 0.567714 0.523460 Na\n0.242325 0.432286 0.476540 Na\n0.242325 0.067714 0.976540 Na\n0.221729 0.475860 0.889605 Na\n0.225490 0.327596 0.182036 B\n0.774510 0.827595 0.317964 B\n0.225490 0.172404 0.682036 B\n0.774510 0.672404 0.817964 B\n0.002923 0.722317 0.364336 P\n0.447267 0.439674 0.231730 P\n0.552733 0.939674 0.268270 P\n0.552733 0.560326 0.768270 P\n0.447267 0.060326 0.731729 P\n0.997077 0.277682 0.635664 P\n0.002923 0.777682 0.864336 P\n0.997077 0.222317 0.135664 P\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"B",
"P"
],
"chemical_system": "B-Na-P",
"density": 1.7179855302015155,
"density_atomic": 0.04379923359769685,
"volume": 547.9547934661126,
"volume_molar": 13.749420401540243,
"formula_full": "Na12 B4 P8",
"formula_reduced": "Na3BP2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.4644450972222225,
"spacegroup": 14
},
{
"id": "jvasp-29847",
"created_at": "2022-09-04T14:37:02.153356Z",
"updated_at": "2022-09-04T14:37:02.153367Z",
"structure_string": "Ti6 H4 O14\n1.0\n7.930088 1.878857 -1.642714\n-7.930088 1.878857 1.642714\n-0.043171 0.000000 9.271685\nTi H O\n6 4 14\ndirect\n0.768831 0.231170 0.785133 Ti\n0.232464 0.767538 0.212404 Ti\n0.824183 0.175818 0.486635 Ti\n0.167426 0.832575 0.522295 Ti\n0.880953 0.119048 0.168319 Ti\n0.117018 0.882983 0.826571 Ti\n0.072332 0.927670 0.242424 H\n0.980838 0.019163 0.469668 H\n-0.000174 0.000174 0.035203 H\n0.954548 0.045454 0.792642 H\n0.291748 0.708254 0.454520 O\n0.703744 0.296257 0.541906 O\n0.352032 0.647969 0.181894 O\n0.649294 0.350707 0.817379 O\n0.010938 0.989063 0.863615 O\n0.990820 0.009182 0.140704 O\n0.173165 0.826836 0.030752 O\n0.923268 0.076733 0.403821 O\n0.132883 0.867119 0.310888 O\n0.862951 0.137050 0.683694 O\n0.763407 0.236594 0.253479 O\n0.829631 0.170371 0.968635 O\n0.076298 0.923704 0.599458 O\n0.237990 0.762012 0.742676 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ti",
"H",
"O"
],
"chemical_system": "H-O-Ti",
"density": 3.0995955219965396,
"density_atomic": 0.08695007034116245,
"volume": 276.0204782564543,
"volume_molar": 6.925975719595363,
"formula_full": "Ti6 H4 O14",
"formula_reduced": "Ti3H2O7",
"formula_anonymous": "A2B3C7",
"energy_above_hull": 3.186217458333334,
"spacegroup": 8
},
{
"id": "jvasp-19082",
"created_at": "2022-09-04T14:36:55.097109Z",
"updated_at": "2022-09-04T14:36:55.097124Z",
"structure_string": "Ba3 Ti6 O15\n1.0\n3.916574 0.000000 0.000000\n-1.958287 8.302396 -1.917749\n0.000000 -0.003330 9.577577\nBa Ti O\n3 6 15\ndirect\n0.369246 0.738493 0.016678 Ba\n0.500000 -0.000000 0.500000 Ba\n0.630753 0.261507 0.983322 Ba\n0.038579 0.077158 0.209715 Ti\n0.961420 0.922843 0.790286 Ti\n0.205902 0.411805 0.373319 Ti\n0.794096 0.588195 0.626681 Ti\n0.832975 0.665953 0.304059 Ti\n0.167023 0.334048 0.695941 Ti\n0.847431 0.694865 0.814041 O\n0.152568 0.305135 0.185959 O\n0.892369 0.784741 0.574241 O\n0.000000 0.000000 0.000000 O\n0.534737 0.069475 0.208800 O\n0.675135 0.350272 0.661196 O\n0.324863 0.649728 0.338804 O\n0.734984 0.469970 0.399462 O\n0.265015 0.530031 0.600539 O\n0.788322 0.576647 0.121837 O\n0.211676 0.423354 0.878163 O\n0.941723 0.883449 0.287751 O\n0.058276 0.116552 0.712249 O\n0.465262 0.930526 0.791200 O\n0.107629 0.215260 0.425759 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 5.008003294010976,
"density_atomic": 0.07706917126794405,
"volume": 311.4085646069805,
"volume_molar": 7.813942541386629,
"formula_full": "Ba3 Ti6 O15",
"formula_reduced": "BaTi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.417871267083333,
"spacegroup": 12
},
{
"id": "jvasp-19100",
"created_at": "2022-09-04T14:37:03.321965Z",
"updated_at": "2022-09-04T14:37:03.321994Z",
"structure_string": "Rb8 C4 O12\n1.0\n0.000000 5.899613 0.162286\n10.220514 0.000000 0.000000\n0.000000 -0.964407 -7.065241\nRb C O\n8 4 12\ndirect\n0.265146 0.265166 0.030433 Rb\n0.734853 0.765166 0.469566 Rb\n0.734853 0.734834 0.969566 Rb\n0.265146 0.234834 0.530433 Rb\n0.240624 0.918050 0.208327 Rb\n0.759375 0.418051 0.291672 Rb\n0.759375 0.081949 0.791672 Rb\n0.240624 0.581949 0.708327 Rb\n0.754498 0.417373 0.749097 C\n0.754498 0.082627 0.249097 C\n0.245501 0.582627 0.250902 C\n0.245501 0.917373 0.750902 C\n0.735140 0.538003 0.688930 O\n0.068362 0.848487 0.779839 O\n0.931637 0.348487 0.720160 O\n0.931637 0.151513 0.220160 O\n0.068362 0.651512 0.279839 O\n0.402662 0.865907 0.665228 O\n0.402663 0.634093 0.165228 O\n0.597336 0.134093 0.334771 O\n0.597336 0.365907 0.834771 O\n0.264859 0.461997 0.311070 O\n0.735140 0.961996 0.188930 O\n0.264859 0.038003 0.811070 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"C",
"O"
],
"chemical_system": "C-O-Rb",
"density": 3.6143253540514286,
"density_atomic": 0.05654858905595863,
"volume": 424.4137723091621,
"volume_molar": 10.649497822201518,
"formula_full": "Rb8 C4 O12",
"formula_reduced": "Rb2CO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.79296175,
"spacegroup": 14
},
{
"id": "jvasp-44443",
"created_at": "2022-09-04T14:36:58.946266Z",
"updated_at": "2022-09-04T14:36:58.946291Z",
"structure_string": "Co6 Sn2 O16\n1.0\n5.657584 0.000019 -0.000029\n-2.828775 4.899583 0.000057\n-0.000008 0.000015 9.346586\nCo Sn O\n6 2 16\ndirect\n0.167479 0.832522 0.213547 Co\n0.167483 0.334976 0.213549 Co\n0.665038 0.832525 0.213547 Co\n0.334960 0.167486 0.713547 Co\n0.832518 0.665044 0.713548 Co\n0.832515 0.167491 0.713550 Co\n0.333347 0.666684 0.491810 Sn\n0.666650 0.333334 0.991810 Sn\n0.844101 0.688210 0.107479 O\n0.666662 0.333342 0.611130 O\n0.515267 0.030537 0.826317 O\n0.515262 0.484738 0.826313 O\n0.688230 0.844131 0.607469 O\n0.311768 0.155900 0.107469 O\n0.484731 0.515270 0.326317 O\n0.000003 0.000006 0.312899 O\n0.155900 0.311805 0.607480 O\n0.999996 0.000003 0.812899 O\n0.969453 0.484735 0.826322 O\n0.333336 0.666681 0.111130 O\n0.030545 0.515280 0.326322 O\n0.155896 0.844106 0.607480 O\n0.484735 0.969475 0.326313 O\n0.844098 0.155904 0.107480 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"Sn",
"O"
],
"chemical_system": "Co-O-Sn",
"density": 5.428669925069695,
"density_atomic": 0.09263332721866484,
"volume": 259.08601926115637,
"volume_molar": 6.501051987244812,
"formula_full": "Co6 Sn2 O16",
"formula_reduced": "Co3SnO8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 2.909775200000001,
"spacegroup": 186
}
]
}