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=530",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=528",
"results": [
{
"id": "jvasp-97377",
"created_at": "2022-09-04T14:36:11.920413Z",
"updated_at": "2022-09-04T14:36:11.920442Z",
"structure_string": "Rh9 S12\n1.0\n6.157623 -0.017370 -1.345632\n-1.702027 7.367673 -0.277537\n-0.008588 -0.003029 7.566799\nRh S\n9 12\ndirect\n0.548500 0.490706 0.782786 Rh\n0.451498 0.509293 0.217213 Rh\n0.548500 0.782786 0.490706 Rh\n0.945158 0.649643 0.649643 Rh\n0.054840 0.350356 0.350356 Rh\n0.500000 -0.000000 0.000000 Rh\n-0.000001 0.839241 0.160759 Rh\n-0.000000 0.160759 0.839241 Rh\n0.451498 0.217213 0.509293 Rh\n0.613201 0.715702 0.031496 S\n0.898492 0.857304 0.439421 S\n0.386797 0.968503 0.284297 S\n0.386797 0.284298 0.968504 S\n0.613201 0.031496 0.715702 S\n0.110380 0.882084 0.882084 S\n0.889619 0.117915 0.117915 S\n0.898492 0.439421 0.857304 S\n0.101507 0.142696 0.560579 S\n0.101507 0.560579 0.142696 S\n0.271803 0.584751 0.584751 S\n0.728195 0.415249 0.415249 S\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Rh",
"S"
],
"chemical_system": "Rh-S",
"density": 6.347154862207392,
"density_atomic": 0.0612308030597947,
"volume": 342.9646346381009,
"volume_molar": 9.835149073774359,
"formula_full": "Rh9 S12",
"formula_reduced": "Rh3S4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.571039857142857,
"spacegroup": 12
},
{
"id": "jvasp-32223",
"created_at": "2022-09-04T14:36:18.166490Z",
"updated_at": "2022-09-04T14:36:18.166528Z",
"structure_string": "Ni1 H12 Cl2 O6\n1.0\n5.556073 0.030858 2.750520\n1.166058 5.432422 2.750520\n0.072798 0.059165 6.481004\nNi H Cl O\n1 12 2 6\ndirect\n0.000000 0.000000 0.000000 Ni\n0.199330 0.582253 0.280484 H\n0.417746 0.800669 0.719515 H\n0.800670 0.417746 0.719514 H\n0.674907 0.209815 0.766980 H\n0.790183 0.325094 0.233020 H\n0.731519 0.731518 0.842384 H\n0.209816 0.674905 0.766980 H\n0.181350 0.181351 0.452507 H\n0.818650 0.818651 0.547491 H\n0.268482 0.268481 0.157614 H\n0.325094 0.790184 0.233019 H\n0.582253 0.199330 0.280485 H\n0.276213 0.276212 0.826696 Cl\n0.723787 0.723787 0.173305 Cl\n0.715312 0.715310 0.704338 O\n0.284689 0.284688 0.295663 O\n0.834106 0.238999 0.739088 O\n0.761001 0.165894 0.260910 O\n0.239000 0.834105 0.739088 O\n0.165894 0.761000 0.260910 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ni",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Ni-O",
"density": 2.038857320420804,
"density_atomic": 0.10847861910713938,
"volume": 193.58653505037023,
"volume_molar": 5.551454111019063,
"formula_full": "Ni1 H12 Cl2 O6",
"formula_reduced": "NiH12(ClO3)2",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 2.765495311190476,
"spacegroup": 12
},
{
"id": "jvasp-47499",
"created_at": "2022-09-04T14:36:31.833432Z",
"updated_at": "2022-09-04T14:36:31.833458Z",
"structure_string": "Li3 Fe3 P3 O12\n1.0\n2.606321 -4.514281 0.000000\n2.606321 4.514281 -0.000000\n-0.000000 0.000000 12.971233\nLi Fe P O\n3 3 3 12\ndirect\n0.000000 0.000000 0.166667 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.833333 Li\n-0.000000 0.500000 0.666667 Fe\n0.500000 0.500000 0.333333 Fe\n0.500000 -0.000000 0.000000 Fe\n-0.000000 0.500000 0.166667 P\n0.500000 0.500000 0.833333 P\n0.500000 -0.000000 0.500000 P\n0.780697 0.598066 0.766816 O\n0.817369 0.598066 0.233184 O\n0.401933 0.219302 0.899851 O\n0.401933 0.182631 0.433483 O\n0.598066 0.817369 0.433483 O\n0.219302 0.817369 0.566517 O\n0.219302 0.401933 0.766816 O\n0.182631 0.401933 0.233184 O\n0.817369 0.219302 0.100149 O\n0.182631 0.780697 0.100149 O\n0.598066 0.780697 0.899851 O\n0.780697 0.182631 0.566517 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 2.574733235304269,
"density_atomic": 0.06880049235019278,
"volume": 305.2303738338169,
"volume_molar": 8.753048930736504,
"formula_full": "Li3 Fe3 P3 O12",
"formula_reduced": "LiFePO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.449985,
"spacegroup": 180
},
{
"id": "jvasp-104028",
"created_at": "2022-09-04T14:36:34.114477Z",
"updated_at": "2022-09-04T14:36:34.114495Z",
"structure_string": "H12 C5 O4\n1.0\n5.251365 0.133731 -2.787469\n-1.841059 4.919881 -2.787469\n-0.090245 -0.133731 5.944635\nH C O\n12 5 4\ndirect\n0.948638 0.116872 0.687509 H\n0.734270 0.405482 0.131340 H\n0.397070 0.265731 0.671212 H\n0.594518 0.725857 0.328786 H\n0.560990 0.823719 0.756017 H\n0.067701 0.804973 0.243981 H\n0.274142 0.602929 0.868659 H\n0.176281 0.932298 0.737270 H\n0.738873 0.051362 0.168235 H\n0.883128 0.570637 0.831764 H\n0.429362 0.261127 0.312490 H\n0.195027 0.439010 0.262728 H\n0.000000 0.000000 0.000000 C\n0.982588 0.946668 0.711180 C\n0.235487 0.271407 0.288819 C\n0.053332 0.764513 0.035920 C\n0.728593 0.017412 0.964079 C\n0.767805 0.692228 0.430059 O\n0.307772 0.737831 0.075577 O\n0.662253 0.232195 0.924421 O\n0.262169 0.337747 0.569940 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.495195302317874,
"density_atomic": 0.13888713612846276,
"volume": 151.2019081491909,
"volume_molar": 4.335996066928661,
"formula_full": "H12 C5 O4",
"formula_reduced": "H12C5O4",
"formula_anonymous": "A4B5C12",
"energy_above_hull": 4.243426857142857,
"spacegroup": 82
},
{
"id": "jvasp-52218",
"created_at": "2022-09-04T14:36:19.121637Z",
"updated_at": "2022-09-04T14:36:19.121655Z",
"structure_string": "Ti8 O13\n1.0\n6.485873 -0.003506 -0.002804\n1.826584 6.223354 -0.002804\n1.826584 1.366753 6.071420\nTi O\n8 13\ndirect\n0.058797 0.316845 0.875036 Ti\n0.277167 0.277167 0.277167 Ti\n0.316845 0.875035 0.058799 Ti\n0.124963 0.941201 0.683155 Ti\n0.875036 0.058797 0.316847 Ti\n0.683153 0.124963 0.941203 Ti\n0.722832 0.722831 0.722834 Ti\n0.941201 0.683153 0.124965 Ti\n0.741588 0.419329 0.828974 O\n0.795893 0.041055 0.643557 O\n0.643556 0.795892 0.041057 O\n0.419329 0.828972 0.741590 O\n0.580669 0.171026 0.258412 O\n0.041055 0.643556 0.795894 O\n0.204106 0.958943 0.356444 O\n0.258411 0.580669 0.171027 O\n0.958944 0.356442 0.204108 O\n0.171026 0.258411 0.580670 O\n0.000000 0.000000 0.000000 O\n0.356442 0.204106 0.958945 O\n0.828972 0.741588 0.419331 O\n",
"nsites": 21,
"nelements": 2,
"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.002612552039837,
"density_atomic": 0.08566019023860934,
"volume": 245.15472054759385,
"volume_molar": 7.0302677862670215,
"formula_full": "Ti8 O13",
"formula_reduced": "Ti8O13",
"formula_anonymous": "A8B13",
"energy_above_hull": 3.590924388888889,
"spacegroup": 148
},
{
"id": "jvasp-89294",
"created_at": "2022-09-04T14:36:12.149208Z",
"updated_at": "2022-09-04T14:36:12.149232Z",
"structure_string": "Ce2 Fe12 P7\n1.0\n8.991304 -0.000000 -0.000000\n-4.495652 7.786698 0.000000\n0.000000 0.000000 3.661468\nCe Fe P\n2 12 7\ndirect\n0.666667 0.333333 0.500000 Ce\n0.333333 0.666667 0.000000 Ce\n0.429407 0.062273 0.000000 Fe\n0.901010 0.116524 0.500000 Fe\n0.215514 0.098990 0.500000 Fe\n0.564884 0.946147 0.500000 Fe\n0.053853 0.618736 0.500000 Fe\n0.883476 0.784487 0.500000 Fe\n0.727900 0.878216 0.000000 Fe\n0.121784 0.849684 0.000000 Fe\n0.150316 0.272100 0.000000 Fe\n0.937727 0.367135 0.000000 Fe\n0.632865 0.570593 0.000000 Fe\n0.381264 0.435117 0.500000 Fe\n0.604815 0.708725 0.500000 P\n0.405214 0.300657 0.000000 P\n0.895443 0.594786 0.000000 P\n0.699343 0.104557 0.000000 P\n0.103910 0.395185 0.500000 P\n0.291275 0.896090 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ce",
"Fe",
"P"
],
"chemical_system": "Ce-Fe-P",
"density": 7.56064383327556,
"density_atomic": 0.08191964071968409,
"volume": 256.34878053065006,
"volume_molar": 7.351278285761534,
"formula_full": "Ce2 Fe12 P7",
"formula_reduced": "Ce2Fe12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 3.974023119047619,
"spacegroup": 174
},
{
"id": "jvasp-122489",
"created_at": "2022-09-04T14:38:50.625067Z",
"updated_at": "2022-09-04T14:38:50.625095Z",
"structure_string": "Ca3 Ru4 O14\n1.0\n6.264325 0.000000 3.616710\n-4.176216 5.849002 0.000000\n-0.000000 -0.000000 7.233419\nCa Ru O\n3 4 14\ndirect\n0.499999 0.500000 0.500000 Ca\n-0.000000 0.500000 0.000000 Ca\n-0.000000 0.500000 0.500000 Ca\n0.499999 0.500000 0.000000 Ru\n0.500000 -0.000000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.754645 0.068188 0.686458 O\n0.748709 0.679039 0.069672 O\n0.748709 0.679039 0.681620 O\n0.754645 0.068188 0.058898 O\n0.360657 0.679039 0.069671 O\n0.127085 0.068188 0.686458 O\n0.251290 0.320961 0.318381 O\n0.251290 0.320961 0.930329 O\n0.762754 0.394132 0.368623 O\n0.245354 0.931812 0.941103 O\n0.639341 0.320961 0.930330 O\n0.872914 0.931812 0.313543 O\n0.245354 0.931812 0.313543 O\n0.237244 0.605867 0.631378 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Ca",
"Ru",
"O"
],
"chemical_system": "Ca-O-Ru",
"density": 4.689693691670044,
"density_atomic": 0.07923546682722192,
"volume": 265.03282987897154,
"volume_molar": 7.600309559772859,
"formula_full": "Ca3 Ru4 O14",
"formula_reduced": "Ca3(Ru2O7)2",
"formula_anonymous": "A3B4C14",
"energy_above_hull": 2.966309631428572,
"spacegroup": 166
},
{
"id": "jvasp-122057",
"created_at": "2022-09-04T14:38:54.301838Z",
"updated_at": "2022-09-04T14:38:54.301871Z",
"structure_string": "Dy2 Mn12 P7\n1.0\n9.115308 0.000000 0.000000\n-4.557655 7.894088 0.000000\n-0.000000 -0.000000 3.659229\nDy Mn P\n2 12 7\ndirect\n0.666667 0.333333 -0.000000 Dy\n0.333334 0.666667 0.500000 Dy\n0.784957 0.882380 0.500000 Mn\n0.097424 0.215044 0.500000 Mn\n0.117621 0.902577 0.500000 Mn\n0.430104 0.387795 0.500000 Mn\n0.957692 0.569897 0.500000 Mn\n0.612206 0.042309 0.500000 Mn\n0.274848 0.154971 -0.000000 Mn\n0.880124 0.725152 -0.000000 Mn\n0.570017 0.615323 -0.000000 Mn\n0.045306 0.429983 -0.000000 Mn\n0.384678 0.954694 -0.000000 Mn\n0.845029 0.119877 -0.000000 Mn\n0.880629 0.282465 0.500000 P\n0.123326 0.719124 -0.000000 P\n0.280877 0.404202 -0.000000 P\n0.595799 0.876675 -0.000000 P\n0.717535 0.598164 0.500000 P\n0.401836 0.119372 0.500000 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Dy",
"Mn",
"P"
],
"chemical_system": "Dy-Mn-P",
"density": 7.5745276588984005,
"density_atomic": 0.07975471995643638,
"volume": 263.3073003261828,
"volume_molar": 7.550826789046984,
"formula_full": "Dy2 Mn12 P7",
"formula_reduced": "Dy2Mn12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 4.466759447454844,
"spacegroup": 174
},
{
"id": "jvasp-119487",
"created_at": "2022-09-04T14:38:49.884998Z",
"updated_at": "2022-09-04T14:38:49.885023Z",
"structure_string": "Sb8 Cl2 O11\n1.0\n4.176857 0.046495 0.230259\n1.610475 8.657238 1.272040\n0.008385 0.094337 11.227260\nSb Cl O\n8 2 11\ndirect\n0.670999 0.519502 0.858238 Sb\n0.329004 0.480498 0.141762 Sb\n0.300082 0.042391 0.683700 Sb\n0.699921 0.957609 0.316300 Sb\n0.870050 0.850326 0.939593 Sb\n0.129953 0.149674 0.060407 Sb\n0.233858 0.449077 0.640816 Sb\n0.766145 0.550923 0.359184 Sb\n0.907704 0.193256 0.511258 Cl\n0.092299 0.806744 0.488742 Cl\n0.500000 -0.000000 0.000000 O\n0.434596 0.248852 0.142987 O\n0.565407 0.751148 0.857013 O\n0.085841 0.003291 0.211560 O\n0.714627 0.490484 0.684622 O\n0.822268 0.455247 0.199941 O\n0.177735 0.544753 0.800059 O\n0.285376 0.509516 0.315378 O\n0.286868 0.240856 0.744728 O\n0.914161 -0.003291 0.788440 O\n0.713135 0.759144 0.255272 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Sb",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sb",
"density": 5.0104004309874695,
"density_atomic": 0.05189604919343994,
"volume": 404.655081193629,
"volume_molar": 11.604237419986964,
"formula_full": "Sb8 Cl2 O11",
"formula_reduced": "Sb8Cl2O11",
"formula_anonymous": "A2B8C11",
"energy_above_hull": 2.3266154969047617,
"spacegroup": 2
},
{
"id": "jvasp-120447",
"created_at": "2022-09-04T14:38:50.726956Z",
"updated_at": "2022-09-04T14:38:50.726990Z",
"structure_string": "Yb2 Mn12 P7\n1.0\n9.356401 -0.000000 0.000000\n-4.678200 8.102881 0.000000\n-0.000000 -0.000000 3.511616\nYb Mn P\n2 12 7\ndirect\n0.333333 0.666667 -0.000000 Yb\n0.666667 0.333333 0.500001 Yb\n0.231392 0.100163 0.500001 Mn\n0.899837 0.131229 0.500001 Mn\n0.868771 0.768608 0.500001 Mn\n0.567142 0.951158 0.500001 Mn\n0.048842 0.615984 0.500001 Mn\n0.384015 0.432857 0.500001 Mn\n0.724652 0.881630 -0.000000 Mn\n0.118370 0.843022 -0.000000 Mn\n0.429414 0.051121 -0.000000 Mn\n0.948879 0.378293 -0.000000 Mn\n0.621707 0.570586 -0.000000 Mn\n0.156978 0.275348 -0.000000 Mn\n0.124166 0.414343 0.500001 P\n0.877625 0.587743 -0.000000 P\n0.710118 0.122374 -0.000000 P\n0.412257 0.289882 -0.000000 P\n0.290177 0.875834 0.500001 P\n0.585657 0.709823 0.500001 P\n0.000000 0.000000 0.000000 P\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Yb",
"Mn",
"P"
],
"chemical_system": "Mn-P-Yb",
"density": 7.622884231159379,
"density_atomic": 0.07887947076209197,
"volume": 266.22896676548464,
"volume_molar": 7.634611010719573,
"formula_full": "Yb2 Mn12 P7",
"formula_reduced": "Yb2Mn12P7",
"formula_anonymous": "A2B7C12",
"energy_above_hull": 4.202556037931034,
"spacegroup": 174
},
{
"id": "jvasp-120511",
"created_at": "2022-09-04T14:38:50.971211Z",
"updated_at": "2022-09-04T14:38:50.971235Z",
"structure_string": "Nd2 Co17 N2\n1.0\n6.322102 0.013223 0.681371\n0.588785 6.294639 0.681371\n0.017998 0.016427 6.411442\nNd Co N\n2 17 2\ndirect\n0.651647 0.651646 0.658946 Nd\n0.348354 0.348354 0.341053 Nd\n0.000000 0.500000 -0.000000 Co\n0.500000 -0.000000 -0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.281078 0.718923 -0.000000 Co\n0.720807 0.000868 0.277730 Co\n-0.000868 0.279193 0.722269 Co\n0.279193 -0.000868 0.722269 Co\n0.000869 0.720807 0.277730 Co\n0.718923 0.281077 -0.000000 Co\n0.657284 0.141313 0.662441 Co\n0.141313 0.657284 0.662440 Co\n0.653165 0.653164 0.130566 Co\n0.342717 0.858688 0.337559 Co\n0.858688 0.342716 0.337559 Co\n0.346836 0.346836 0.869433 Co\n0.096104 0.096104 0.093006 Co\n0.903897 0.903896 0.906993 Co\n0.000001 0.500000 0.500000 N\n0.500000 0.000000 0.500000 N\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Nd",
"Co",
"N"
],
"chemical_system": "Co-N-Nd",
"density": 8.586596808961847,
"density_atomic": 0.08236765186001337,
"volume": 254.95445755440758,
"volume_molar": 7.311293479914704,
"formula_full": "Nd2 Co17 N2",
"formula_reduced": "Nd2Co17N2",
"formula_anonymous": "A2B2C17",
"energy_above_hull": 4.184820704761905,
"spacegroup": 12
},
{
"id": "jvasp-116711",
"created_at": "2022-09-04T14:38:51.227218Z",
"updated_at": "2022-09-04T14:38:51.227243Z",
"structure_string": "Ce9 Se6 N3 O3\n1.0\n12.395878 0.005059 1.153687\n11.745273 3.963128 1.153687\n-0.007940 -0.001305 9.342250\nCe Se N O\n9 6 3 3\ndirect\n0.461716 0.461715 0.678889 Ce\n0.539075 0.539075 0.320461 Ce\n0.090046 0.090045 0.649246 Ce\n0.907699 0.907700 0.351036 Ce\n0.187626 0.187626 0.008060 Ce\n0.812725 0.812724 0.991808 Ce\n0.000355 0.000352 0.995154 Ce\n0.280136 0.280134 0.662312 Ce\n0.719771 0.719772 0.338103 Ce\n0.689397 0.689397 0.676168 Se\n0.310429 0.310429 0.326359 Se\n0.588826 0.588825 0.974200 Se\n0.867359 0.867359 0.671203 Se\n0.132321 0.132320 0.327053 Se\n0.411945 0.411946 0.034571 Se\n0.277029 0.277027 0.900181 N\n0.723691 0.723692 0.100355 N\n0.001327 0.001325 0.755821 N\n0.552596 0.552595 0.563234 O\n0.447397 0.447397 0.429073 O\n0.998538 0.998539 0.246720 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ce",
"Se",
"N",
"O"
],
"chemical_system": "Ce-N-O-Se",
"density": 6.609873185013887,
"density_atomic": 0.04580814918432559,
"volume": 458.433714828751,
"volume_molar": 13.146439808706848,
"formula_full": "Ce9 Se6 N3 O3",
"formula_reduced": "Ce3Se2NO",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.418412854761905,
"spacegroup": 8
}
]
}