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=-volume&page=222",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=220",
"results": [
{
"id": "jvasp-119618",
"created_at": "2022-09-04T14:38:49.635180Z",
"updated_at": "2022-09-04T14:38:49.635215Z",
"structure_string": "Y6 Al2 Co2 S14\n1.0\n9.483681 -0.000000 0.000000\n-4.741839 8.213109 0.000000\n-0.000000 -0.000000 6.152691\nY Al Co S\n6 2 2 14\ndirect\n0.783283 0.158202 0.225140 Y\n0.374919 0.216717 0.225140 Y\n0.841798 0.625081 0.225140 Y\n0.216717 0.841798 0.725140 Y\n0.625081 0.783283 0.725140 Y\n0.158202 0.374919 0.725140 Y\n0.666667 0.333333 0.652193 Al\n0.333333 0.666667 0.152193 Al\n0.000000 0.000000 0.063896 Co\n0.000000 0.000000 0.563896 Co\n0.435967 0.522364 -0.000127 S\n0.477636 0.913603 -0.000127 S\n0.086397 0.564033 -0.000127 S\n0.564033 0.477636 0.499873 S\n0.522364 0.086397 0.499873 S\n0.913603 0.435967 0.499873 S\n0.225966 0.127287 0.819124 S\n0.774034 0.872713 0.319124 S\n0.127287 0.901320 0.319124 S\n0.901320 0.774034 0.819124 S\n0.666667 0.333333 0.014609 S\n0.872713 0.098680 0.819124 S\n0.098680 0.225966 0.319124 S\n0.333333 0.666667 0.514609 S\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Y",
"Al",
"Co",
"S"
],
"chemical_system": "Al-Co-S-Y",
"density": 3.9991801601651233,
"density_atomic": 0.05007968785698573,
"volume": 479.2362138625468,
"volume_molar": 12.025116404873833,
"formula_full": "Y6 Al2 Co2 S14",
"formula_reduced": "Y3AlCoS7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 2.5965800041666665,
"spacegroup": 173
},
{
"id": "jvasp-22906",
"created_at": "2022-09-04T14:38:18.721254Z",
"updated_at": "2022-09-04T14:38:18.721264Z",
"structure_string": "K2 Sm2 P8 O24\n1.0\n7.174526 0.016914 -1.394145\n-3.435952 6.298281 -1.394145\n0.003951 0.006675 10.582167\nK Sm P O\n2 2 8 24\ndirect\n0.681024 0.318976 0.750001 K\n0.318976 0.681024 0.250001 K\n0.380647 0.619354 0.750001 Sm\n0.619354 0.380646 0.250000 Sm\n0.804659 0.763100 0.064384 P\n0.763101 0.804659 0.564384 P\n0.195341 0.236900 0.935617 P\n0.866741 0.214486 0.501549 P\n0.133260 0.785514 0.498452 P\n0.214486 0.866740 0.001549 P\n0.236899 0.195341 0.435617 P\n0.785514 0.133259 -0.001548 P\n0.324767 0.804260 0.594252 O\n0.416857 0.007547 0.114822 O\n0.992453 0.583143 0.385179 O\n0.583143 0.992453 0.885179 O\n0.007548 0.416857 0.614822 O\n0.195741 0.675234 0.905750 O\n0.141512 -0.008266 0.912547 O\n0.339635 0.363991 0.076835 O\n0.008267 0.858488 0.587454 O\n0.858488 0.008266 0.087454 O\n-0.008267 0.141512 0.412547 O\n0.965234 0.219009 0.923981 O\n0.780991 0.034766 0.576021 O\n0.034767 0.780991 0.076021 O\n0.675234 0.195740 0.405749 O\n0.219009 0.965234 0.423981 O\n0.702627 0.745702 0.683074 O\n0.745703 0.702626 0.183073 O\n0.297373 0.254298 0.316928 O\n0.363992 0.339635 0.576835 O\n0.660366 0.636009 0.923166 O\n0.636009 0.660365 0.423166 O\n0.254298 0.297374 0.816928 O\n0.804260 0.324766 0.094252 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"Sm",
"P",
"O"
],
"chemical_system": "K-O-P-Sm",
"density": 3.5042822034820182,
"density_atomic": 0.07516809103878662,
"volume": 478.92662301912196,
"volume_molar": 8.011565382035023,
"formula_full": "K2 Sm2 P8 O24",
"formula_reduced": "KSm(PO3)4",
"formula_anonymous": "ABC4D12",
"energy_above_hull": 2.751162270833333,
"spacegroup": 15
},
{
"id": "jvasp-86709",
"created_at": "2022-09-04T14:36:05.489198Z",
"updated_at": "2022-09-04T14:36:05.489226Z",
"structure_string": "K4 Nb2 Cl12\n1.0\n6.829117 -0.000000 0.000000\n0.000000 6.829117 0.000000\n0.000000 -0.000000 10.265153\nK Nb Cl\n4 2 12\ndirect\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.500000 0.250000 K\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.298019 0.792644 0.500000 Cl\n0.292644 0.798019 0.000000 Cl\n0.207356 0.298019 0.500000 Cl\n0.707357 0.201981 0.000000 Cl\n0.201981 0.292644 0.000000 Cl\n0.701982 0.207356 0.500000 Cl\n0.500000 0.500000 0.260670 Cl\n0.792644 0.701982 0.500000 Cl\n0.000000 0.000000 0.760670 Cl\n0.500000 0.500000 0.739330 Cl\n0.798019 0.707357 0.000000 Cl\n0.000000 0.000000 0.239330 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Nb",
"Cl"
],
"chemical_system": "Cl-K-Nb",
"density": 2.662645012714576,
"density_atomic": 0.03759914520414807,
"volume": 478.73428776817457,
"volume_molar": 16.01669593099052,
"formula_full": "K4 Nb2 Cl12",
"formula_reduced": "K2NbCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.3694210894444444,
"spacegroup": 128
},
{
"id": "jvasp-86108",
"created_at": "2022-09-04T14:36:21.019432Z",
"updated_at": "2022-09-04T14:36:21.019450Z",
"structure_string": "K4 Nb2 Cl12\n1.0\n6.829187 0.000000 -0.000000\n0.000000 6.829187 0.000000\n-0.000000 0.000000 10.264704\nK Nb Cl\n4 2 12\ndirect\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.500000 0.250000 K\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Nb\n0.298026 0.792623 0.500000 Cl\n0.292623 0.798026 0.000000 Cl\n0.207377 0.298026 0.500000 Cl\n0.707377 0.201974 0.000000 Cl\n0.201974 0.292623 0.000000 Cl\n0.701974 0.207377 0.500000 Cl\n0.500000 0.500000 0.260648 Cl\n0.792623 0.701974 0.500000 Cl\n0.000000 0.000000 0.760648 Cl\n0.500000 0.500000 0.739352 Cl\n0.798026 0.707377 0.000000 Cl\n0.000000 0.000000 0.239352 Cl\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Nb",
"Cl"
],
"chemical_system": "Cl-K-Nb",
"density": 2.662706895494102,
"density_atomic": 0.03760001904936661,
"volume": 478.7231617188028,
"volume_molar": 16.016323694127077,
"formula_full": "K4 Nb2 Cl12",
"formula_reduced": "K2NbCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.369427756111111,
"spacegroup": 128
},
{
"id": "jvasp-98450",
"created_at": "2022-09-04T14:37:51.913112Z",
"updated_at": "2022-09-04T14:37:51.913139Z",
"structure_string": "K4 Ca6 Si6 O20\n1.0\n-4.581065 -5.301520 2.461599\n-4.581065 5.301520 2.461599\n0.028270 0.000000 -9.868922\nK Ca Si O\n4 6 6 20\ndirect\n0.230500 0.478869 0.988846 K\n0.521132 0.769501 0.511154 K\n0.769501 0.521132 0.011154 K\n0.478869 0.230500 0.488846 K\n0.368403 0.631598 0.750000 Ca\n0.631598 0.368403 0.250000 Ca\n0.227479 0.990639 0.985664 Ca\n0.009362 0.772522 0.514336 Ca\n0.772522 0.009362 0.014336 Ca\n0.990639 0.227479 0.485664 Ca\n0.840335 0.159666 0.750000 Si\n0.159666 0.840335 0.250000 Si\n0.853296 0.582287 0.710588 Si\n0.417714 0.146705 0.789412 Si\n0.146705 0.417714 0.289412 Si\n0.582287 0.853296 0.210588 Si\n0.026222 0.857029 0.090125 O\n0.142972 0.973779 0.409876 O\n0.699234 0.070035 0.277481 O\n0.929966 0.300767 0.222519 O\n0.300767 0.929966 0.722519 O\n0.070035 0.699234 0.777481 O\n0.785994 0.499391 0.520099 O\n0.500610 0.214007 0.979901 O\n0.214007 0.500610 0.479901 O\n0.309510 0.309631 0.728991 O\n0.612777 0.122149 0.737420 O\n0.877853 0.387224 0.762581 O\n0.387224 0.877853 0.262581 O\n0.122149 0.612777 0.237420 O\n0.690491 0.690370 0.271009 O\n0.309631 0.309510 0.228991 O\n0.857029 0.026222 0.590125 O\n0.690370 0.690491 0.771009 O\n0.499391 0.785994 0.020099 O\n0.973779 0.142972 0.909875 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"K",
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-K-O-Si",
"density": 3.071655476611446,
"density_atomic": 0.07521508140959421,
"volume": 478.62741521154487,
"volume_molar": 8.006560183330246,
"formula_full": "K4 Ca6 Si6 O20",
"formula_reduced": "K2Ca3Si3O10",
"formula_anonymous": "A2B3C3D10",
"energy_above_hull": 1.9499671144444444,
"spacegroup": 15
},
{
"id": "jvasp-89402",
"created_at": "2022-09-04T14:36:17.378446Z",
"updated_at": "2022-09-04T14:36:17.378458Z",
"structure_string": "Na10 P6 O20\n1.0\n5.353757 0.000000 0.000000\n-2.676878 4.812385 -0.591259\n0.000000 -0.029111 18.579581\nNa P O\n10 6 20\ndirect\n0.346837 0.652353 0.067013 Na\n0.889667 0.928296 0.824542 Na\n0.461372 0.071706 0.675458 Na\n0.194485 0.347648 0.432987 Na\n0.653164 0.347648 0.932987 Na\n0.538629 0.928295 0.324542 Na\n0.000000 0.000000 0.000000 Na\n0.110334 0.071706 0.175458 Na\n0.805516 0.652353 0.567013 Na\n0.500000 0.000000 0.500000 Na\n0.144688 0.336153 0.598714 P\n0.691465 0.336153 0.098714 P\n0.101108 0.500001 0.750000 P\n0.898893 0.500001 0.250000 P\n0.308535 0.663848 0.901285 P\n0.855313 0.663848 0.401286 P\n0.830845 0.248810 0.766643 O\n0.738697 0.584168 0.313811 O\n0.756948 0.594482 0.062883 O\n0.662466 0.405519 0.437117 O\n0.917966 0.248810 0.266644 O\n0.935224 0.267871 0.097115 O\n0.167352 0.732130 0.402885 O\n0.337535 0.594482 0.562883 O\n0.601859 0.909812 0.924894 O\n0.261304 0.415833 0.686189 O\n0.398142 0.090189 0.075106 O\n0.807955 0.909812 0.424894 O\n0.082035 0.751191 0.733356 O\n0.192046 0.090189 0.575106 O\n0.243053 0.405519 0.937117 O\n0.169155 0.751191 0.233356 O\n0.654530 0.415833 0.186189 O\n0.832649 0.267871 0.597115 O\n0.064777 0.732130 0.902884 O\n0.345471 0.584168 0.813811 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Na",
"P",
"O"
],
"chemical_system": "Na-O-P",
"density": 2.552673172545533,
"density_atomic": 0.07521962719185532,
"volume": 478.59849010123827,
"volume_molar": 8.006076319203121,
"formula_full": "Na10 P6 O20",
"formula_reduced": "Na5P3O10",
"formula_anonymous": "A3B5C10",
"energy_above_hull": 1.929690916666667,
"spacegroup": 15
},
{
"id": "jvasp-61792",
"created_at": "2022-09-04T14:36:09.390498Z",
"updated_at": "2022-09-04T14:36:09.390521Z",
"structure_string": "Sc6 Al16 Os7\n1.0\n-0.000000 6.207351 6.207351\n6.207351 0.000000 6.207351\n6.207351 6.207351 0.000000\nSc Al Os\n6 16 7\ndirect\n0.713935 0.286065 0.713935 Sc\n0.713935 0.286065 0.286065 Sc\n0.286065 0.713935 0.713935 Sc\n0.286065 0.286065 0.713935 Sc\n0.713935 0.713935 0.286065 Sc\n0.286065 0.713935 0.286065 Sc\n0.014751 0.661750 0.661750 Al\n0.661750 0.014751 0.661750 Al\n0.661750 0.661750 0.661750 Al\n0.985249 0.338250 0.338250 Al\n0.120760 0.637720 0.120760 Al\n0.338250 0.338250 0.338250 Al\n0.120760 0.120760 0.120760 Al\n0.120760 0.120760 0.637720 Al\n0.637720 0.120760 0.120760 Al\n0.879240 0.879240 0.879240 Al\n0.338250 0.338250 0.985249 Al\n0.661750 0.661750 0.014751 Al\n0.879240 0.362280 0.879240 Al\n0.879240 0.879240 0.362280 Al\n0.362280 0.879240 0.879240 Al\n0.338250 0.985249 0.338250 Al\n0.000000 0.000000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n0.000000 0.500000 0.000000 Os\n0.500000 0.000000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.000000 0.500000 0.500000 Os\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Os"
],
"chemical_system": "Al-Os-Sc",
"density": 7.057457470117262,
"density_atomic": 0.0606246286415139,
"volume": 478.35344561833216,
"volume_molar": 9.933488905326215,
"formula_full": "Sc6 Al16 Os7",
"formula_reduced": "Sc6Al16Os7",
"formula_anonymous": "A6B7C16",
"energy_above_hull": 3.719926941379311,
"spacegroup": 225
},
{
"id": "jvasp-112237",
"created_at": "2022-09-04T14:38:47.253003Z",
"updated_at": "2022-09-04T14:38:47.253028Z",
"structure_string": "H16 C28 O8\n1.0\n5.955765 0.000000 -0.778157\n0.000000 5.297256 0.000000\n0.403311 0.000000 15.108682\nH C O\n16 28 8\ndirect\n0.462739 0.166035 0.765554 H\n0.479970 0.798261 0.436440 H\n0.520031 0.298260 0.063560 H\n0.479970 0.701741 0.936440 H\n0.165538 0.008320 0.248734 H\n0.834462 0.991681 0.751265 H\n0.834462 0.508320 0.251265 H\n0.165538 0.491681 0.748734 H\n0.520031 0.201740 0.563560 H\n0.130896 0.003354 0.645892 H\n0.130896 0.496647 0.145892 H\n0.869105 0.503354 0.854108 H\n0.462739 0.333965 0.265554 H\n0.537261 0.666036 0.734446 H\n0.537261 0.833966 0.234446 H\n0.869105 -0.003354 0.354108 H\n0.001242 0.181302 0.927981 C\n0.998758 0.818698 0.072019 C\n0.998758 0.681303 0.572019 C\n0.001242 0.318698 0.427981 C\n0.169023 0.992843 0.938342 C\n0.830978 0.007157 0.061657 C\n0.826454 0.191211 0.989764 C\n0.169023 0.507158 0.438343 C\n0.173547 0.808790 0.010235 C\n0.173547 0.691211 0.510235 C\n0.826454 0.308790 0.489764 C\n-0.000248 0.139839 0.360303 C\n0.830977 0.492843 0.561657 C\n0.000248 0.860162 0.639696 C\n0.833320 0.646710 0.197870 C\n-0.000248 0.360162 0.860303 C\n0.337022 0.989643 0.878914 C\n0.662979 0.010358 0.121086 C\n0.000248 0.639839 0.139696 C\n0.337022 0.510359 0.378914 C\n0.333780 0.171339 0.811109 C\n0.666220 0.828662 0.188890 C\n0.662979 0.489642 0.621086 C\n0.333780 0.328661 0.311110 C\n0.166681 0.353291 0.802129 C\n0.833319 0.853292 0.697870 C\n0.166681 0.146709 0.302129 C\n0.666220 0.671340 0.688890 C\n0.496385 0.317756 0.614797 O\n0.676108 0.356730 0.980382 O\n0.323893 0.643271 0.019618 O\n0.323893 0.856731 0.519618 O\n0.676108 0.143270 0.480382 O\n0.503616 0.817756 0.885203 O\n0.496385 0.182245 0.114797 O\n0.503616 0.682245 0.385203 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.66780271621429,
"density_atomic": 0.10871167336231675,
"volume": 478.32949665573824,
"volume_molar": 5.539552997155394,
"formula_full": "H16 C28 O8",
"formula_reduced": "H4C7O2",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 5.398942076923077,
"spacegroup": 14
},
{
"id": "jvasp-112213",
"created_at": "2022-09-04T14:38:46.752969Z",
"updated_at": "2022-09-04T14:38:46.752996Z",
"structure_string": "H22 C30\n1.0\n5.671972 -0.083043 -0.036443\n-0.736786 7.193366 -0.728764\n0.059091 -0.066827 11.747460\nH C\n22 30\ndirect\n0.713888 0.753312 0.402885 H\n0.325165 0.009341 0.775926 H\n0.674834 0.990660 0.224075 H\n0.343280 0.129678 0.981990 H\n0.656719 0.870322 0.018011 H\n0.980196 0.695162 0.933413 H\n0.679846 0.352523 0.945331 H\n0.320153 0.647477 0.054669 H\n0.659286 0.229740 0.739780 H\n0.340712 0.770260 0.260221 H\n0.371264 0.771105 0.490422 H\n0.019803 0.304838 0.066587 H\n0.066248 0.579399 0.589146 H\n0.933751 0.420602 0.410854 H\n0.146922 0.492956 0.783735 H\n0.853077 0.507045 0.216266 H\n0.541469 0.596968 0.876688 H\n0.458530 0.403033 0.123312 H\n0.849849 0.785092 0.777166 H\n0.150149 0.214909 0.222834 H\n0.286111 0.246688 0.597115 H\n0.628735 0.228896 0.509579 H\n0.588339 0.267944 0.425311 C\n0.411659 0.732057 0.574690 C\n0.008691 0.888719 0.255925 C\n0.991308 0.111282 0.744075 C\n0.191199 0.793142 0.207102 C\n0.808799 0.206859 0.792899 C\n0.804783 0.845207 0.071270 C\n0.821015 0.276744 0.908298 C\n0.986189 0.748919 0.023546 C\n0.013810 0.251082 0.976455 C\n0.195216 0.154793 0.928731 C\n0.238262 0.624568 0.630625 C\n0.178984 0.723257 0.091703 C\n0.761736 0.375433 0.369375 C\n0.988932 0.046049 0.619600 C\n0.717554 0.423146 0.259927 C\n0.503495 0.635794 0.792100 C\n0.496504 0.364207 0.207901 C\n0.677393 0.742852 0.736260 C\n0.322606 0.257148 0.263741 C\n0.634246 0.795042 0.626794 C\n0.365753 0.204958 0.373207 C\n0.163349 0.134819 0.553710 C\n0.836650 0.865182 0.446290 C\n0.815174 0.913670 0.186970 C\n0.011066 0.953952 0.380401 C\n0.819585 0.905841 0.565268 C\n0.180414 0.094160 0.434732 C\n0.282444 0.576854 0.740074 C\n0.184824 0.086330 0.813030 C\n",
"nsites": 52,
"nelements": 2,
"elements": [
"H",
"C"
],
"chemical_system": "C-H",
"density": 1.327859849899747,
"density_atomic": 0.10871261716666544,
"volume": 478.3253439688578,
"volume_molar": 5.539504904722843,
"formula_full": "H22 C30",
"formula_reduced": "H11C15",
"formula_anonymous": "A11B15",
"energy_above_hull": 5.847694999999999,
"spacegroup": 2
},
{
"id": "jvasp-30721",
"created_at": "2022-09-04T14:38:14.116863Z",
"updated_at": "2022-09-04T14:38:14.116878Z",
"structure_string": "Mg4 Sn8 O16\n1.0\n6.970145 -0.000105 -0.000001\n-0.000094 6.141812 -0.000002\n0.000028 0.000029 11.169373\nMg Sn O\n4 8 16\ndirect\n0.935038 0.249996 0.749999 Mg\n0.064962 0.750002 0.249998 Mg\n0.234505 0.250007 0.249994 Mg\n0.765495 0.749991 0.749995 Mg\n0.999889 0.499999 0.000014 Sn\n0.000109 -0.000001 0.500014 Sn\n0.000109 0.500001 0.500015 Sn\n0.999890 0.000001 0.000014 Sn\n0.597980 0.249987 0.549749 Sn\n0.402022 0.750010 0.049746 Sn\n0.402212 0.750010 0.450191 Sn\n0.597788 0.249988 0.950193 Sn\n0.782041 0.495276 0.632291 O\n0.217962 0.995289 0.132290 O\n0.218126 0.504712 0.367707 O\n0.217961 0.504724 0.132290 O\n0.218127 0.995300 0.367707 O\n0.781873 0.004700 0.867708 O\n0.834863 0.249993 0.079020 O\n0.885457 0.749996 0.102477 O\n0.164886 0.750006 0.920975 O\n0.165140 0.750005 0.579018 O\n0.114375 0.250005 0.897569 O\n0.114543 0.250004 0.602476 O\n0.782040 0.004708 0.632291 O\n0.885626 0.749994 0.397571 O\n0.835113 0.249993 0.420978 O\n0.781872 0.495285 0.867709 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"O"
],
"chemical_system": "Mg-O-Sn",
"density": 4.524700690258959,
"density_atomic": 0.0585586297177953,
"volume": 478.15326511117314,
"volume_molar": 10.283950954832434,
"formula_full": "Mg4 Sn8 O16",
"formula_reduced": "Mg(SnO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3062452071428567,
"spacegroup": 59
},
{
"id": "jvasp-56280",
"created_at": "2022-09-04T14:37:48.830086Z",
"updated_at": "2022-09-04T14:37:48.830114Z",
"structure_string": "Pr4 I8\n1.0\n7.601239 0.000000 4.388577\n2.533746 7.166517 4.388577\n-0.000000 0.000000 8.777155\nPr I\n4 8\ndirect\n0.363129 0.363129 0.363129 Pr\n0.363129 0.910613 0.363129 Pr\n0.363129 0.363129 0.910612 Pr\n0.910613 0.363129 0.363129 Pr\n0.627394 0.627394 0.627393 I\n0.110694 0.667920 0.110694 I\n0.627394 0.117819 0.627393 I\n0.117820 0.627394 0.627393 I\n0.667920 0.110694 0.110694 I\n0.110694 0.110694 0.110694 I\n0.627394 0.627394 0.117819 I\n0.110694 0.110694 0.667919 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pr",
"I"
],
"chemical_system": "I-Pr",
"density": 5.483377906209691,
"density_atomic": 0.025097759587110656,
"volume": 478.1303270656392,
"volume_molar": 23.994734426784312,
"formula_full": "Pr4 I8",
"formula_reduced": "PrI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0009088722222223,
"spacegroup": 216
},
{
"id": "jvasp-10193",
"created_at": "2022-09-04T14:37:52.673439Z",
"updated_at": "2022-09-04T14:37:52.673457Z",
"structure_string": "Na8 Sb8\n1.0\n0.000000 6.778418 -0.023924\n6.357386 0.000000 0.000000\n0.000000 -5.720148 -11.071818\nNa Sb\n8 8\ndirect\n0.232318 0.164014 0.541947 Na\n0.767682 0.664014 0.958053 Na\n0.767682 0.835987 0.458053 Na\n0.232318 0.335986 0.041947 Na\n0.230840 0.903442 0.825750 Na\n0.769160 0.403441 0.674250 Na\n0.769160 0.096559 0.174250 Na\n0.230840 0.596559 0.325750 Na\n0.288306 0.663081 0.601535 Sb\n0.711694 0.163081 0.898465 Sb\n0.711694 0.336920 0.398465 Sb\n0.288306 0.836920 0.101535 Sb\n0.303482 0.406079 0.798045 Sb\n0.696518 0.906079 0.701955 Sb\n0.696518 0.593922 0.201954 Sb\n0.303482 0.093921 0.298045 Sb\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Na",
"Sb"
],
"chemical_system": "Na-Sb",
"density": 4.022906191914923,
"density_atomic": 0.03347363865360822,
"volume": 477.98807191447384,
"volume_molar": 17.990696566687276,
"formula_full": "Na8 Sb8",
"formula_reduced": "NaSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.2811270333333335,
"spacegroup": 14
}
]
}