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=4351",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nsites&page=4349",
"results": [
{
"id": "jvasp-119512",
"created_at": "2022-09-04T14:38:51.691731Z",
"updated_at": "2022-09-04T14:38:51.691751Z",
"structure_string": "Ca10 Rh4 N12\n1.0\n5.903544 -0.051268 -1.228674\n-3.647906 5.507141 0.000000\n-0.222819 -0.147594 12.008015\nCa Rh N\n10 4 12\ndirect\n-0.000000 0.394266 0.750000 Ca\n-0.000000 0.605735 0.250000 Ca\n0.118069 0.805898 0.000354 Ca\n0.881929 0.687828 0.499646 Ca\n0.881930 0.194102 -0.000354 Ca\n0.118069 0.312172 0.500355 Ca\n0.331327 0.049492 0.734588 Ca\n0.668672 0.718165 0.765413 Ca\n0.668672 0.950509 0.265413 Ca\n0.331326 0.281835 0.234587 Ca\n0.524895 0.692247 0.035984 Rh\n0.475103 0.167352 0.464017 Rh\n0.524895 0.832648 0.535984 Rh\n0.475103 0.307753 0.964017 Rh\n0.103544 -0.002293 0.374612 N\n0.265310 0.682471 0.628592 N\n0.734688 0.417160 0.871409 N\n0.734688 0.317530 0.371409 N\n0.265310 0.582840 0.128591 N\n0.574434 0.348442 0.607603 N\n0.425564 0.774007 0.892398 N\n0.425564 0.651558 0.392397 N\n0.574434 0.225994 0.107603 N\n0.896455 0.002293 0.625388 N\n0.103544 0.105838 0.874613 N\n0.896454 0.894162 0.125388 N\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ca",
"Rh",
"N"
],
"chemical_system": "Ca-N-Rh",
"density": 4.2181112569725645,
"density_atomic": 0.06736006207044623,
"volume": 385.98539254326676,
"volume_molar": 8.940224481536179,
"formula_full": "Ca10 Rh4 N12",
"formula_reduced": "Ca5(RhN3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 3.2127067384615384,
"spacegroup": 15
},
{
"id": "jvasp-116576",
"created_at": "2022-09-04T14:38:52.687600Z",
"updated_at": "2022-09-04T14:38:52.687633Z",
"structure_string": "K2 Zn4 P4 O16\n1.0\n4.987811 -0.213422 -1.033397\n-2.954170 8.080975 -0.185662\n-0.102669 1.034670 9.058944\nK Zn P O\n2 4 4 16\ndirect\n0.530902 0.821707 0.687977 K\n0.469097 0.178293 0.312023 K\n0.714435 0.863143 0.141072 Zn\n0.285564 0.136857 0.858928 Zn\n0.235911 0.527636 0.283689 Zn\n0.764088 0.472364 0.716310 Zn\n0.099191 0.755353 0.970503 P\n0.900809 0.244647 0.029497 P\n0.102513 0.306512 0.582788 P\n0.897486 0.693488 0.417212 P\n0.187285 0.230313 0.015549 O\n0.075181 0.129949 0.650947 O\n0.924818 0.870051 0.349053 O\n0.350979 0.441060 0.685241 O\n0.649020 0.558939 0.314758 O\n0.812714 0.769687 0.984450 O\n0.850423 0.687859 0.579817 O\n0.813375 0.330968 0.574663 O\n0.049889 0.597457 0.883701 O\n0.950111 0.402543 0.116298 O\n0.186624 0.669031 0.425337 O\n0.734033 0.094912 0.121258 O\n0.708316 0.249112 0.871944 O\n0.291683 0.750888 0.128055 O\n0.149576 0.312141 0.420182 O\n0.265966 0.905087 0.878741 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"K",
"Zn",
"P",
"O"
],
"chemical_system": "K-O-P-Zn",
"density": 3.2952730446164513,
"density_atomic": 0.0716891222420018,
"volume": 362.6770587625762,
"volume_molar": 8.400354993427023,
"formula_full": "K2 Zn4 P4 O16",
"formula_reduced": "KZn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 1.843905984615385,
"spacegroup": 2
},
{
"id": "jvasp-120560",
"created_at": "2022-09-04T14:38:51.211918Z",
"updated_at": "2022-09-04T14:38:51.211938Z",
"structure_string": "Ba10 Sn4 N12\n1.0\n6.634779 0.042261 -0.849663\n-4.016894 6.054356 0.000000\n-0.089552 -0.059415 14.638233\nBa Sn N\n10 4 12\ndirect\n0.096004 0.772775 0.991991 Ba\n0.903997 0.676772 0.508009 Ba\n0.903997 0.227225 0.008009 Ba\n0.096003 0.323228 0.491991 Ba\n0.315426 0.069282 0.713211 Ba\n0.684575 0.753857 0.786789 Ba\n0.684575 0.930718 0.286789 Ba\n0.315426 0.246143 0.213211 Ba\n0.000000 0.375269 0.750000 Ba\n0.000001 0.624731 0.250000 Ba\n0.558092 0.664795 0.074944 Sn\n0.441909 0.106703 0.425056 Sn\n0.558092 0.893297 0.574944 Sn\n0.441909 0.335204 0.925056 Sn\n0.392219 0.779308 0.432765 N\n0.902922 0.973946 0.624326 N\n0.097079 0.071025 0.875674 N\n0.097079 0.026053 0.375674 N\n0.902922 0.928975 0.124326 N\n0.288462 0.693719 0.653635 N\n0.711539 0.405257 0.846365 N\n0.711539 0.306281 0.346365 N\n0.288462 0.594742 0.153635 N\n0.607782 0.220692 0.567235 N\n0.392218 0.612909 0.932765 N\n0.607782 0.387090 0.067235 N\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ba",
"Sn",
"N"
],
"chemical_system": "Ba-N-Sn",
"density": 5.676155849636791,
"density_atomic": 0.04408055148782557,
"volume": 589.8292812235082,
"volume_molar": 13.66167290729843,
"formula_full": "Ba10 Sn4 N12",
"formula_reduced": "Ba5(SnN3)2",
"formula_anonymous": "A2B5C6",
"energy_above_hull": 2.8459925192307693,
"spacegroup": 15
},
{
"id": "jvasp-119171",
"created_at": "2022-09-04T14:38:51.749687Z",
"updated_at": "2022-09-04T14:38:51.749722Z",
"structure_string": "Li2 Al2 Si6 O16\n1.0\n6.650048 -0.058349 -2.434886\n-2.200021 6.158189 -3.187961\n-0.009337 -0.016322 7.545671\nLi Al Si O\n2 2 6 16\ndirect\n0.879843 0.754373 0.715801 Li\n0.120158 0.245627 0.284199 Li\n0.801919 0.147228 0.842069 Al\n0.198081 0.852772 0.157931 Al\n0.289310 0.574065 0.777793 Si\n0.239889 0.173684 0.816404 Si\n0.710690 0.425935 0.222206 Si\n0.366424 0.775292 0.533628 Si\n0.633576 0.224708 0.466371 Si\n0.760111 0.826317 0.183595 Si\n0.842480 0.282032 0.119501 O\n0.457879 0.318860 0.049580 O\n0.542121 0.681140 0.950419 O\n0.193878 0.319594 0.701160 O\n0.806122 0.680406 0.298840 O\n0.157520 0.717968 0.880499 O\n0.269721 0.960345 0.648199 O\n0.626274 0.871872 0.679051 O\n0.957428 0.900505 0.139996 O\n0.042572 0.099496 0.860004 O\n0.373726 0.128128 0.320949 O\n0.717545 0.298383 0.723175 O\n0.265787 0.561879 0.546096 O\n0.734213 0.438122 0.453904 O\n0.730279 0.039655 0.351801 O\n0.282455 0.701618 0.276825 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Li-O-Si",
"density": 2.659017655386426,
"density_atomic": 0.08456153783946246,
"volume": 307.46839123668985,
"volume_molar": 7.12160742799268,
"formula_full": "Li2 Al2 Si6 O16",
"formula_reduced": "LiAlSi3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 2.708591276923077,
"spacegroup": 2
},
{
"id": "jvasp-27515",
"created_at": "2022-09-04T14:36:37.977007Z",
"updated_at": "2022-09-04T14:36:37.977034Z",
"structure_string": "Na2 Be8 Sb2 O14\n1.0\n2.742216 -4.749657 0.000000\n2.742216 4.749657 0.000000\n0.000000 0.000000 8.939261\nNa Be Sb O\n2 8 2 14\ndirect\n0.666668 0.333334 0.874060 Na\n0.333334 0.666668 0.374060 Na\n0.331146 0.165573 0.186652 Be\n0.000000 0.000000 0.439211 Be\n0.000000 0.000000 0.939211 Be\n0.834429 0.668855 0.186652 Be\n0.668855 0.834429 0.686652 Be\n0.165573 0.331146 0.686652 Be\n0.834429 0.165573 0.186652 Be\n0.165573 0.834429 0.686652 Be\n0.666668 0.333334 0.499553 Sb\n0.333334 0.666668 0.999553 Sb\n0.505018 0.010035 0.129130 O\n0.505018 0.494983 0.129130 O\n0.494984 0.989966 0.629130 O\n0.010035 0.505018 0.629130 O\n0.989966 0.494984 0.129130 O\n0.494983 0.505018 0.629130 O\n0.321465 0.160733 0.371080 O\n0.160733 0.321465 0.871080 O\n0.678536 0.839269 0.871080 O\n0.000000 0.000000 0.124586 O\n0.000000 0.000000 0.624586 O\n0.160733 0.839268 0.871080 O\n0.839268 0.160733 0.371080 O\n0.839269 0.678536 0.371080 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Na",
"Be",
"Sb",
"O"
],
"chemical_system": "Be-Na-O-Sb",
"density": 4.175862454172708,
"density_atomic": 0.11165491014153694,
"volume": 232.86033697077593,
"volume_molar": 5.393529717919403,
"formula_full": "Na2 Be8 Sb2 O14",
"formula_reduced": "NaBe4SbO7",
"formula_anonymous": "ABC4D7",
"energy_above_hull": 2.1778149230769235,
"spacegroup": 186
},
{
"id": "jvasp-98464",
"created_at": "2022-09-04T14:36:18.661450Z",
"updated_at": "2022-09-04T14:36:18.661482Z",
"structure_string": "Ta4 Pd6 Se16\n1.0\n3.596523 0.000000 0.000000\n0.000000 10.793212 0.000000\n0.000000 -0.000000 15.385684\nTa Pd Se\n4 6 16\ndirect\n0.500000 0.785500 0.882508 Ta\n0.500000 0.285500 0.617491 Ta\n0.500000 0.714500 0.382508 Ta\n0.500000 0.214500 0.117491 Ta\n0.000000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.000000 0.622251 0.783978 Pd\n0.000000 0.377749 0.216022 Pd\n0.000000 0.122251 0.716021 Pd\n0.000000 0.877749 0.283978 Pd\n0.000000 0.043921 0.156800 Se\n0.000000 0.956079 0.843200 Se\n0.000000 0.730884 0.507753 Se\n0.500000 0.954158 0.384082 Se\n0.000000 0.769115 0.007754 Se\n0.000000 0.456079 0.656800 Se\n0.000000 0.543921 0.343200 Se\n0.500000 0.752300 0.716486 Se\n0.500000 0.247700 0.283513 Se\n0.500000 0.252300 0.783513 Se\n0.500000 0.747700 0.216486 Se\n0.500000 0.545841 0.884082 Se\n0.500000 0.454158 0.115918 Se\n0.500000 0.045842 0.615918 Se\n0.000000 0.230884 -0.007754 Se\n0.000000 0.269115 0.492246 Se\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ta",
"Pd",
"Se"
],
"chemical_system": "Pd-Se-Ta",
"density": 7.300273534445024,
"density_atomic": 0.04353344037030225,
"volume": 597.2420231169403,
"volume_molar": 13.833367426913032,
"formula_full": "Ta4 Pd6 Se16",
"formula_reduced": "Ta2Pd3Se8",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.745681725641025,
"spacegroup": 55
},
{
"id": "jvasp-21248",
"created_at": "2022-09-04T14:36:38.111651Z",
"updated_at": "2022-09-04T14:36:38.111680Z",
"structure_string": "Rb4 Sb8 S14\n1.0\n0.000000 7.100730 -0.053892\n12.462921 0.000000 0.000000\n0.000000 -6.655600 -8.391035\nRb Sb S\n4 8 14\ndirect\n0.149867 0.437019 0.852868 Rb\n0.149867 0.062981 0.352868 Rb\n0.850133 0.562981 0.147132 Rb\n0.850132 0.937019 0.647131 Rb\n0.594519 0.363232 0.347982 Sb\n0.405481 0.863232 0.152017 Sb\n0.405481 0.636768 0.652017 Sb\n0.594518 0.136768 0.847982 Sb\n0.672312 0.654904 0.451353 Sb\n0.672311 0.845096 0.951353 Sb\n0.327688 0.345096 0.548646 Sb\n0.327688 0.154904 0.048646 Sb\n0.319763 0.699096 0.830334 S\n0.829653 0.728675 0.850150 S\n0.170346 0.228675 0.649849 S\n0.680237 0.300904 0.169665 S\n0.319763 0.800904 0.330334 S\n0.680236 0.199096 0.669665 S\n0.170346 0.271324 0.149850 S\n0.000000 0.000000 0.000000 S\n0.380102 0.962513 0.718183 S\n0.380103 0.537487 0.218184 S\n0.619897 0.037487 0.281816 S\n0.829654 0.771324 0.350150 S\n-0.000000 0.500000 0.500000 S\n0.619897 0.462513 0.781816 S\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Rb",
"Sb",
"S"
],
"chemical_system": "Rb-S-Sb",
"density": 3.92296727369026,
"density_atomic": 0.034803937516854566,
"volume": 747.0419112035509,
"volume_molar": 17.303044395720015,
"formula_full": "Rb4 Sb8 S14",
"formula_reduced": "Rb2Sb4S7",
"formula_anonymous": "A2B4C7",
"energy_above_hull": 1.636764953846154,
"spacegroup": 14
},
{
"id": "jvasp-96758",
"created_at": "2022-09-04T14:36:19.709580Z",
"updated_at": "2022-09-04T14:36:19.709609Z",
"structure_string": "Ni6 P4 O16\n1.0\n4.700323 0.000000 0.000000\n0.000000 5.811731 -0.137862\n0.000000 -0.041057 10.127187\nNi P O\n6 4 16\ndirect\n0.000000 0.500000 0.000000 Ni\n0.985146 0.244301 0.273260 Ni\n0.485146 0.755698 0.226741 Ni\n0.514852 0.244301 0.773260 Ni\n0.014854 0.755698 0.726740 Ni\n0.500000 0.500000 0.500000 Ni\n0.422215 0.248157 0.093974 P\n0.922216 0.751843 0.406026 P\n0.577785 0.751843 0.906026 P\n0.077785 0.248157 0.593975 P\n0.752125 0.264621 0.600087 O\n0.193291 0.254341 0.450465 O\n0.693291 0.745658 0.049535 O\n0.235419 0.466500 0.662435 O\n0.747873 0.264622 0.100087 O\n0.806709 0.745658 0.549535 O\n0.306709 0.254340 0.950465 O\n0.296844 0.047326 0.171889 O\n0.796844 0.952673 0.328111 O\n0.703154 0.952671 0.828111 O\n0.203154 0.047326 0.671890 O\n0.264582 0.466500 0.162435 O\n0.764582 0.533500 0.337565 O\n0.735419 0.533500 0.837565 O\n0.247873 0.735377 0.399914 O\n0.252125 0.735377 0.899913 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P",
"density": 4.394476133790752,
"density_atomic": 0.0939924735678089,
"volume": 276.6178930405831,
"volume_molar": 6.40704572548083,
"formula_full": "Ni6 P4 O16",
"formula_reduced": "Ni3(PO4)2",
"formula_anonymous": "A2B3C8",
"energy_above_hull": 2.5566858615384613,
"spacegroup": 14
},
{
"id": "jvasp-46406",
"created_at": "2022-09-04T14:38:03.024781Z",
"updated_at": "2022-09-04T14:38:03.024798Z",
"structure_string": "Li8 Mn2 B4 O12\n1.0\n3.291963 0.000000 0.000000\n0.000000 7.936631 -0.000000\n0.000000 0.000000 9.293771\nLi Mn B O\n8 2 4 12\ndirect\n0.499999 0.832066 0.944944 Li\n0.000000 0.994747 0.797470 Li\n0.499999 0.494747 0.702530 Li\n0.000000 0.332066 0.555056 Li\n0.000000 0.667934 0.444944 Li\n0.499999 0.505253 0.297470 Li\n0.000000 0.005253 0.202530 Li\n0.499999 0.167934 0.055056 Li\n0.000000 0.500000 0.000000 Mn\n0.499999 0.000000 0.500000 Mn\n0.499999 0.765224 0.202128 B\n0.000000 0.265224 0.297872 B\n0.499999 0.234776 0.797872 B\n0.000000 0.734776 0.702128 B\n0.000000 0.247035 0.149428 O\n0.499999 0.380987 0.884991 O\n0.000000 0.752965 0.850571 O\n0.499999 0.079932 0.862563 O\n0.000000 0.579932 0.637437 O\n0.499999 0.252965 0.649428 O\n0.000000 0.880987 0.615009 O\n0.000000 0.119013 0.384991 O\n0.499999 0.747034 0.350572 O\n0.000000 0.420068 0.362563 O\n0.499999 0.920068 0.137437 O\n0.499999 0.619013 0.115009 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 2.739815182224096,
"density_atomic": 0.10707553338488532,
"volume": 242.81924337040132,
"volume_molar": 5.624198703127899,
"formula_full": "Li8 Mn2 B4 O12",
"formula_reduced": "Li4Mn(BO3)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.6986041083112293,
"spacegroup": 58
},
{
"id": "jvasp-45178",
"created_at": "2022-09-04T14:37:59.212734Z",
"updated_at": "2022-09-04T14:37:59.212757Z",
"structure_string": "Li6 Fe2 Si2 B2 O14\n1.0\n0.000000 4.995538 0.064010\n6.151458 0.000000 0.000000\n0.000000 -0.744487 -8.241282\nLi Fe Si B O\n6 2 2 2 14\ndirect\n0.237427 0.750000 0.103837 Li\n0.747153 0.002406 0.247948 Li\n0.747153 0.497595 0.247948 Li\n0.252847 0.502406 0.752052 Li\n0.252847 0.997595 0.752052 Li\n0.762573 0.250000 0.896163 Li\n0.200747 0.250000 0.314480 Fe\n0.799253 0.750000 0.685520 Fe\n0.725072 0.250000 0.570985 Si\n0.274927 0.750000 0.429015 Si\n0.292113 0.250000 0.038067 B\n0.707887 0.750000 0.961933 B\n0.519672 0.750000 0.823580 O\n0.818937 0.051555 0.699150 O\n0.818937 0.448445 0.699150 O\n0.396214 0.250000 0.522610 O\n0.130754 0.750000 0.595910 O\n0.869246 0.250000 0.404089 O\n0.636263 0.750000 0.113766 O\n0.181063 0.551555 0.300850 O\n0.181063 0.948446 0.300850 O\n0.480328 0.250000 0.176420 O\n0.032405 0.250000 0.086751 O\n0.967595 0.750000 0.913248 O\n0.603786 0.750000 0.477390 O\n0.363737 0.250000 0.886234 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Fe",
"Si",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O-Si",
"density": 2.987607084927368,
"density_atomic": 0.10278298775924667,
"volume": 252.9601499900061,
"volume_molar": 5.859083191963575,
"formula_full": "Li6 Fe2 Si2 B2 O14",
"formula_reduced": "Li3FeSiBO7",
"formula_anonymous": "ABCD3E7",
"energy_above_hull": 2.6605285525641023,
"spacegroup": 11
},
{
"id": "jvasp-98094",
"created_at": "2022-09-04T14:37:40.793899Z",
"updated_at": "2022-09-04T14:37:40.793917Z",
"structure_string": "Mg16 B2 Pt8\n1.0\n7.513573 0.000000 4.337963\n2.504524 7.083865 4.337963\n0.000000 0.000000 8.675927\nMg B Pt\n16 2 8\ndirect\n0.675128 0.675128 0.074872 Mg\n0.074872 0.074872 0.675128 Mg\n-0.000000 0.500000 0.500000 Mg\n0.925128 0.324872 0.324872 Mg\n0.324871 0.925128 0.324872 Mg\n0.074872 0.675128 0.675129 Mg\n0.675128 0.074872 0.675128 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.324872 0.324872 0.925129 Mg\n0.324871 0.925128 0.925129 Mg\n0.925128 0.324872 0.925128 Mg\n0.074872 0.675128 0.074872 Mg\n0.500000 0.500000 0.500000 Mg\n0.925127 0.925128 0.324872 Mg\n0.675128 0.074872 0.074872 Mg\n0.625000 0.625000 0.625000 B\n0.375000 0.375000 0.375000 B\n0.274766 0.675702 0.274766 Pt\n0.725233 0.725234 0.725234 Pt\n0.725234 0.324298 0.725234 Pt\n0.324298 0.725234 0.725234 Pt\n0.675702 0.274766 0.274766 Pt\n0.274766 0.274766 0.274766 Pt\n0.274766 0.274766 0.675702 Pt\n0.725233 0.725234 0.324298 Pt\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Mg",
"B",
"Pt"
],
"chemical_system": "B-Mg-Pt",
"density": 7.088288478102283,
"density_atomic": 0.056304184481512684,
"volume": 461.77740143873365,
"volume_molar": 10.695725043273388,
"formula_full": "Mg16 B2 Pt8",
"formula_reduced": "Mg8BPt4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 0.7158054294871796,
"spacegroup": 227
},
{
"id": "jvasp-19026",
"created_at": "2022-09-04T14:37:39.474606Z",
"updated_at": "2022-09-04T14:37:39.474636Z",
"structure_string": "Na16 Sn2 Sb8\n1.0\n9.076012 -0.000000 5.240038\n3.025338 8.556946 5.240038\n0.000000 0.000000 10.480076\nNa Sn Sb\n16 2 8\ndirect\n0.000000 0.000000 0.000000 Na\n0.146805 0.603195 0.603195 Na\n0.396805 0.853195 0.853195 Na\n0.603195 0.146805 0.603195 Na\n0.146805 0.146805 0.603195 Na\n0.146805 0.603195 0.146805 Na\n0.396805 0.853195 0.396805 Na\n0.853195 0.396805 0.853195 Na\n0.603195 0.603195 0.146805 Na\n0.396805 0.396805 0.853195 Na\n0.853195 0.853195 0.396806 Na\n0.603195 0.146805 0.146806 Na\n0.853195 0.396805 0.396806 Na\n0.000000 0.500000 -0.000000 Na\n0.500000 0.000000 0.000000 Na\n-0.000000 -0.000000 0.500000 Na\n0.875000 0.875000 0.875001 Sn\n0.125000 0.125000 0.125000 Sn\n0.762574 0.762574 0.212280 Sb\n0.212280 0.762574 0.762574 Sb\n0.762574 0.212280 0.762574 Sb\n0.787720 0.237426 0.237426 Sb\n0.237426 0.787721 0.237426 Sb\n0.237426 0.237426 0.787721 Sb\n0.762574 0.762574 0.762574 Sb\n0.237426 0.237426 0.237426 Sb\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Na",
"Sn",
"Sb"
],
"chemical_system": "Na-Sb-Sn",
"density": 3.222147612892341,
"density_atomic": 0.031944424110190335,
"volume": 813.913561575397,
"volume_molar": 18.851930901076802,
"formula_full": "Na16 Sn2 Sb8",
"formula_reduced": "Na8SnSb4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 0.0802483153846154,
"spacegroup": 227
}
]
}