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=4473",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=4471",
"results": [
{
"id": "jvasp-31312",
"created_at": "2022-09-04T14:38:33.998785Z",
"updated_at": "2022-09-04T14:38:33.998806Z",
"structure_string": "Rb2 Li14 Pb3 O14\n1.0\n6.574561 0.000000 -3.166436\n-1.825541 6.808078 -3.790420\n0.018112 0.003405 8.446299\nRb Li Pb O\n2 14 3 14\ndirect\n0.231743 0.500000 -0.000000 Rb\n0.768257 0.500000 -0.000000 Rb\n0.138621 0.709924 0.731967 Li\n0.861379 0.977959 0.268034 Li\n0.593345 0.022042 0.731966 Li\n0.500000 0.841469 -0.000000 Li\n0.500000 0.158531 -0.000000 Li\n0.768536 0.413907 0.537072 Li\n0.231464 0.586094 0.462928 Li\n0.231464 0.876836 0.462928 Li\n0.768536 0.123165 0.537072 Li\n0.593345 0.709924 0.731966 Li\n0.861379 0.290077 0.268034 Li\n0.406655 0.977959 0.268034 Li\n0.138621 0.022042 0.731966 Li\n0.406655 0.290077 0.268034 Li\n0.727382 0.727383 0.454764 Pb\n0.000000 0.000000 0.000000 Pb\n0.272618 0.272618 0.545236 Pb\n0.044854 0.751375 0.502749 O\n0.542104 0.248626 0.497251 O\n0.955145 0.248626 0.497251 O\n0.457896 0.751375 0.502749 O\n0.702886 -0.000000 -0.000000 O\n0.297114 -0.000000 -0.000000 O\n0.873081 0.682779 0.746163 O\n0.126919 0.317222 0.253837 O\n0.126919 0.936615 0.253837 O\n0.873081 0.063386 0.746163 O\n0.627899 0.408358 0.255797 O\n0.372101 0.591642 0.744203 O\n0.372101 0.152561 0.744203 O\n0.627899 0.847440 0.255797 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Pb",
"O"
],
"chemical_system": "Li-O-Pb-Rb",
"density": 4.885306437502458,
"density_atomic": 0.08717419897489999,
"volume": 378.5523743040262,
"volume_molar": 6.9081687366395546,
"formula_full": "Rb2 Li14 Pb3 O14",
"formula_reduced": "Rb2Li14Pb3O14",
"formula_anonymous": "A2B3C14D14",
"energy_above_hull": 1.6014991351515149,
"spacegroup": 71
},
{
"id": "jvasp-22864",
"created_at": "2022-09-04T14:37:34.872068Z",
"updated_at": "2022-09-04T14:37:34.872088Z",
"structure_string": "K2 Li14 Zr3 O14\n1.0\n6.518632 0.000000 -3.218633\n-1.825616 6.610184 -3.697383\n0.005120 0.008388 8.220713\nK Li Zr O\n2 14 3 14\ndirect\n0.764093 0.500000 0.000000 K\n0.235906 0.500000 -0.000000 K\n0.408002 0.976126 0.270507 Li\n0.862505 0.294381 0.270507 Li\n0.591997 0.705618 0.729493 Li\n0.770775 0.129173 0.541551 Li\n0.229224 0.870826 0.458449 Li\n0.137494 0.705618 0.729493 Li\n0.500000 0.154272 0.000000 Li\n0.499999 0.845728 -0.000000 Li\n0.137495 0.023874 0.729493 Li\n0.408002 0.294381 0.270507 Li\n0.591997 0.023874 0.729493 Li\n0.862504 0.976126 0.270507 Li\n0.770775 0.412378 0.541551 Li\n0.229224 0.587622 0.458449 Li\n0.000000 0.000000 0.000000 Zr\n0.727528 0.727528 0.455057 Zr\n0.272471 0.272471 0.544943 Zr\n0.371492 0.161866 0.742984 O\n0.032430 0.745655 0.491310 O\n0.541120 0.254344 0.508690 O\n0.967569 0.254344 0.508690 O\n0.458879 0.745655 0.491310 O\n0.711530 -0.000000 0.000000 O\n0.288470 -0.000000 0.000000 O\n0.872229 0.691022 0.744461 O\n0.127770 0.308978 0.255539 O\n0.127769 0.946562 0.255539 O\n0.628507 0.418881 0.257016 O\n0.872230 0.053438 0.744461 O\n0.371492 0.581118 0.742984 O\n0.628507 0.838134 0.257016 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"K",
"Li",
"Zr",
"O"
],
"chemical_system": "K-Li-O-Zr",
"density": 3.1518468590233786,
"density_atomic": 0.09306637904931835,
"volume": 354.5856230477434,
"volume_molar": 6.470801616563064,
"formula_full": "K2 Li14 Zr3 O14",
"formula_reduced": "K2Li14Zr3O14",
"formula_anonymous": "A2B3C14D14",
"energy_above_hull": 2.0571617727272726,
"spacegroup": 71
},
{
"id": "jvasp-12928",
"created_at": "2022-09-04T14:37:08.548550Z",
"updated_at": "2022-09-04T14:37:08.548571Z",
"structure_string": "Hf2 Ag3 F14\n1.0\n5.748653 -0.021144 0.112562\n1.782455 5.465374 0.112562\n0.137715 0.099554 9.197347\nHf Ag F\n2 3 14\ndirect\n0.590356 0.590355 0.782958 Hf\n0.409644 0.409644 0.217042 Hf\n0.813553 0.813553 0.394770 Ag\n0.186447 0.186447 0.605230 Ag\n0.000000 0.000000 0.000000 Ag\n0.510605 0.157215 0.390082 F\n0.157215 0.510604 0.390082 F\n0.489395 0.842785 0.609918 F\n0.221782 0.221782 0.131085 F\n0.860295 0.269891 0.838400 F\n0.385370 0.385370 0.714493 F\n-0.000000 -0.000000 0.500000 F\n0.500000 0.500000 -0.000000 F\n0.842785 0.489395 0.609918 F\n0.269892 0.860295 0.838400 F\n0.139705 0.730108 0.161599 F\n0.730108 0.139705 0.161599 F\n0.614630 0.614630 0.285507 F\n0.778218 0.778218 0.868915 F\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Hf",
"Ag",
"F"
],
"chemical_system": "Ag-F-Hf",
"density": 5.435299813155711,
"density_atomic": 0.06570203639922333,
"volume": 289.1843395013035,
"volume_molar": 9.165835779286725,
"formula_full": "Hf2 Ag3 F14",
"formula_reduced": "Hf2Ag3F14",
"formula_anonymous": "A2B3C14",
"energy_above_hull": 0.3975885123684219,
"spacegroup": 12
},
{
"id": "jvasp-61446",
"created_at": "2022-09-04T14:35:55.137960Z",
"updated_at": "2022-09-04T14:35:55.137990Z",
"structure_string": "Ho4 Al6 Co28\n1.0\n4.163834 -7.211954 0.000000\n4.163818 7.211945 0.000000\n-0.000000 -0.000000 8.133905\nHo Al Co\n4 6 28\ndirect\n0.666660 0.333330 0.250000 Ho\n-0.000004 -0.000003 0.750000 Ho\n0.000004 0.000003 0.250000 Ho\n0.333339 0.666670 0.750000 Ho\n-0.000000 0.500000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.500000 -0.000000 0.000000 Al\n-0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 -0.000000 0.500000 Al\n0.333333 0.666667 0.109126 Co\n0.675138 0.837569 0.517215 Co\n0.162431 0.837569 0.517213 Co\n0.162431 0.324863 0.517213 Co\n0.324862 0.162431 0.017215 Co\n0.837568 0.162432 0.017213 Co\n0.837568 0.675137 0.017213 Co\n0.324862 0.162431 0.482785 Co\n0.837568 0.675137 0.482787 Co\n0.837568 0.162432 0.482787 Co\n0.675138 0.837569 0.982786 Co\n0.162431 0.324863 0.982788 Co\n0.044736 0.674533 0.250000 Co\n0.325463 0.370216 0.250000 Co\n0.629795 0.955258 0.250000 Co\n0.674536 0.629784 0.750000 Co\n0.370204 0.044743 0.750000 Co\n0.955263 0.629796 0.750000 Co\n0.674536 0.044753 0.750000 Co\n0.370204 0.325463 0.750000 Co\n0.044736 0.370204 0.250000 Co\n0.325463 0.955248 0.250000 Co\n0.629795 0.674537 0.250000 Co\n0.333333 0.666667 0.390875 Co\n0.666666 0.333333 0.890875 Co\n0.666666 0.333333 0.609126 Co\n0.162431 0.837569 0.982788 Co\n0.955263 0.325467 0.750000 Co\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Ho",
"Al",
"Co"
],
"chemical_system": "Al-Co-Ho",
"density": 8.40190055908762,
"density_atomic": 0.07778739996331749,
"volume": 488.51099301326195,
"volume_molar": 7.741794638771684,
"formula_full": "Ho4 Al6 Co28",
"formula_reduced": "Ho2Al3Co14",
"formula_anonymous": "A2B3C14",
"energy_above_hull": 3.562329585964913,
"spacegroup": 194
},
{
"id": "jvasp-120439",
"created_at": "2022-09-04T14:38:50.684378Z",
"updated_at": "2022-09-04T14:38:50.684401Z",
"structure_string": "Mn3 As2 O14\n1.0\n5.325164 -0.066825 -0.094027\n-2.217490 4.806934 -0.644301\n0.033881 -0.197193 9.490735\nMn As O\n3 2 14\ndirect\n0.386493 0.215452 0.515160 Mn\n0.996791 0.013940 0.997673 Mn\n0.496981 0.514448 -0.000887 Mn\n0.504393 0.101077 0.203042 As\n0.483825 0.922362 0.790733 As\n0.086431 0.217135 0.593748 O\n0.290261 0.367399 0.394876 O\n0.825781 0.643182 0.922773 O\n0.162029 0.378929 0.074508 O\n0.386919 0.897533 0.617092 O\n0.583722 0.081897 0.374829 O\n0.659159 0.429776 0.156444 O\n0.054384 0.863977 0.450315 O\n0.341461 0.126613 0.903667 O\n0.654638 0.904461 0.093944 O\n0.834969 0.097684 0.839957 O\n0.155616 0.917196 0.149392 O\n0.330061 0.600206 0.845204 O\n0.639968 0.438819 0.621824 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Mn",
"As",
"O"
],
"chemical_system": "As-Mn-O",
"density": 3.7139618718806786,
"density_atomic": 0.07889257636272635,
"volume": 240.83381321764963,
"volume_molar": 7.6333427524433395,
"formula_full": "Mn3 As2 O14",
"formula_reduced": "Mn3(AsO7)2",
"formula_anonymous": "A2B3C14",
"energy_above_hull": 3.338467064428312,
"spacegroup": 1
},
{
"id": "jvasp-95220",
"created_at": "2022-09-04T14:36:13.016492Z",
"updated_at": "2022-09-04T14:36:13.016517Z",
"structure_string": "Ca4 B6 H26 O26\n1.0\n7.927899 -0.017169 -0.651993\n-3.282973 8.601988 -3.487014\n-0.016008 -0.008041 7.249991\nCa B H O\n4 6 26 26\ndirect\n0.917712 0.965123 0.741138 Ca\n0.082288 0.034877 0.258863 Ca\n0.886873 0.329593 0.581310 Ca\n0.113127 0.670408 0.418691 Ca\n0.716675 0.973316 0.364653 B\n0.283326 0.026684 0.635348 B\n0.761802 0.711631 0.310609 B\n0.238199 0.288369 0.689392 B\n0.469138 0.711023 0.138720 B\n0.530862 0.288977 0.861281 B\n0.430065 0.142082 0.108383 H\n0.562171 0.003943 0.834786 H\n0.437830 0.996057 0.165215 H\n0.990337 0.690495 0.808898 H\n0.009664 0.309505 0.191103 H\n0.457087 0.623109 0.422140 H\n0.568190 0.351122 0.345444 H\n0.431810 0.648878 0.654557 H\n0.542913 0.376891 0.577861 H\n0.569935 0.857918 0.891618 H\n0.853092 0.369697 0.149794 H\n0.211163 0.226205 0.066022 H\n0.146909 0.630303 0.850207 H\n0.501455 0.431213 0.132051 H\n0.788837 0.773795 0.933979 H\n0.371397 0.913804 0.369954 H\n0.749894 0.056965 0.135690 H\n0.250107 0.943035 0.864311 H\n0.744130 0.593667 0.507187 H\n0.628603 0.086196 0.630047 H\n0.905121 0.705275 0.084881 H\n0.094880 0.294725 0.915120 H\n0.223742 0.533538 0.023244 H\n0.776258 0.466462 0.976757 H\n0.255870 0.406333 0.492814 H\n0.498546 0.568788 0.867949 H\n0.950897 0.389587 0.260385 O\n0.512117 0.680931 0.931070 O\n0.487883 0.319069 0.068931 O\n0.529658 0.880917 0.255789 O\n0.470342 0.119083 0.744212 O\n0.642032 0.954672 0.878014 O\n0.079508 0.181306 0.051642 O\n0.357968 0.045328 0.121987 O\n0.049103 0.610414 0.739616 O\n0.726844 0.355711 0.875206 O\n0.920492 0.818694 0.948359 O\n0.273156 0.644289 0.124795 O\n0.817223 0.691897 0.499151 O\n0.564894 0.639332 0.240471 O\n0.132367 0.357966 0.833366 O\n0.867633 0.642035 0.166635 O\n0.182778 0.308103 0.500850 O\n0.170915 0.121110 0.639660 O\n0.829085 0.878890 0.360341 O\n0.197551 0.910343 0.719683 O\n0.802449 0.089658 0.280318 O\n0.260389 0.926725 0.418658 O\n0.739611 0.073275 0.581343 O\n0.631984 0.394108 0.488066 O\n0.435106 0.360668 0.759530 O\n0.368016 0.605893 0.511935 O\n",
"nsites": 62,
"nelements": 4,
"elements": [
"Ca",
"B",
"H",
"O"
],
"chemical_system": "B-Ca-H-O",
"density": 2.2447611439949906,
"density_atomic": 0.12558761214504133,
"volume": 493.6792645471761,
"volume_molar": 4.795171002252214,
"formula_full": "Ca4 B6 H26 O26",
"formula_reduced": "Ca2B3(HO)13",
"formula_anonymous": "A2B3C13D13",
"energy_above_hull": 3.156782067419355,
"spacegroup": 2
},
{
"id": "jvasp-86464",
"created_at": "2022-09-04T14:35:47.128033Z",
"updated_at": "2022-09-04T14:35:47.128062Z",
"structure_string": "Nd3 Co13 B2\n1.0\n5.060549 -0.000000 -0.000000\n-2.530274 4.382563 -0.000000\n-0.000000 -0.000000 10.752488\nNd Co B\n3 13 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.676710 Nd\n0.000000 0.000000 0.323291 Nd\n0.500000 0.500000 0.864409 Co\n0.500000 0.000000 0.864409 Co\n0.000000 0.500000 0.135591 Co\n0.500000 0.500000 0.135591 Co\n0.500000 0.000000 0.135591 Co\n0.333333 0.666667 0.680881 Co\n0.666667 0.333333 0.680881 Co\n0.333333 0.666667 0.319119 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.864409 Co\n0.666667 0.333333 0.319119 Co\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Nd",
"Co",
"B"
],
"chemical_system": "B-Co-Nd",
"density": 8.498549929235274,
"density_atomic": 0.07548101583315192,
"volume": 238.47055847510526,
"volume_molar": 7.978351501404971,
"formula_full": "Nd3 Co13 B2",
"formula_reduced": "Nd3Co13B2",
"formula_anonymous": "A2B3C13",
"energy_above_hull": 3.941646187037037,
"spacegroup": 191
},
{
"id": "jvasp-86662",
"created_at": "2022-09-04T14:35:59.691762Z",
"updated_at": "2022-09-04T14:35:59.691795Z",
"structure_string": "Y3 Ni13 B2\n1.0\n4.946568 -0.000000 0.000000\n-2.473284 4.283852 0.000000\n0.000000 0.000000 10.933870\nY Ni B\n3 13 2\ndirect\n0.000000 0.000000 0.328793 Y\n0.000000 0.000000 0.671207 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.500000 Ni\n0.500000 0.000000 0.866334 Ni\n0.500000 0.500000 0.500000 Ni\n0.666668 0.333333 0.681035 Ni\n0.500000 0.500000 0.133666 Ni\n0.666668 0.333333 0.318965 Ni\n0.000000 0.500000 0.133666 Ni\n0.333333 0.666667 0.681035 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 0.866334 Ni\n0.500000 0.500000 0.866334 Ni\n0.333333 0.666667 0.318965 Ni\n0.500000 0.000000 0.133666 Ni\n0.333333 0.666667 0.000000 B\n0.666668 0.333333 0.000000 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"Ni",
"B"
],
"chemical_system": "B-Ni-Y",
"density": 7.535040963685305,
"density_atomic": 0.07768911196297967,
"volume": 231.69269856730168,
"volume_molar": 7.751589132425227,
"formula_full": "Y3 Ni13 B2",
"formula_reduced": "Y3Ni13B2",
"formula_anonymous": "A2B3C13",
"energy_above_hull": 2.1508929287037035,
"spacegroup": 191
},
{
"id": "jvasp-86063",
"created_at": "2022-09-04T14:35:48.498398Z",
"updated_at": "2022-09-04T14:35:48.498423Z",
"structure_string": "Y3 Ni13 B2\n1.0\n4.946568 0.000000 0.000000\n-2.473284 4.283852 0.000000\n-0.000000 0.000000 10.933870\nY Ni B\n3 13 2\ndirect\n0.000000 0.000000 0.328793 Y\n0.000000 0.000000 0.671207 Y\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.500000 Ni\n0.500000 0.000000 0.866334 Ni\n0.500000 0.500000 0.500000 Ni\n0.666667 0.333333 0.681035 Ni\n0.500000 0.500000 0.133666 Ni\n0.666667 0.333333 0.318965 Ni\n0.000000 0.500000 0.133666 Ni\n0.333333 0.666667 0.681035 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.500000 0.866334 Ni\n0.500000 0.500000 0.866334 Ni\n0.333333 0.666667 0.318965 Ni\n0.500000 0.000000 0.133666 Ni\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.000000 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"Ni",
"B"
],
"chemical_system": "B-Ni-Y",
"density": 7.535040963685305,
"density_atomic": 0.07768911196297967,
"volume": 231.69269856730168,
"volume_molar": 7.751589132425227,
"formula_full": "Y3 Ni13 B2",
"formula_reduced": "Y3Ni13B2",
"formula_anonymous": "A2B3C13",
"energy_above_hull": 2.1508929287037035,
"spacegroup": 191
},
{
"id": "jvasp-86390",
"created_at": "2022-09-04T14:35:48.029276Z",
"updated_at": "2022-09-04T14:35:48.029299Z",
"structure_string": "Nd3 Ni13 B2\n1.0\n5.035532 0.000000 0.000000\n-2.517766 4.360899 -0.000000\n0.000000 -0.000000 10.958662\nNd Ni B\n3 13 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.671121 Nd\n0.000000 0.000000 0.328879 Nd\n0.499999 0.500000 0.867219 Ni\n0.500000 -0.000000 0.867219 Ni\n-0.000000 0.500000 0.132780 Ni\n0.499999 0.500000 0.132780 Ni\n0.500000 -0.000000 0.132780 Ni\n0.333332 0.666667 0.681258 Ni\n0.666666 0.333333 0.681258 Ni\n0.333332 0.666667 0.318742 Ni\n-0.000000 0.500000 0.500000 Ni\n0.499999 0.500000 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n-0.000000 0.500000 0.867219 Ni\n0.666666 0.333333 0.318742 Ni\n0.333332 0.666667 0.000000 B\n0.666666 0.333333 0.000000 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Nd",
"Ni",
"B"
],
"chemical_system": "B-Nd-Ni",
"density": 8.400207020632564,
"density_atomic": 0.07479861983226398,
"volume": 240.64615149804942,
"volume_molar": 8.051138875964103,
"formula_full": "Nd3 Ni13 B2",
"formula_reduced": "Nd3Ni13B2",
"formula_anonymous": "A2B3C13",
"energy_above_hull": 1.8879311592592591,
"spacegroup": 191
},
{
"id": "jvasp-85891",
"created_at": "2022-09-04T14:35:47.920852Z",
"updated_at": "2022-09-04T14:35:47.920896Z",
"structure_string": "Nd3 Ni13 B2\n1.0\n5.035532 0.000000 0.000000\n-2.517766 4.360899 -0.000000\n-0.000000 -0.000000 10.958662\nNd Ni B\n3 13 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.000000 0.671121 Nd\n0.000000 0.000000 0.328879 Nd\n0.499999 0.500000 0.867219 Ni\n0.500000 -0.000000 0.867219 Ni\n-0.000000 0.500000 0.132780 Ni\n0.499999 0.500000 0.132780 Ni\n0.500000 -0.000000 0.132780 Ni\n0.333332 0.666667 0.681258 Ni\n0.666666 0.333333 0.681258 Ni\n0.333332 0.666667 0.318742 Ni\n-0.000000 0.500000 0.500000 Ni\n0.499999 0.500000 0.500000 Ni\n0.500000 -0.000000 0.500000 Ni\n-0.000000 0.500000 0.867219 Ni\n0.666666 0.333333 0.318742 Ni\n0.333332 0.666667 0.000000 B\n0.666666 0.333333 0.000000 B\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Nd",
"Ni",
"B"
],
"chemical_system": "B-Nd-Ni",
"density": 8.400207020632564,
"density_atomic": 0.07479861983226398,
"volume": 240.64615149804942,
"volume_molar": 8.051138875964103,
"formula_full": "Nd3 Ni13 B2",
"formula_reduced": "Nd3Ni13B2",
"formula_anonymous": "A2B3C13",
"energy_above_hull": 1.8879311592592591,
"spacegroup": 191
},
{
"id": "jvasp-97812",
"created_at": "2022-09-04T14:35:51.952653Z",
"updated_at": "2022-09-04T14:35:51.952674Z",
"structure_string": "Sb8 S12 O48\n1.0\n4.748635 0.000000 0.000000\n0.000000 12.822982 -2.465643\n0.000000 0.035462 14.465743\nSb S O\n8 12 48\ndirect\n0.412412 0.924813 0.283625 Sb\n0.310036 0.826678 0.933100 Sb\n0.810036 0.673322 0.566900 Sb\n0.689965 0.173322 0.066900 Sb\n0.912412 0.575187 0.216375 Sb\n0.087589 0.424813 0.783625 Sb\n0.587589 0.075187 0.716375 Sb\n0.189965 0.326678 0.433100 Sb\n0.863461 0.942164 0.108713 S\n0.363461 0.557836 0.391288 S\n0.636540 0.442164 0.608712 S\n0.825149 0.651246 0.821957 S\n0.325149 0.848754 0.678043 S\n0.136540 0.057836 0.891287 S\n0.674852 0.151246 0.321957 S\n0.558372 0.335903 0.895318 S\n0.058371 0.164097 0.604682 S\n0.441629 0.664097 0.104682 S\n0.941630 0.835903 0.395318 S\n0.174852 0.348754 0.178043 S\n0.400142 0.436614 0.900016 O\n0.547227 0.136399 0.227869 O\n0.047226 0.363600 0.272131 O\n0.452774 0.863600 0.772131 O\n0.952775 0.636399 0.727869 O\n0.569596 0.063311 0.369528 O\n0.930405 0.563311 0.869528 O\n0.430405 0.936689 0.630472 O\n0.570507 0.251159 0.384164 O\n0.070507 0.248841 0.115836 O\n0.429494 0.748841 0.615836 O\n0.900143 0.063386 0.599983 O\n0.069596 0.436689 0.130472 O\n0.018638 0.842277 0.677512 O\n0.863769 0.935729 0.211274 O\n0.543346 0.303097 0.986839 O\n0.363769 0.564271 0.288726 O\n0.136232 0.064270 0.788726 O\n0.636232 0.435729 0.711274 O\n0.044454 0.853971 0.060806 O\n0.544454 0.646029 0.439194 O\n0.955547 0.146029 0.939194 O\n0.455547 0.353971 0.560806 O\n0.572522 0.934695 0.073202 O\n0.072522 0.565305 0.426798 O\n0.427479 0.065305 0.926798 O\n0.927479 0.434695 0.573202 O\n0.990306 0.043851 0.096841 O\n0.490305 0.456149 0.403159 O\n0.009695 0.956149 0.903159 O\n0.099858 0.936614 0.400017 O\n0.509696 0.543851 0.596841 O\n0.518638 0.657723 0.822488 O\n0.481363 0.342277 0.177512 O\n0.981363 0.157723 0.322488 O\n0.057765 0.760123 0.316251 O\n0.557766 0.739877 0.183749 O\n0.942236 0.239877 0.683749 O\n0.442235 0.260123 0.816251 O\n0.629788 0.854683 0.379574 O\n0.129788 0.645316 0.120426 O\n0.370213 0.145316 0.620426 O\n0.870213 0.354683 0.879574 O\n0.956655 0.803097 0.486839 O\n0.456655 0.696903 0.013161 O\n0.043346 0.196903 0.513161 O\n0.929494 0.751159 0.884164 O\n0.599859 0.563386 0.099983 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Sb",
"S",
"O"
],
"chemical_system": "O-S-Sb",
"density": 4.007549425512362,
"density_atomic": 0.07716239159447301,
"volume": 881.2583253947602,
"volume_molar": 7.804502472719307,
"formula_full": "Sb8 S12 O48",
"formula_reduced": "Sb2(SO4)3",
"formula_anonymous": "A2B3C12",
"energy_above_hull": 2.7072061294117646,
"spacegroup": 14
}
]
}