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=173",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=171",
"results": [
{
"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-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-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-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-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-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-31311",
"created_at": "2022-09-04T14:38:33.239248Z",
"updated_at": "2022-09-04T14:38:33.239273Z",
"structure_string": "K2 Li14 Pb3 O14\n1.0\n6.547872 -0.000000 -3.156526\n-1.829061 6.785737 -3.794189\n0.024837 0.015224 8.421211\nK Li Pb O\n2 14 3 14\ndirect\n0.242375 0.500000 -0.000000 K\n0.757625 0.500000 -0.000000 K\n0.139370 0.709549 0.733094 Li\n0.860630 0.976456 0.266906 Li\n0.593724 0.023544 0.733093 Li\n0.500000 0.841347 -0.000000 Li\n0.500000 0.158653 -0.000000 Li\n0.769607 0.414319 0.539213 Li\n0.230393 0.585680 0.460787 Li\n0.230393 0.875106 0.460787 Li\n0.769607 0.124894 0.539213 Li\n0.593724 0.709549 0.733093 Li\n0.860630 0.290451 0.266906 Li\n0.406276 0.976456 0.266906 Li\n0.139370 0.023544 0.733094 Li\n0.406276 0.290451 0.266906 Li\n0.727144 0.727144 0.454288 Pb\n0.000000 0.000000 0.000000 Pb\n0.272857 0.272856 0.545712 Pb\n0.045367 0.751521 0.503042 O\n0.542325 0.248479 0.496958 O\n0.954633 0.248479 0.496957 O\n0.457675 0.751521 0.503042 O\n0.702404 0.000000 -0.000000 O\n0.297596 0.000000 -0.000000 O\n0.873357 0.682234 0.746713 O\n0.126643 0.317766 0.253286 O\n0.126644 0.935521 0.253287 O\n0.873357 0.064480 0.746713 O\n0.626042 0.408908 0.252084 O\n0.373959 0.591092 0.747915 O\n0.373958 0.156823 0.747915 O\n0.626042 0.843177 0.252084 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"K",
"Li",
"Pb",
"O"
],
"chemical_system": "K-Li-O-Pb",
"density": 4.51887222952464,
"density_atomic": 0.08796000415273676,
"volume": 375.17051434760816,
"volume_molar": 6.84645347394817,
"formula_full": "K2 Li14 Pb3 O14",
"formula_reduced": "K2Li14Pb3O14",
"formula_anonymous": "A2B3C14D14",
"energy_above_hull": 1.6022644684848486,
"spacegroup": 71
},
{
"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-97669",
"created_at": "2022-09-04T14:36:07.643766Z",
"updated_at": "2022-09-04T14:36:07.643782Z",
"structure_string": "Fe3 P2 H16 O16\n1.0\n-4.938370 6.392389 3.545134\n4.915106 -6.392389 1.239739\n4.938370 6.392389 -3.545134\nFe P H O\n3 2 16 16\ndirect\n0.000000 0.000000 0.000000 Fe\n0.402552 -0.000000 0.402552 Fe\n0.597448 -0.000000 0.597448 Fe\n0.939260 0.246798 0.307539 P\n0.060741 0.753202 0.692462 P\n0.461172 0.211566 0.190488 H\n0.978922 0.788434 0.249607 H\n0.021078 0.211567 0.750394 H\n0.654515 0.227364 0.175570 H\n0.948205 0.772635 0.427151 H\n0.345485 0.772636 0.824430 H\n0.051795 0.227365 0.572850 H\n0.538828 0.788435 0.809512 H\n0.407164 0.622127 0.040820 H\n0.581307 0.622127 0.214963 H\n0.592836 0.377874 0.959180 H\n0.616702 0.561506 0.672795 H\n0.111290 0.438495 0.055197 H\n0.383298 0.438495 0.327205 H\n0.888711 0.561506 0.944804 H\n0.418693 0.377874 0.785038 H\n0.545214 0.919255 0.823131 O\n0.903876 0.080746 0.625960 O\n0.180341 0.405720 0.981437 O\n0.575718 0.594281 0.774621 O\n0.819659 0.594280 0.018563 O\n0.424282 0.405719 0.225379 O\n0.223145 0.462707 0.441467 O\n0.305047 0.920532 0.615485 O\n0.776855 0.537294 0.558534 O\n0.021240 0.462707 0.239561 O\n0.694953 0.079469 0.384515 O\n0.213931 0.061877 0.847947 O\n0.786070 0.938124 0.152054 O\n0.096124 0.919255 0.374041 O\n0.978761 0.537294 0.760439 O\n0.454786 0.080746 0.176870 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-O-P",
"density": 2.766800416840553,
"density_atomic": 0.12290596538391017,
"volume": 301.0431583562805,
"volume_molar": 4.8997953363688955,
"formula_full": "Fe3 P2 H16 O16",
"formula_reduced": "Fe3P2(HO)16",
"formula_anonymous": "A2B3C16D16",
"energy_above_hull": 3.3242460405405403,
"spacegroup": 12
},
{
"id": "jvasp-29340",
"created_at": "2022-09-04T14:37:05.490295Z",
"updated_at": "2022-09-04T14:37:05.490312Z",
"structure_string": "Zn3 As2 H16 O16\n1.0\n4.589908 -0.980596 -1.472747\n-2.960169 9.073259 -0.933250\n-1.292261 1.353176 9.405137\nZn As H O\n3 2 16 16\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.622666 0.377334 Zn\n0.000000 0.377334 0.622666 Zn\n0.749517 0.688696 0.688696 As\n0.250484 0.311304 0.311304 As\n0.399614 0.794960 -0.006640 H\n0.600386 0.006639 0.205039 H\n0.988339 0.490455 0.183208 H\n0.011662 0.816792 0.509545 H\n0.011662 0.509545 0.816792 H\n0.988339 0.183208 0.490455 H\n0.466074 0.891048 0.505277 H\n0.399614 -0.006639 0.794961 H\n0.466074 0.505277 0.891048 H\n0.533926 0.108953 0.494723 H\n0.678037 0.720769 0.079524 H\n0.321963 0.920475 0.279230 H\n0.533926 0.494723 0.108952 H\n0.600386 0.205039 0.006639 H\n0.678037 0.079525 0.720770 H\n0.321964 0.279231 0.920476 H\n0.228445 0.855787 0.424288 O\n0.020824 0.839477 0.839477 O\n0.979177 0.160523 0.160523 O\n0.309811 0.610450 0.610450 O\n0.690189 0.389550 0.389550 O\n0.784953 0.516692 0.743074 O\n0.215047 0.256926 0.483308 O\n0.215047 0.483308 0.256926 O\n0.784953 0.743074 0.516692 O\n0.360245 0.958994 0.185051 O\n0.639756 0.814949 0.041005 O\n0.639756 0.041006 0.814950 O\n0.360246 0.185051 0.958995 O\n0.228445 0.424289 0.855787 O\n0.771555 0.575712 0.144213 O\n0.771556 0.144213 0.575712 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Zn",
"As",
"H",
"O"
],
"chemical_system": "As-H-O-Zn",
"density": 2.8703909089013853,
"density_atomic": 0.10346020983811295,
"volume": 357.62541036689294,
"volume_molar": 5.820731244816737,
"formula_full": "Zn3 As2 H16 O16",
"formula_reduced": "Zn3As2(HO)16",
"formula_anonymous": "A2B3C16D16",
"energy_above_hull": 2.7580462351351347,
"spacegroup": 12
},
{
"id": "jvasp-29231",
"created_at": "2022-09-04T14:35:53.369767Z",
"updated_at": "2022-09-04T14:35:53.369779Z",
"structure_string": "Mg3 P2 H16 O16\n1.0\n4.609940 -0.002900 -0.730138\n-1.682606 7.781641 -2.239064\n-0.023015 0.093756 8.269776\nMg P H O\n3 2 16 16\ndirect\n0.000000 0.387080 0.612921 Mg\n-0.000000 0.612920 0.387080 Mg\n0.000000 0.000000 0.000000 Mg\n0.385028 0.314240 0.314240 P\n0.614972 0.685761 0.685761 P\n0.489700 0.827853 0.429947 H\n0.489700 0.429947 0.827854 H\n0.636247 0.207887 0.043465 H\n0.363753 0.956536 0.792114 H\n0.363753 0.792113 0.956536 H\n0.718139 0.178465 0.749141 H\n0.959712 0.318315 0.061259 H\n0.040288 0.938741 0.681685 H\n0.040288 0.681685 0.938742 H\n0.959712 0.061259 0.318315 H\n0.510300 0.570053 0.172147 H\n0.281862 0.250860 0.821536 H\n0.281861 0.821535 0.250860 H\n0.510301 0.172147 0.570054 H\n0.718138 0.749141 0.178465 H\n0.636248 0.043465 0.207887 H\n0.190710 0.015094 0.785547 O\n0.190708 0.785546 0.015094 O\n0.621138 0.842814 0.842814 O\n0.378862 0.157187 0.157187 O\n0.285923 0.602255 0.602255 O\n0.226919 0.441560 0.244283 O\n0.773082 0.558440 0.755718 O\n0.226919 0.244283 0.441561 O\n0.773081 0.755718 0.558440 O\n0.809292 0.214454 0.984907 O\n0.715856 0.174555 0.628215 O\n0.284145 0.371786 0.825446 O\n0.715855 0.628214 0.174555 O\n0.809291 0.984906 0.214454 O\n0.714077 0.397746 0.397746 O\n0.284144 0.825445 0.371786 O\n",
"nsites": 37,
"nelements": 4,
"elements": [
"Mg",
"P",
"H",
"O"
],
"chemical_system": "H-Mg-O-P",
"density": 2.271063841663339,
"density_atomic": 0.12433944953719286,
"volume": 297.5724931847348,
"volume_molar": 4.843306595304361,
"formula_full": "Mg3 P2 H16 O16",
"formula_reduced": "Mg3P2(HO)16",
"formula_anonymous": "A2B3C16D16",
"energy_above_hull": 2.864389301351351,
"spacegroup": 12
}
]
}