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{
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"results": [
{
"id": "mp-1210102",
"created_at": "2022-09-04T14:44:17.942201Z",
"structure_string": "Sr4 Sb4 S10 O30\n1.0\n8.523335 3.745800 -0.427758\n8.523335 -3.745800 -0.427758\n0.971004 0.000000 -12.735951\nSr Sb S O\n4 4 10 30\ndirect\n0.435309 0.276554 0.982427 Sr\n0.564691 0.723446 0.017573 Sr\n0.723446 0.564691 0.517573 Sr\n0.276554 0.435309 0.482427 Sr\n0.150948 0.104727 0.755641 Sb\n0.849052 0.895273 0.244359 Sb\n0.895273 0.849052 0.744359 Sb\n0.104727 0.150948 0.255641 Sb\n0.233551 0.028655 0.497194 S\n0.766449 0.971345 0.502806 S\n0.971345 0.766449 0.002806 S\n0.028655 0.233551 0.997194 S\n0.284205 0.715795 0.750000 S\n0.715795 0.284205 0.250000 S\n0.494138 0.065405 0.771234 S\n0.505862 0.934595 0.228766 S\n0.934595 0.505862 0.728766 S\n0.065405 0.494138 0.271234 S\n0.806021 0.092702 0.819335 O\n0.193979 0.907298 0.180665 O\n0.907298 0.193979 0.680665 O\n0.092702 0.806021 0.319335 O\n0.393999 0.273552 0.786970 O\n0.606001 0.726448 0.213030 O\n0.726448 0.606001 0.713030 O\n0.273552 0.393999 0.286970 O\n0.524630 0.963458 0.880011 O\n0.475370 0.036542 0.119989 O\n0.036542 0.475370 0.619989 O\n0.963458 0.524630 0.380011 O\n0.400942 0.622548 0.650678 O\n0.599058 0.377452 0.349322 O\n0.377452 0.599058 0.849322 O\n0.622548 0.400942 0.150678 O\n0.135735 0.053483 0.916052 O\n0.864265 0.946517 0.083948 O\n0.946517 0.864265 0.583948 O\n0.053483 0.135735 0.416052 O\n0.602257 0.164424 0.551429 O\n0.397743 0.835576 0.448571 O\n0.835576 0.397743 0.948571 O\n0.164424 0.602257 0.051429 O\n0.741727 0.258273 0.750000 O\n0.258273 0.741727 0.250000 O\n0.282871 0.152650 0.485155 O\n0.717129 0.847350 0.514845 O\n0.847350 0.717129 0.014845 O\n0.152650 0.282871 0.985155 O\n",
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"elements": [
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"O"
],
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"volume": 810.122312060272,
"volume_molar": 10.163897075090839,
"formula_full": "Sr4 Sb4 S10 O30",
"formula_reduced": "Sr2Sb2(SO3)5",
"formula_anonymous": "A2B2C5D15",
"energy": -272.31000854,
"energy_per_atom": -5.673125177916667,
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"band_gap": 0.3474999999999997,
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"updated_at": "2021-11-28T01:36:34.699000Z",
"spacegroup": 15
},
{
"id": "mp-1179436",
"created_at": "2022-09-04T14:47:32.376729Z",
"structure_string": "Sr4 Sb16 S28 O24\n1.0\n7.259197 0.000000 0.000000\n0.000000 8.803989 0.000000\n0.000000 6.071220 26.591192\nSr Sb S O\n4 16 28 24\ndirect\n0.650703 0.596225 0.234838 Sr\n0.849297 0.596225 0.734838 Sr\n0.349297 0.403775 0.765162 Sr\n0.150703 0.403775 0.265162 Sr\n0.944147 0.423395 0.131334 Sb\n0.555853 0.423395 0.631334 Sb\n0.055853 0.576605 0.868666 Sb\n0.444147 0.576605 0.368666 Sb\n0.462679 0.327743 0.097064 Sb\n0.037321 0.327743 0.597064 Sb\n0.537321 0.672257 0.902936 Sb\n0.962679 0.672257 0.402936 Sb\n0.317120 0.729162 0.042338 Sb\n0.182880 0.729162 0.542338 Sb\n0.682880 0.270838 0.957662 Sb\n0.817120 0.270838 0.457662 Sb\n0.804470 0.859433 0.010224 Sb\n0.695530 0.859433 0.510224 Sb\n0.195530 0.140567 0.989776 Sb\n0.304470 0.140567 0.489776 Sb\n0.550121 0.591468 0.108850 S\n0.949879 0.591468 0.608850 S\n0.449879 0.408532 0.891150 S\n0.050121 0.408532 0.391150 S\n0.044458 0.705971 0.096833 S\n0.455542 0.705971 0.596833 S\n0.955542 0.294029 0.903167 S\n0.544458 0.294029 0.403167 S\n0.091676 0.889517 0.959090 S\n0.408324 0.889517 0.459090 S\n0.908324 0.110483 0.040910 S\n0.591676 0.110483 0.540910 S\n0.390855 0.985158 0.063377 S\n0.109145 0.985158 0.563377 S\n0.609145 0.014842 0.936623 S\n0.890855 0.014842 0.436623 S\n0.229916 0.267940 0.163864 S\n0.270084 0.267940 0.663864 S\n0.770084 0.732060 0.836136 S\n0.729916 0.732060 0.336136 S\n0.263866 0.416605 0.023313 S\n0.236134 0.416605 0.523313 S\n0.736134 0.583395 0.976687 S\n0.763866 0.583395 0.476687 S\n0.655912 0.015418 0.196054 S\n0.844088 0.015418 0.696054 S\n0.344088 0.984582 0.803946 S\n0.155912 0.984582 0.303946 S\n0.793983 0.349641 0.298070 O\n0.706017 0.349641 0.798070 O\n0.206017 0.650359 0.701930 O\n0.293983 0.650359 0.201930 O\n0.741119 0.897861 0.173220 O\n0.758881 0.897861 0.673220 O\n0.258881 0.102139 0.826780 O\n0.241119 0.102139 0.326780 O\n0.523452 0.955538 0.235628 O\n0.976548 0.955538 0.735628 O\n0.476548 0.044462 0.764372 O\n0.023452 0.044462 0.264372 O\n0.320517 0.757284 0.714922 O\n0.179483 0.757284 0.214922 O\n0.679483 0.242716 0.285078 O\n0.820517 0.242716 0.785078 O\n0.397705 0.540377 0.302926 O\n0.102295 0.540377 0.802926 O\n0.602295 0.459623 0.697074 O\n0.897705 0.459623 0.197074 O\n0.546068 0.306001 0.252058 O\n0.953932 0.306001 0.752058 O\n0.453932 0.693999 0.747942 O\n0.046068 0.693999 0.247942 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "O-S-Sb-Sr",
"density": 3.4984872664051117,
"density_atomic": 0.042366893093699814,
"volume": 1699.4401699639095,
"volume_molar": 14.214260995445814,
"formula_full": "Sr4 Sb16 S28 O24",
"formula_reduced": "SrSb4S7O6",
"formula_anonymous": "AB4C6D7",
"energy": -348.96147112000006,
"energy_per_atom": -4.846687098888889,
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"energy_uncorrected": -348.96147112000006,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.824000Z",
"spacegroup": 14
},
{
"id": "mp-1046188",
"created_at": "2022-09-04T14:39:27.542495Z",
"structure_string": "Sr2 Sb2 P4 O16\n1.0\n6.242996 0.000000 0.000000\n0.990453 6.800322 0.000000\n3.065062 2.999782 8.393153\nSr Sb P O\n2 2 4 16\ndirect\n0.749345 0.737089 0.972776 Sr\n0.250655 0.262911 0.027224 Sr\n0.875492 0.860667 0.468336 Sb\n0.124508 0.139333 0.531664 Sb\n0.837950 0.408221 0.770729 P\n0.162050 0.591779 0.229271 P\n0.400702 0.996898 0.724096 P\n0.599298 0.003102 0.275904 P\n0.045990 0.599734 0.107840 O\n0.584169 0.444071 0.825834 O\n0.105436 0.797881 0.278136 O\n0.787104 0.124682 0.287563 O\n0.415831 0.555929 0.174166 O\n0.617596 0.785541 0.412627 O\n0.382404 0.214459 0.587373 O\n0.632831 0.994085 0.113216 O\n0.894564 0.202119 0.721864 O\n0.367169 0.005915 0.886784 O\n0.954010 0.400266 0.892160 O\n0.958130 0.590709 0.612017 O\n0.041870 0.409291 0.387983 O\n0.644288 0.897762 0.674601 O\n0.212896 0.875318 0.712437 O\n0.355712 0.102238 0.325399 O\n",
"nsites": 24,
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"elements": [
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"P",
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],
"chemical_system": "O-P-Sb-Sr",
"density": 3.721820675285677,
"density_atomic": 0.06735402715862722,
"volume": 356.32613241487365,
"volume_molar": 8.941025524453199,
"formula_full": "Sr2 Sb2 P4 O16",
"formula_reduced": "SrSb(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -175.55374204999998,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.501000Z",
"spacegroup": 2
},
{
"id": "mp-1218503",
"created_at": "2022-09-04T14:43:08.997782Z",
"structure_string": "Sr8 Ru1 Rh3 O16\n1.0\n-2.763680 2.763680 13.025909\n2.763680 -2.763680 13.025909\n2.763680 2.763680 -13.025909\nSr Ru Rh O\n8 1 3 16\ndirect\n0.926425 0.426425 0.500000 Sr\n0.425950 0.925950 0.500000 Sr\n0.325006 0.325006 0.000000 Sr\n0.825001 0.825001 0.000000 Sr\n0.573575 0.073575 0.500000 Sr\n0.074050 0.574050 0.500000 Sr\n0.674994 0.674994 0.000000 Sr\n0.174999 0.174999 0.000000 Sr\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.000000 0.000000 Rh\n0.829177 0.329177 0.500000 O\n0.330893 0.830893 0.500000 O\n0.419431 0.419431 0.000000 O\n0.919421 0.919421 0.000000 O\n0.670823 0.170823 0.500000 O\n0.169107 0.669107 0.500000 O\n0.580569 0.580569 0.000000 O\n0.080579 0.080579 0.000000 O\n0.301383 0.198598 0.499977 O\n0.198594 0.698617 0.897215 O\n0.551929 0.955761 0.007699 O\n0.455769 0.448071 0.403831 O\n0.698621 0.801406 0.500023 O\n0.801402 0.301379 0.102785 O\n0.948062 0.544231 0.992301 O\n0.044239 0.051938 0.596169 O\n",
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"elements": [
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"Ru",
"Rh",
"O"
],
"chemical_system": "O-Rh-Ru-Sr",
"density": 5.7028306475027195,
"density_atomic": 0.0703581625142341,
"volume": 397.96377562212973,
"volume_molar": 8.559263836348292,
"formula_full": "Sr8 Ru1 Rh3 O16",
"formula_reduced": "Sr8RuRh3O16",
"formula_anonymous": "AB3C8D16",
"energy": -191.42424649,
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"updated_at": "2021-11-28T01:36:03.666000Z",
"spacegroup": 82
},
{
"id": "mp-1193929",
"created_at": "2022-09-04T14:39:12.019184Z",
"structure_string": "Sr4 Ru6 Cl1 O18\n1.0\n-4.677141 4.677141 4.677141\n4.677141 -4.677141 4.677141\n4.677141 4.677141 -4.677141\nSr Ru Cl O\n4 6 1 18\ndirect\n0.000000 0.000000 0.374389 Sr\n0.625611 0.625611 0.625611 Sr\n0.000000 0.374389 0.000000 Sr\n0.374389 0.000000 0.000000 Sr\n0.500000 0.663451 0.163451 Ru\n0.336549 0.836549 0.500000 Ru\n0.836549 0.500000 0.336549 Ru\n0.500000 0.336549 0.836549 Ru\n0.163451 0.500000 0.663451 Ru\n0.663451 0.163451 0.500000 Ru\n0.000000 0.000000 0.000000 Cl\n0.647197 0.956199 0.266464 O\n0.380733 0.733536 0.689735 O\n0.690998 0.310265 0.043801 O\n0.689735 0.380733 0.733536 O\n0.043801 0.690998 0.310265 O\n0.266464 0.647197 0.956199 O\n0.310265 0.043801 0.690998 O\n0.956199 0.266464 0.647197 O\n0.733536 0.689735 0.380733 O\n0.352803 0.619267 0.309002 O\n0.619267 0.309002 0.352803 O\n0.309002 0.352803 0.619267 O\n0.626578 0.626578 0.000000 O\n0.626578 0.000000 0.626578 O\n0.000000 0.373422 0.373422 O\n0.373422 0.000000 0.373422 O\n0.000000 0.626578 0.626578 O\n0.373422 0.373422 0.000000 O\n",
"nsites": 29,
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"elements": [
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"Ru",
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"O"
],
"chemical_system": "Cl-O-Ru-Sr",
"density": 5.194859167386757,
"density_atomic": 0.07085926100151406,
"volume": 409.2619594124804,
"volume_molar": 8.498734921708152,
"formula_full": "Sr4 Ru6 Cl1 O18",
"formula_reduced": "Sr4Ru6ClO18",
"formula_anonymous": "AB4C6D18",
"energy": -211.61222759,
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"updated_at": "2021-11-28T01:34:43.220000Z",
"spacegroup": 197
},
{
"id": "mp-1197587",
"created_at": "2022-09-04T14:40:32.649309Z",
"structure_string": "Sr2 Re6 Se8 O22\n1.0\n9.031206 0.000000 0.000000\n3.695625 9.003040 0.000000\n2.112303 3.666056 10.742754\nSr Re Se O\n2 6 8 22\ndirect\n0.951941 0.304248 0.947263 Sr\n0.048059 0.695752 0.052737 Sr\n0.732592 0.503759 0.652145 Re\n0.267408 0.496241 0.347855 Re\n0.668441 0.597212 0.295781 Re\n0.331559 0.402788 0.704219 Re\n0.322690 0.781872 0.475175 Re\n0.677310 0.218128 0.524825 Re\n0.848110 0.385993 0.460836 Se\n0.151890 0.614007 0.539164 Se\n0.376852 0.739400 0.269213 Se\n0.623148 0.260600 0.730787 Se\n0.410278 0.626127 0.694531 Se\n0.589722 0.373873 0.305469 Se\n0.618980 0.745649 0.441641 Se\n0.381020 0.254351 0.558359 Se\n0.732742 0.654069 0.698084 O\n0.267258 0.345931 0.301916 O\n0.775818 0.665809 0.163229 O\n0.224182 0.334191 0.836771 O\n0.210931 0.971173 0.462598 O\n0.789069 0.028827 0.537402 O\n0.569768 0.502019 0.988933 O\n0.430232 0.497981 0.011067 O\n0.030960 0.445020 0.054957 O\n0.969040 0.554980 0.945043 O\n0.772703 0.091662 0.069586 O\n0.227297 0.908338 0.930414 O\n0.204102 0.101184 0.100844 O\n0.795898 0.898816 0.899156 O\n0.904118 0.345031 0.722494 O\n0.095882 0.654969 0.277506 O\n0.843339 0.152541 0.133936 O\n0.156661 0.847459 0.866064 O\n0.286105 0.144464 0.145966 O\n0.713895 0.855536 0.854034 O\n0.629239 0.087439 0.113956 O\n0.370761 0.912561 0.886044 O\n",
"nsites": 38,
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"elements": [
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"Re",
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],
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"density": 4.327122482189943,
"density_atomic": 0.043504385387085454,
"volume": 873.4751603060351,
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"formula_full": "Sr2 Re6 Se8 O22",
"formula_reduced": "SrRe3Se4O11",
"formula_anonymous": "AB3C4D11",
"energy": -241.00135899,
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"updated_at": "2021-11-28T01:35:05.520000Z",
"spacegroup": 2
},
{
"id": "mp-1197376",
"created_at": "2022-09-04T14:46:10.661750Z",
"structure_string": "Sr2 Re6 S8 O22\n1.0\n8.594976 0.000000 0.000000\n3.342683 8.412084 0.000000\n3.240897 0.870626 10.777374\nSr Re S O\n2 6 8 22\ndirect\n0.647521 0.123070 0.075610 Sr\n0.352479 0.876930 0.924390 Sr\n0.445237 0.316301 0.389155 Re\n0.554763 0.683699 0.610845 Re\n0.401686 0.361829 0.703156 Re\n0.598314 0.638171 0.296844 Re\n0.198794 0.685816 0.515089 Re\n0.801206 0.314184 0.484911 Re\n0.590682 0.182754 0.549840 S\n0.409318 0.817246 0.450160 S\n0.286645 0.643932 0.704797 S\n0.713355 0.356068 0.295203 S\n0.336410 0.588908 0.313678 S\n0.663590 0.411092 0.686322 S\n0.216097 0.414058 0.567369 S\n0.783903 0.585942 0.432631 S\n0.427106 0.187690 0.302058 O\n0.572894 0.812310 0.697942 O\n0.329332 0.269173 0.842076 O\n0.670668 0.730827 0.157924 O\n0.990403 0.808585 0.528200 O\n0.009597 0.191415 0.471800 O\n0.519611 0.436915 0.039690 O\n0.480389 0.563085 0.960310 O\n0.559848 0.997411 0.943114 O\n0.440152 0.002589 0.056886 O\n0.946566 0.149713 0.975752 O\n0.053434 0.850287 0.024248 O\n0.933303 0.917210 0.964721 O\n0.066697 0.082790 0.035279 O\n0.814183 0.974485 0.282497 O\n0.185817 0.025515 0.717503 O\n0.039417 0.017314 0.726175 O\n0.960583 0.982686 0.273825 O\n0.873043 0.658635 0.842988 O\n0.126957 0.341365 0.157012 O\n0.930943 0.516510 0.879373 O\n0.069057 0.483490 0.120627 O\n",
"nsites": 38,
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"elements": [
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],
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"volume": 779.2220316106313,
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"formula_full": "Sr2 Re6 S8 O22",
"formula_reduced": "SrRe3S4O11",
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"energy": -249.85595087,
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"id": "mp-1208774",
"created_at": "2022-09-04T14:47:26.232692Z",
"structure_string": "Sr20 Re12 Br4 O60\n1.0\n7.554657 0.000000 0.000000\n0.000000 10.753965 0.000000\n0.000000 0.000000 18.819280\nSr Re Br O\n20 12 4 60\ndirect\n0.259313 0.388374 0.107783 Sr\n0.740687 0.611626 0.892217 Sr\n0.240687 0.888374 0.892217 Sr\n0.740687 0.611626 0.607783 Sr\n0.759313 0.111626 0.107783 Sr\n0.259313 0.388374 0.392217 Sr\n0.759313 0.111626 0.392217 Sr\n0.240687 0.888374 0.607783 Sr\n0.280489 0.484782 0.750000 Sr\n0.719511 0.515218 0.250000 Sr\n0.219511 0.984782 0.250000 Sr\n0.780489 0.015218 0.750000 Sr\n0.000609 0.253733 0.584995 Sr\n0.999391 0.746267 0.415005 Sr\n0.499391 0.753733 0.415005 Sr\n0.999391 0.746267 0.084995 Sr\n0.500609 0.246267 0.584995 Sr\n0.000609 0.253733 0.915005 Sr\n0.500609 0.246267 0.915005 Sr\n0.499391 0.753733 0.084995 Sr\n0.220238 0.146483 0.750000 Re\n0.779762 0.853517 0.250000 Re\n0.279762 0.646483 0.250000 Re\n0.720238 0.353517 0.750000 Re\n0.207307 0.558788 0.557050 Re\n0.792693 0.441212 0.442950 Re\n0.292693 0.058788 0.442950 Re\n0.792693 0.441212 0.057050 Re\n0.707307 0.941212 0.557050 Re\n0.207307 0.558788 0.942950 Re\n0.707307 0.941212 0.942950 Re\n0.292693 0.058788 0.057050 Re\n0.119130 0.756429 0.750000 Br\n0.880870 0.243571 0.250000 Br\n0.380870 0.256429 0.250000 Br\n0.619130 0.743571 0.750000 Br\n0.125721 0.110049 0.116104 O\n0.874279 0.889951 0.883896 O\n0.374279 0.610049 0.883896 O\n0.874279 0.889951 0.616104 O\n0.625721 0.389951 0.116104 O\n0.125721 0.110049 0.383896 O\n0.625721 0.389951 0.383896 O\n0.374279 0.610049 0.616104 O\n0.226543 0.099876 0.535224 O\n0.773457 0.900124 0.464776 O\n0.273457 0.599876 0.464776 O\n0.773457 0.900124 0.035224 O\n0.726543 0.400124 0.535224 O\n0.226543 0.099876 0.964776 O\n0.726543 0.400124 0.964776 O\n0.273457 0.599876 0.035224 O\n0.417519 0.061077 0.750000 O\n0.582481 0.938923 0.250000 O\n0.082481 0.561077 0.250000 O\n0.917519 0.438923 0.750000 O\n0.250821 0.273184 0.682799 O\n0.749179 0.726816 0.317201 O\n0.249179 0.773184 0.317201 O\n0.749179 0.726816 0.182799 O\n0.750821 0.226816 0.682799 O\n0.250821 0.273184 0.817201 O\n0.750821 0.226816 0.817201 O\n0.249179 0.773184 0.182799 O\n0.038865 0.489087 0.615456 O\n0.961135 0.510913 0.384544 O\n0.461135 0.989087 0.384544 O\n0.961135 0.510913 0.115455 O\n0.538865 0.010913 0.615456 O\n0.038865 0.489087 0.884544 O\n0.538865 0.010913 0.884544 O\n0.461135 0.989087 0.115455 O\n0.055143 0.693679 0.551283 O\n0.944857 0.306321 0.448717 O\n0.444857 0.193679 0.448717 O\n0.944857 0.306321 0.051283 O\n0.555143 0.806321 0.551283 O\n0.055143 0.693679 0.948717 O\n0.555143 0.806321 0.948717 O\n0.444857 0.193679 0.051283 O\n0.078059 0.071246 0.682484 O\n0.921941 0.928754 0.317516 O\n0.421941 0.571246 0.317516 O\n0.921941 0.928754 0.182484 O\n0.578059 0.428754 0.682484 O\n0.078059 0.071246 0.817516 O\n0.578059 0.428754 0.817516 O\n0.421941 0.571246 0.182484 O\n0.263900 0.396493 0.531367 O\n0.736100 0.603507 0.468633 O\n0.236100 0.896493 0.468633 O\n0.736100 0.603507 0.031367 O\n0.763900 0.103507 0.531367 O\n0.263900 0.396493 0.968633 O\n0.763900 0.103507 0.968633 O\n0.236100 0.896493 0.031367 O\n",
"nsites": 96,
"nelements": 4,
"elements": [
"Sr",
"Re",
"Br",
"O"
],
"chemical_system": "Br-O-Re-Sr",
"density": 5.719813173217026,
"density_atomic": 0.06278918693727342,
"volume": 1528.9256746691794,
"volume_molar": 9.591047525453922,
"formula_full": "Sr20 Re12 Br4 O60",
"formula_reduced": "Sr5Re3BrO15",
"formula_anonymous": "AB3C5D15",
"energy": -751.28359538,
"energy_per_atom": -7.825870785208333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -707.92759538,
"band_gap": 2.3998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0950421,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.109000Z",
"spacegroup": 62
}
]
}