{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_full&page=10233","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_full&page=10231","results":[{"id":"mp-699686","created_at":"2022-09-04T14:47:44.450288Z","structure_string":"Sr51 W12 N56 O3\n1.0\n11.234711 0.000000 0.000000\n-4.470057 12.405558 0.000000\n-1.578492 -4.486574 16.308729\nSr W N O\n51 12 56 3\ndirect\n0.921480 0.359145 0.330067 Sr\n0.875709 0.344182 0.542586 Sr\n0.796649 0.546233 0.473503 Sr\n0.593651 0.236338 0.626201 Sr\n0.604336 0.198861 0.835618 Sr\n0.849934 0.497018 0.934306 Sr\n0.466341 0.522867 0.401997 Sr\n0.066813 0.822493 0.848368 Sr\n0.533659 0.477133 0.598003 Sr\n0.762967 0.720474 0.902216 Sr\n0.237033 0.279526 0.097784 Sr\n0.355924 0.901963 0.746626 Sr\n0.744935 0.814003 0.494134 Sr\n0.679742 0.018286 0.674016 Sr\n0.009334 0.952755 0.199953 Sr\n0.078520 0.640855 0.669933 Sr\n0.455891 0.607833 0.975816 Sr\n0.912638 0.310840 0.751168 Sr\n0.285470 0.133948 0.722087 Sr\n0.577528 0.334161 0.231950 Sr\n0.309787 0.044784 0.122814 Sr\n0.255065 0.185997 0.505866 Sr\n0.359318 0.858344 0.948022 Sr\n0.150066 0.502982 0.065694 Sr\n0.124291 0.655818 0.457414 Sr\n0.238260 0.232593 0.298978 Sr\n0.544109 0.392167 0.024184 Sr\n0.320258 0.981714 0.325984 Sr\n0.142085 0.577670 0.856735 Sr\n0.395664 0.801139 0.164382 Sr\n0.761740 0.767407 0.701022 Sr\n0.203351 0.453767 0.526497 Sr\n0.479363 0.570426 0.181799 Sr\n0.974744 0.136856 0.596345 Sr\n0.714530 0.866052 0.277913 Sr\n0.933187 0.177507 0.151632 Sr\n0.406349 0.763662 0.373799 Sr\n0.640682 0.141656 0.051978 Sr\n0.355214 0.957688 0.544242 Sr\n0.783642 0.674221 0.097716 Sr\n0.990666 0.047245 0.800047 Sr\n0.857915 0.422330 0.143265 Sr\n0.216358 0.325779 0.902284 Sr\n0.644076 0.098037 0.253374 Sr\n0.644786 0.042312 0.455758 Sr\n0.422472 0.665839 0.768050 Sr\n0.000000 0.000000 0.000000 Sr\n0.520637 0.429574 0.818201 Sr\n0.025256 0.863144 0.403655 Sr\n0.690213 0.955216 0.877186 Sr\n0.087362 0.689160 0.248832 Sr\n0.970171 0.099461 0.385014 W\n0.029829 0.900539 0.614986 W\n0.372234 0.119242 0.943232 W\n0.905410 0.258110 0.931816 W\n0.517984 0.244818 0.409294 W\n0.223752 0.485171 0.264642 W\n0.218296 0.379747 0.715532 W\n0.482016 0.755182 0.590706 W\n0.094590 0.741890 0.068184 W\n0.627766 0.880758 0.056768 W\n0.776248 0.514829 0.735358 W\n0.781704 0.620253 0.284468 W\n0.650515 0.581649 0.751503 N\n0.564105 0.652568 0.553445 N\n0.212773 0.009151 0.945020 N\n0.442637 0.171723 0.296238 N\n0.881882 0.101491 0.286306 N\n0.650278 0.542841 0.956864 N\n0.287165 0.622123 0.231451 N\n0.838942 0.986094 0.422337 N\n0.383875 0.226984 0.879448 N\n0.684577 0.518791 0.180488 N\n0.900994 0.564793 0.329544 N\n0.935494 0.608100 0.802979 N\n0.435895 0.347432 0.446555 N\n0.009717 0.389007 0.904956 N\n0.349485 0.418351 0.248497 N\n0.516556 0.954957 0.094769 N\n0.315423 0.481209 0.819512 N\n0.184393 0.850440 0.172341 N\n0.349722 0.457159 0.043136 N\n0.536198 0.868589 0.530959 N\n0.979940 0.790610 0.010416 N\n0.099006 0.435207 0.670456 N\n0.781806 0.301160 0.986766 N\n0.122200 0.244230 0.740064 N\n0.616125 0.773016 0.120552 N\n0.064506 0.391900 0.197021 N\n0.877800 0.755770 0.259936 N\n0.889158 0.945426 0.644233 N\n0.118118 0.898509 0.713694 N\n0.669302 0.645674 0.359201 N\n0.557363 0.828277 0.703762 N\n0.110842 0.054574 0.355767 N\n0.161058 0.013906 0.577663 N\n0.479799 0.085210 0.685678 N\n0.781703 0.485387 0.620538 N\n0.136284 0.113908 0.156442 N\n0.483444 0.045043 0.905231 N\n0.787227 0.990849 0.054980 N\n0.559068 0.799244 0.943919 N\n0.330698 0.354326 0.640799 N\n0.815607 0.149560 0.827659 N\n0.960942 0.756933 0.536525 N\n0.218297 0.514613 0.379462 N\n0.256443 0.739134 0.803850 N\n0.218194 0.698840 0.013234 N\n0.020060 0.209390 0.989584 N\n0.039058 0.243067 0.463475 N\n0.463802 0.131411 0.469041 N\n0.300013 0.689958 0.583667 N\n0.712835 0.377877 0.768549 N\n0.520201 0.914790 0.314322 N\n0.863716 0.886092 0.843558 N\n0.699987 0.310042 0.416333 N\n0.440932 0.200756 0.056081 N\n0.990283 0.610993 0.095044 N\n0.743557 0.260866 0.196150 N\n0.000000 0.000000 0.500000 O\n0.222677 0.821266 0.394118 O\n0.777323 0.178734 0.605882 O\n","nsites":122,"nelements":4,"elements":["Sr","W","N","O"],"chemical_system":"N-O-Sr-W","density":5.484302921904753,"density_atomic":0.05367369645896352,"volume":2272.9941861424745,"volume_molar":11.219910602960347,"formula_full":"Sr51 W12 N56 O3","formula_reduced":"Sr51W12N56O3","formula_anonymous":"A3B12C51D56","energy":-833.44057458,"energy_per_atom":-6.831480119508196,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-757.90757458,"band_gap":0.0986000000000002,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0006105,"is_theoretical":false,"updated_at":"2021-11-28T01:38:22.349000Z","spacegroup":2},{"id":"mp-29546","created_at":"2022-09-04T14:47:19.186058Z","structure_string":"Sr52 Mg8 Si80\n1.0\n9.838278 0.000000 0.000000\n0.000000 15.281498 0.000000\n0.000000 0.000000 23.351256\nMg Si Sr\n8 80 52\ndirect\n0.000000 0.070590 0.290872 Mg\n0.000000 0.929410 0.709128 Mg\n0.000000 0.570590 0.209128 Mg\n0.000000 0.429410 0.790872 Mg\n0.500000 0.288075 0.166194 Mg\n0.500000 0.711925 0.833806 Mg\n0.500000 0.788075 0.333806 Mg\n0.500000 0.211925 0.666194 Mg\n0.000000 0.552967 0.086684 Si\n0.000000 0.447033 0.913316 Si\n0.000000 0.052967 0.413316 Si\n0.000000 0.947033 0.586684 Si\n0.000000 0.669088 0.018165 Si\n0.000000 0.330912 0.981835 Si\n0.000000 0.169088 0.481835 Si\n0.000000 0.830912 0.518165 Si\n0.000000 0.816634 0.056275 Si\n0.000000 0.183366 0.943725 Si\n0.000000 0.316634 0.443725 Si\n0.000000 0.683366 0.556275 Si\n0.000000 0.859557 0.153843 Si\n0.000000 0.140443 0.846157 Si\n0.000000 0.359557 0.346157 Si\n0.000000 0.640443 0.653843 Si\n0.000000 0.254832 0.269674 Si\n0.000000 0.745168 0.730326 Si\n0.000000 0.754832 0.230326 Si\n0.000000 0.245168 0.769674 Si\n0.000000 0.010799 0.179221 Si\n0.000000 0.989201 0.820779 Si\n0.000000 0.510799 0.320779 Si\n0.000000 0.489201 0.679221 Si\n0.000000 0.125592 0.108674 Si\n0.000000 0.874408 0.891326 Si\n0.000000 0.625592 0.391326 Si\n0.000000 0.374408 0.608674 Si\n0.000000 0.926322 0.986167 Si\n0.000000 0.073678 0.013833 Si\n0.000000 0.426322 0.513833 Si\n0.000000 0.573678 0.486167 Si\n0.198256 0.514290 0.142469 Si\n0.198256 0.485710 0.857530 Si\n0.801744 0.014290 0.357530 Si\n0.801744 0.985710 0.642470 Si\n0.801744 0.485710 0.857530 Si\n0.801744 0.514290 0.142469 Si\n0.198256 0.985710 0.642470 Si\n0.198256 0.014290 0.357530 Si\n0.301590 0.378565 0.119415 Si\n0.301590 0.621435 0.880585 Si\n0.698410 0.878565 0.380585 Si\n0.698410 0.121435 0.619415 Si\n0.698410 0.621435 0.880585 Si\n0.698410 0.378565 0.119415 Si\n0.301590 0.121435 0.619415 Si\n0.301590 0.878565 0.380585 Si\n0.500000 0.613942 0.941313 Si\n0.500000 0.386058 0.058687 Si\n0.500000 0.113942 0.558687 Si\n0.500000 0.886058 0.441313 Si\n0.500000 0.660121 0.038935 Si\n0.500000 0.339879 0.961065 Si\n0.500000 0.160121 0.461065 Si\n0.500000 0.839879 0.538935 Si\n0.500000 0.816303 0.056201 Si\n0.500000 0.183697 0.943799 Si\n0.500000 0.316303 0.443799 Si\n0.500000 0.683697 0.556201 Si\n0.500000 0.858637 0.153268 Si\n0.500000 0.141363 0.846732 Si\n0.500000 0.358637 0.346732 Si\n0.500000 0.641363 0.653268 Si\n0.500000 0.240852 0.281279 Si\n0.500000 0.759148 0.718721 Si\n0.500000 0.740852 0.218721 Si\n0.500000 0.259148 0.781279 Si\n0.500000 0.994277 0.814462 Si\n0.500000 0.005723 0.185538 Si\n0.500000 0.494277 0.685538 Si\n0.500000 0.505723 0.314462 Si\n0.500000 0.881615 0.886341 Si\n0.500000 0.118385 0.113659 Si\n0.500000 0.381615 0.613659 Si\n0.500000 0.618385 0.386341 Si\n0.500000 0.926556 0.984976 Si\n0.500000 0.073444 0.015024 Si\n0.500000 0.426556 0.515024 Si\n0.500000 0.573444 0.484976 Si\n0.748379 0.000000 0.500000 Sr\n0.251621 0.500000 0.000000 Sr\n0.251621 0.000000 0.500000 Sr\n0.748379 0.500000 0.000000 Sr\n0.000000 0.654531 0.875703 Sr\n0.000000 0.345469 0.124297 Sr\n0.000000 0.154531 0.624297 Sr\n0.000000 0.845469 0.375703 Sr\n0.500000 0.541266 0.157306 Sr\n0.500000 0.458734 0.842694 Sr\n0.500000 0.041266 0.342694 Sr\n0.500000 0.958734 0.657306 Sr\n0.263503 0.776818 0.963937 Sr\n0.263503 0.223182 0.036063 Sr\n0.736497 0.276818 0.536063 Sr\n0.736497 0.723182 0.463937 Sr\n0.736497 0.223182 0.036063 Sr\n0.736497 0.776818 0.963937 Sr\n0.263503 0.723182 0.463937 Sr\n0.263503 0.276818 0.536063 Sr\n0.236699 0.712792 0.124446 Sr\n0.236699 0.287208 0.875554 Sr\n0.763301 0.212792 0.375554 Sr\n0.763301 0.787208 0.624446 Sr\n0.763301 0.287208 0.875554 Sr\n0.763301 0.712792 0.124446 Sr\n0.236699 0.787208 0.624446 Sr\n0.236699 0.212792 0.375554 Sr\n0.250331 0.970496 0.084990 Sr\n0.250331 0.029504 0.915010 Sr\n0.749669 0.470496 0.415010 Sr\n0.749669 0.529504 0.584990 Sr\n0.749669 0.029504 0.915010 Sr\n0.749669 0.970496 0.084990 Sr\n0.250331 0.529504 0.584990 Sr\n0.250331 0.470496 0.415010 Sr\n0.249439 0.650059 0.294674 Sr\n0.249439 0.349941 0.705326 Sr\n0.750561 0.150059 0.205326 Sr\n0.750561 0.849941 0.794674 Sr\n0.750561 0.349941 0.705326 Sr\n0.750561 0.650059 0.294674 Sr\n0.249439 0.849941 0.794674 Sr\n0.249439 0.150059 0.205326 Sr\n0.249312 0.394742 0.255504 Sr\n0.249312 0.605258 0.744496 Sr\n0.750688 0.894742 0.244496 Sr\n0.750688 0.105258 0.755504 Sr\n0.750688 0.605258 0.744496 Sr\n0.750688 0.394742 0.255504 Sr\n0.249312 0.105258 0.755504 Sr\n0.249312 0.894742 0.244496 Sr\n","nsites":140,"nelements":3,"elements":["Mg","Si","Sr"],"chemical_system":"Mg-Si-Sr","density":3.3097712689554903,"density_atomic":0.03987794513015833,"volume":3510.7124888970966,"volume_molar":15.101431982877324,"formula_full":"Sr52 Mg8 Si80","formula_reduced":"Sr13(MgSi10)2","formula_anonymous":"A2B13C20","energy":-584.6065023000001,"energy_per_atom":-4.175760730714287,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-590.2865023,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.36e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:38:06.162000Z","spacegroup":55},{"id":"mp-1219124","created_at":"2022-09-04T14:47:05.762472Z","structure_string":"Sr56 Ga4 As44\n1.0\n-8.315356 8.314126 -11.149565\n8.315356 -8.314126 -11.149565\n-8.315356 -8.314126 -11.149565\nSr Ga As\n56 4 44\ndirect\n0.753655 0.372172 0.533994 Sr\n0.253655 0.787649 0.618516 Sr\n0.373000 0.758108 0.025285 Sr\n0.873000 0.898285 0.385107 Sr\n0.241786 0.627077 0.475148 Sr\n0.741786 0.216934 0.385291 Sr\n0.627861 0.246216 0.966466 Sr\n0.127861 0.094327 0.618356 Sr\n0.897775 0.872923 0.885291 Sr\n0.397775 0.283066 0.975148 Sr\n0.787318 0.253784 0.118356 Sr\n0.287318 0.405673 0.466466 Sr\n0.093835 0.127828 0.118516 Sr\n0.593835 0.712351 0.033994 Sr\n0.216607 0.741892 0.885107 Sr\n0.716607 0.601715 0.525285 Sr\n0.980284 0.625495 0.901445 Sr\n0.480284 0.381729 0.645211 Sr\n0.625669 0.980621 0.400949 Sr\n0.125669 0.526618 0.354952 Sr\n0.018350 0.371661 0.099484 Sr\n0.518350 0.617834 0.353312 Sr\n0.371856 0.018717 0.598952 Sr\n0.871856 0.470809 0.646860 Sr\n0.528855 0.128339 0.853312 Sr\n0.028855 0.882166 0.599484 Sr\n0.382331 0.481283 0.146860 Sr\n0.882331 0.029191 0.098952 Sr\n0.473060 0.874505 0.145211 Sr\n0.973060 0.118271 0.401445 Sr\n0.618430 0.519379 0.854952 Sr\n0.118430 0.973382 0.900949 Sr\n0.664429 0.437495 0.085393 Sr\n0.164429 0.249822 0.773067 Sr\n0.438276 0.665679 0.583065 Sr\n0.938276 0.521341 0.227403 Sr\n0.334078 0.560078 0.917428 Sr\n0.834078 0.751507 0.225999 Sr\n0.560900 0.335346 0.415040 Sr\n0.060900 0.475940 0.774447 Sr\n0.522494 0.939922 0.725999 Sr\n0.022494 0.748493 0.417428 Sr\n0.249614 0.164654 0.274447 Sr\n0.749614 0.024060 0.915040 Sr\n0.477112 0.062505 0.273067 Sr\n0.977112 0.250178 0.585393 Sr\n0.751256 0.834321 0.727403 Sr\n0.251256 0.978659 0.083065 Sr\n0.600496 0.750000 0.649504 Sr\n0.100496 0.750000 0.149504 Sr\n0.747677 0.598740 0.150598 Sr\n0.247677 0.398275 0.851063 Sr\n0.400013 0.250000 0.349987 Sr\n0.900013 0.250000 0.849987 Sr\n0.750662 0.101725 0.650598 Sr\n0.250662 0.901260 0.351063 Sr\n0.624851 0.875107 0.250044 Ga\n0.124851 0.374894 0.250256 Ga\n0.874849 0.624893 0.750256 Ga\n0.374849 0.125106 0.750044 Ga\n0.259174 0.009142 0.481557 As\n0.759174 0.240731 0.749968 As\n0.009301 0.259269 0.981557 As\n0.509301 0.490858 0.249968 As\n0.744489 0.994457 0.510995 As\n0.244489 0.755484 0.249968 As\n0.994549 0.744516 0.010995 As\n0.494549 0.505543 0.749968 As\n0.814998 0.429029 0.879095 As\n0.314998 0.194094 0.614031 As\n0.428677 0.815627 0.379574 As\n0.928677 0.308251 0.386950 As\n0.184097 0.571028 0.121073 As\n0.684097 0.805170 0.386931 As\n0.570667 0.184688 0.621544 As\n0.070667 0.692211 0.614021 As\n0.307899 0.928972 0.886931 As\n0.807899 0.694830 0.621073 As\n0.193768 0.315312 0.114021 As\n0.693768 0.807789 0.121544 As\n0.691876 0.070971 0.114031 As\n0.191876 0.305906 0.379095 As\n0.804800 0.684373 0.886950 As\n0.304800 0.191749 0.879574 As\n0.823766 0.427284 0.156105 As\n0.323766 0.479871 0.603518 As\n0.427313 0.822289 0.656992 As\n0.927313 0.584305 0.394976 As\n0.177991 0.572698 0.843345 As\n0.677991 0.521337 0.394706 As\n0.572671 0.176455 0.344287 As\n0.072671 0.416958 0.603784 As\n0.583957 0.927302 0.894706 As\n0.083957 0.978663 0.343345 As\n0.479258 0.323545 0.103784 As\n0.979258 0.083042 0.844287 As\n0.416611 0.072716 0.103518 As\n0.916611 0.020129 0.656105 As\n0.520718 0.677711 0.894976 As\n0.020718 0.915695 0.156992 As\n0.112930 0.862852 0.774235 As\n0.612930 0.387165 0.749922 As\n0.862913 0.112835 0.274235 As\n0.362913 0.637148 0.249922 As\n","nsites":104,"nelements":3,"elements":["Sr","Ga","As"],"chemical_system":"As-Ga-Sr","density":4.568149585655767,"density_atomic":0.03373012690743111,"volume":3083.2970265844947,"volume_molar":17.853892979789702,"formula_full":"Sr56 Ga4 As44","formula_reduced":"Sr14GaAs11","formula_anonymous":"AB11C14","energy":-426.49941865,"energy_per_atom":-4.100955948557692,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-426.49941865,"band_gap":0.5084,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:37:56.244000Z","spacegroup":45},{"id":"mp-530564","created_at":"2022-09-04T14:39:21.603934Z","structure_string":"Sr56 Mn4 As44\n1.0\n14.277937 0.044647 -7.614347\n-9.145282 13.314990 -0.956351\n0.027614 -0.044647 16.181378\nAs Mn Sr\n44 4 56\ndirect\n0.121624 0.931702 0.818224 As\n0.156865 0.584674 0.980112 As\n0.249981 0.861981 0.637892 As\n0.250054 0.744933 0.754607 As\n0.102291 0.427226 0.582744 As\n0.115439 0.183764 0.805737 As\n0.121973 0.690298 0.305737 As\n0.009674 0.755067 0.005121 As\n0.343192 0.521519 0.915244 As\n0.113575 0.431168 0.309989 As\n0.103718 0.176176 0.521096 As\n0.393725 0.978481 0.321673 As\n0.379376 0.680701 0.568850 As\n0.615439 0.809702 0.931674 As\n0.478948 0.489247 0.739144 As\n0.378821 0.196414 0.809989 As\n0.386522 0.696600 0.318224 As\n0.395438 0.915326 0.072191 As\n0.344920 0.323824 0.427542 As\n0.249897 0.010753 0.489701 As\n0.843192 0.927948 0.821673 As\n0.275911 0.387911 0.137892 As\n0.155518 0.072774 0.175065 As\n0.750054 0.995447 0.505121 As\n0.775911 0.638019 0.888000 As\n0.656865 0.676753 0.572191 As\n0.603718 0.082622 0.927542 As\n0.613575 0.303586 0.682407 As\n0.621624 0.803400 0.189922 As\n0.509674 0.504553 0.254607 As\n0.388149 0.189474 0.068850 As\n0.621973 0.316236 0.431674 As\n0.602291 0.019547 0.675065 As\n0.895438 0.823247 0.480112 As\n0.886522 0.568298 0.689922 As\n0.655518 0.480453 0.082744 As\n0.978948 0.239804 0.989701 As\n0.879376 0.310526 0.698675 As\n0.888149 0.819299 0.198675 As\n0.893725 0.572052 0.415244 As\n0.749981 0.112089 0.388000 As\n0.749897 0.260196 0.239144 As\n0.844920 0.417378 0.021096 As\n0.878821 0.068832 0.182407 As\n0.250898 0.125299 0.875629 Mn\n0.250330 0.624730 0.375629 Mn\n0.750330 0.374701 0.625600 Mn\n0.750898 0.875270 0.125600 Mn\n0.148328 0.750000 0.898328 Sr\n0.024089 0.742042 0.627235 Sr\n0.034537 0.787365 0.406501 Sr\n0.083799 0.521639 0.748980 Sr\n0.355390 0.975049 0.876348 Sr\n0.119136 0.371963 0.906501 Sr\n0.100444 0.128281 0.981065 Sr\n0.145011 0.624079 0.525341 Sr\n0.419988 0.753564 0.976067 Sr\n0.149095 0.901043 0.253238 Sr\n0.475514 0.871561 0.756958 Sr\n0.352783 0.880621 0.481065 Sr\n0.352196 0.598957 0.748053 Sr\n0.227341 0.978361 0.062159 Sr\n0.275486 0.334728 0.751524 Sr\n0.222503 0.746436 0.166424 Sr\n0.270902 0.434904 0.521600 Sr\n0.100415 0.471719 0.119342 Sr\n0.147623 0.018927 0.619342 Sr\n0.600444 0.619379 0.972162 Sr\n0.086696 0.065096 0.335998 Sr\n0.119116 0.248015 0.213221 Sr\n0.583799 0.834818 0.562159 Sr\n0.619136 0.712635 0.747172 Sr\n0.351618 0.250000 0.601618 Sr\n0.524089 0.896854 0.282047 Sr\n0.401299 0.520958 0.376348 Sr\n0.619116 0.405895 0.871101 Sr\n0.385193 0.603146 0.127235 Sr\n0.600415 0.481073 0.628696 Sr\n0.465206 0.094105 0.713221 Sr\n0.648328 0.750000 0.398328 Sr\n0.385397 0.281445 0.256958 Sr\n0.416796 0.165272 0.440758 Sr\n0.885193 0.757958 0.782047 Sr\n0.919988 0.943921 0.666424 Sr\n0.401262 0.380331 0.025341 Sr\n0.855390 0.979042 0.380341 Sr\n0.901299 0.524951 0.880341 Sr\n0.722503 0.556079 0.476067 Sr\n0.770902 0.249302 0.835998 Sr\n0.727341 0.665182 0.248980 Sr\n0.775486 0.023962 0.940758 Sr\n0.649095 0.395857 0.248053 Sr\n0.645011 0.119669 0.520931 Sr\n0.534537 0.128037 0.247172 Sr\n0.852196 0.104143 0.753238 Sr\n0.586696 0.250698 0.021600 Sr\n0.852783 0.371719 0.472162 Sr\n0.901262 0.875921 0.020931 Sr\n0.885397 0.628439 0.103953 Sr\n0.647623 0.028281 0.128696 Sr\n0.916796 0.476038 0.251524 Sr\n0.975514 0.218555 0.603953 Sr\n0.965206 0.251985 0.371101 Sr\n0.851618 0.250000 0.101618 Sr\n","nsites":104,"nelements":3,"elements":["As","Mn","Sr"],"chemical_system":"As-Mn-Sr","density":4.538299451046443,"density_atomic":0.03374499945750384,"volume":3081.938114444795,"volume_molar":17.846024171918792,"formula_full":"Sr56 Mn4 As44","formula_reduced":"Sr14MnAs11","formula_anonymous":"AB11C14","energy":-449.02876749000006,"energy_per_atom":-4.317584302788462,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-449.02876749000006,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":15.5539703,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.564000Z","spacegroup":45},{"id":"mp-569111","created_at":"2022-09-04T14:44:16.529536Z","structure_string":"Sr56 Mn4 Bi44\n1.0\n-9.033128 9.033128 11.843527\n9.033128 -9.033128 11.843527\n9.033128 9.033128 -11.843527\nSr Mn Bi\n56 4 44\ndirect\n0.500261 0.603948 0.851913 Sr\n0.625000 0.229718 0.104718 Sr\n0.160501 0.026116 0.781493 Sr\n0.897217 0.375846 0.837415 Sr\n0.125000 0.020282 0.395282 Sr\n0.770282 0.875000 0.395282 Sr\n0.129008 0.410501 0.634386 Sr\n0.752035 0.648348 0.148087 Sr\n0.711569 0.374154 0.021371 Sr\n0.440198 0.961569 0.837415 Sr\n0.309802 0.288431 0.662585 Sr\n0.038431 0.875846 0.478629 Sr\n0.497965 0.146052 0.396313 Sr\n0.353948 0.002035 0.603687 Sr\n0.125000 0.520282 0.895282 Sr\n0.997965 0.601652 0.351913 Sr\n0.940198 0.102783 0.478629 Sr\n0.625846 0.647217 0.337415 Sr\n0.896052 0.999739 0.148087 Sr\n0.352783 0.690198 0.978629 Sr\n0.124154 0.602783 0.162585 Sr\n0.000261 0.148348 0.896313 Sr\n0.660501 0.879008 0.134386 Sr\n0.505378 0.870992 0.281493 Sr\n0.852783 0.874154 0.662585 Sr\n0.211569 0.190198 0.337415 Sr\n0.005378 0.723884 0.634386 Sr\n0.744622 0.526116 0.865614 Sr\n0.252035 0.103948 0.103687 Sr\n0.244622 0.379008 0.218507 Sr\n0.351652 0.499739 0.103687 Sr\n0.249739 0.646052 0.648087 Sr\n0.749739 0.101652 0.603687 Sr\n0.625000 0.729718 0.604718 Sr\n0.898348 0.502035 0.648087 Sr\n0.851652 0.747965 0.851913 Sr\n0.620992 0.839499 0.865614 Sr\n0.276116 0.910501 0.281493 Sr\n0.853948 0.250261 0.351913 Sr\n0.125846 0.788431 0.978629 Sr\n0.776116 0.494622 0.365614 Sr\n0.973884 0.755378 0.134386 Sr\n0.120992 0.255378 0.781493 Sr\n0.589499 0.223884 0.718507 Sr\n0.624154 0.461569 0.521371 Sr\n0.979718 0.375000 0.104718 Sr\n0.538431 0.059802 0.162585 Sr\n0.396052 0.247965 0.896313 Sr\n0.398348 0.750261 0.396313 Sr\n0.479718 0.375000 0.604718 Sr\n0.089499 0.370992 0.365614 Sr\n0.809802 0.147217 0.021371 Sr\n0.270282 0.875000 0.895282 Sr\n0.473884 0.339499 0.218507 Sr\n0.397217 0.559802 0.521371 Sr\n0.629008 0.994622 0.718507 Sr\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.865309 0.365309 0.230618 Bi\n0.291116 0.698889 0.145434 Bi\n0.884691 0.884691 0.269382 Bi\n0.553455 0.145682 0.854566 Bi\n0.948889 0.041116 0.645434 Bi\n0.365309 0.134691 0.500000 Bi\n0.458884 0.551111 0.354566 Bi\n0.354318 0.946545 0.145434 Bi\n0.056686 0.198055 0.132489 Bi\n0.053455 0.198889 0.407773 Bi\n0.500000 0.000000 0.500000 Bi\n0.196545 0.104318 0.645434 Bi\n0.801945 0.934434 0.858631 Bi\n0.684434 0.325804 0.632489 Bi\n0.448055 0.806686 0.632489 Bi\n0.174196 0.815566 0.367511 Bi\n0.565566 0.698055 0.141369 Bi\n0.674196 0.306686 0.358631 Bi\n0.075804 0.943314 0.141369 Bi\n0.750000 0.750000 0.000000 Bi\n0.556686 0.424196 0.858631 Bi\n0.384691 0.115309 0.000000 Bi\n0.065566 0.924196 0.867511 Bi\n0.000000 0.500000 0.500000 Bi\n0.301945 0.443314 0.867511 Bi\n0.801111 0.208884 0.854566 Bi\n0.250000 0.250000 0.000000 Bi\n0.395682 0.303455 0.354566 Bi\n0.301111 0.446545 0.592227 Bi\n0.696545 0.051111 0.092227 Bi\n0.791116 0.645682 0.592227 Bi\n0.193314 0.825804 0.641369 Bi\n0.958884 0.604318 0.907773 Bi\n0.115309 0.384691 0.000000 Bi\n0.948055 0.315566 0.641369 Bi\n0.634691 0.865309 0.500000 Bi\n0.693314 0.051945 0.367511 Bi\n0.575804 0.434434 0.132489 Bi\n0.854318 0.708884 0.407773 Bi\n0.895682 0.541116 0.092227 Bi\n0.448889 0.803455 0.907773 Bi\n0.134691 0.634691 0.769382 Bi\n0.615309 0.615309 0.730618 Bi\n0.184434 0.551945 0.358631 Bi\n","nsites":104,"nelements":3,"elements":["Sr","Mn","Bi"],"chemical_system":"Bi-Mn-Sr","density":6.152102456091713,"density_atomic":0.02690394490853281,"volume":3865.604109493085,"volume_molar":22.38385775942482,"formula_full":"Sr56 Mn4 Bi44","formula_reduced":"Sr14MnBi11","formula_anonymous":"AB11C14","energy":-390.61907855,"energy_per_atom":-3.7559526783653845,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-390.61907855,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":17.6963959,"is_theoretical":false,"updated_at":"2021-11-28T01:36:30.912000Z","spacegroup":142},{"id":"mp-567788","created_at":"2022-09-04T14:46:25.853820Z","structure_string":"Sr56 Mn4 Sb44\n1.0\n-8.829961 8.829961 11.664632\n8.829961 -8.829961 11.664632\n8.829961 8.829961 -11.664632\nSr Mn Sb\n56 4 44\ndirect\n0.350840 0.687795 0.975232 Sr\n0.937795 0.100840 0.475232 Sr\n0.775448 0.496559 0.366632 Sr\n0.125000 0.519093 0.894093 Sr\n0.625000 0.230907 0.105907 Sr\n0.712563 0.375608 0.024768 Sr\n0.003441 0.724552 0.633368 Sr\n0.850840 0.875608 0.663045 Sr\n0.125608 0.600840 0.163045 Sr\n0.497272 0.144290 0.396244 Sr\n0.894290 0.998047 0.147019 Sr\n0.355710 0.002728 0.603756 Sr\n0.974552 0.753441 0.133368 Sr\n0.037437 0.874392 0.475232 Sr\n0.537437 0.062205 0.163045 Sr\n0.474552 0.341183 0.221111 Sr\n0.398972 0.751953 0.396244 Sr\n0.394290 0.247272 0.896244 Sr\n0.899160 0.374392 0.836955 Sr\n0.351028 0.498047 0.103756 Sr\n0.480907 0.375000 0.605907 Sr\n0.437795 0.962563 0.836955 Sr\n0.629927 0.996559 0.721111 Sr\n0.752728 0.648972 0.147019 Sr\n0.312205 0.287437 0.663045 Sr\n0.124392 0.787437 0.975232 Sr\n0.246559 0.379927 0.221111 Sr\n0.501953 0.605710 0.852981 Sr\n0.812205 0.149160 0.024768 Sr\n0.769093 0.875000 0.394093 Sr\n0.658817 0.879927 0.133368 Sr\n0.158817 0.025448 0.778889 Sr\n0.997272 0.601028 0.352981 Sr\n0.591183 0.224552 0.721111 Sr\n0.851028 0.747272 0.852981 Sr\n0.620073 0.841183 0.866632 Sr\n0.625608 0.462563 0.524768 Sr\n0.269093 0.875000 0.894093 Sr\n0.275448 0.908817 0.278889 Sr\n0.746559 0.525448 0.866632 Sr\n0.898972 0.502728 0.647019 Sr\n0.125000 0.019093 0.394093 Sr\n0.248047 0.644290 0.647019 Sr\n0.748047 0.101028 0.603756 Sr\n0.980907 0.375000 0.105907 Sr\n0.001953 0.148972 0.896244 Sr\n0.212563 0.187795 0.336955 Sr\n0.625000 0.730907 0.605907 Sr\n0.855710 0.251953 0.352981 Sr\n0.120073 0.253441 0.778889 Sr\n0.503441 0.870073 0.278889 Sr\n0.129927 0.408817 0.633368 Sr\n0.624392 0.649160 0.336955 Sr\n0.252728 0.105710 0.103756 Sr\n0.091183 0.370073 0.366632 Sr\n0.399160 0.562205 0.524768 Sr\n0.500000 0.500000 0.000000 Mn\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.897063 0.541223 0.094267 Sb\n0.446737 0.808563 0.631862 Sb\n0.852937 0.708777 0.405733 Sb\n0.691437 0.053263 0.368138 Sb\n0.552796 0.147063 0.855839 Sb\n0.558563 0.426701 0.861826 Sb\n0.882678 0.882678 0.265355 Sb\n0.803043 0.208777 0.855839 Sb\n0.500000 0.000000 0.500000 Sb\n0.676701 0.308563 0.361826 Sb\n0.073299 0.941437 0.138174 Sb\n0.291223 0.696957 0.144161 Sb\n0.573299 0.435125 0.131862 Sb\n0.197204 0.102937 0.644161 Sb\n0.750000 0.750000 0.000000 Sb\n0.117322 0.382678 0.000000 Sb\n0.064875 0.926701 0.868138 Sb\n0.176701 0.814875 0.368138 Sb\n0.803263 0.935125 0.861826 Sb\n0.458777 0.553043 0.355839 Sb\n0.191437 0.823299 0.638174 Sb\n0.946957 0.041223 0.644161 Sb\n0.250000 0.250000 0.000000 Sb\n0.058563 0.196737 0.131862 Sb\n0.132678 0.632678 0.765355 Sb\n0.185125 0.553263 0.361826 Sb\n0.958777 0.602937 0.905733 Sb\n0.564875 0.696737 0.138174 Sb\n0.303043 0.447204 0.594267 Sb\n0.867322 0.367322 0.234645 Sb\n0.617322 0.617322 0.734645 Sb\n0.352937 0.947204 0.144161 Sb\n0.367322 0.132678 0.500000 Sb\n0.397063 0.302796 0.355839 Sb\n0.303263 0.441437 0.868138 Sb\n0.697204 0.053043 0.094267 Sb\n0.446957 0.802796 0.905733 Sb\n0.632678 0.867322 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.382678 0.117322 0.000000 Sb\n0.946737 0.314875 0.638174 Sb\n0.052796 0.196957 0.405733 Sb\n0.685125 0.323299 0.631862 Sb\n0.791223 0.647063 0.594267 Sb\n","nsites":104,"nelements":3,"elements":["Sr","Mn","Sb"],"chemical_system":"Mn-Sb-Sr","density":4.785461952203294,"density_atomic":0.028588063303733077,"volume":3637.8819682555936,"volume_molar":21.065228154904844,"formula_full":"Sr56 Mn4 Sb44","formula_reduced":"Sr14MnSb11","formula_anonymous":"AB11C14","energy":-424.54173495,"energy_per_atom":-4.082132066826923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-416.09373495,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.7928511,"is_theoretical":false,"updated_at":"2021-11-28T01:37:41.544000Z","spacegroup":142},{"id":"mp-1218537","created_at":"2022-09-04T14:47:33.485959Z","structure_string":"Sr5 Ag5 Ge5\n1.0\n2.365738 5.587069 0.000000\n-2.365738 5.587069 0.000000\n0.000000 3.522676 14.535226\nSr Ag Ge\n5 5 5\ndirect\n0.236468 0.236468 0.186785 Sr\n0.762155 0.762155 0.810923 Sr\n0.616539 0.616539 0.580981 Sr\n0.382564 0.382564 0.421338 Sr\n0.000381 0.000381 0.997934 Sr\n0.912257 0.912257 0.591106 Ag\n0.089227 0.089227 0.409466 Ag\n0.526957 0.526957 0.203470 Ag\n0.468283 0.468283 0.804785 Ag\n0.706375 0.706375 0.031844 Ag\n0.299324 0.299324 0.966064 Ge\n0.922573 0.922573 0.259450 Ge\n0.075861 0.075861 0.739632 Ge\n0.698616 0.698616 0.343345 Ge\n0.302418 0.302418 0.652877 Ge\n","nsites":15,"nelements":3,"elements":["Sr","Ag","Ge"],"chemical_system":"Ag-Ge-Sr","density":5.793741699775748,"density_atomic":0.039038110935577124,"volume":384.2399040454042,"volume_molar":15.426311918468786,"formula_full":"Sr5 Ag5 Ge5","formula_reduced":"SrAgGe","formula_anonymous":"ABC","energy":-51.90792813,"energy_per_atom":-3.460528542,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-51.90792813,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.3e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:38:12.546000Z","spacegroup":8},{"id":"mp-720112","created_at":"2022-09-04T14:39:09.734758Z","structure_string":"Sr5 Al10 Si14 O48\n1.0\n7.259466 0.000000 0.000000\n-1.831267 7.565580 0.000000\n-0.148583 -3.663855 19.767125\nSr Al Si O\n5 10 14 48\ndirect\n0.366566 0.508477 0.753270 Sr\n0.694719 0.843041 0.419390 Sr\n0.936356 0.812933 0.915216 Sr\n0.277591 0.177032 0.564174 Sr\n0.594675 0.462632 0.245110 Sr\n0.822273 0.429067 0.394517 Al\n0.609986 0.573489 0.612054 Al\n0.867074 0.390123 0.809560 Al\n0.850251 0.240140 0.940707 Al\n0.064241 0.099153 0.720611 Al\n0.265691 0.026016 0.395662 Al\n0.157140 0.567481 0.608377 Al\n0.376291 0.428999 0.392662 Al\n0.507101 0.896022 0.269579 Al\n0.720279 0.754908 0.060732 Al\n0.509671 0.101024 0.728370 Si\n0.289473 0.250138 0.943062 Si\n0.497234 0.961464 0.860226 Si\n0.409571 0.649481 0.939223 Si\n0.804371 0.278814 0.526336 Si\n0.752189 0.968743 0.603330 Si\n0.952974 0.905071 0.273449 Si\n0.163305 0.768292 0.063103 Si\n0.156035 0.611983 0.190471 Si\n0.063658 0.304754 0.267689 Si\n0.921321 0.703980 0.734363 Si\n0.177894 0.719740 0.476608 Si\n0.598176 0.353093 0.062560 Si\n0.510036 0.043810 0.140421 Si\n0.312434 0.146189 0.705119 O\n0.357324 0.082864 0.895570 O\n0.248277 0.710780 0.987833 O\n0.366994 0.503585 0.627493 O\n0.618129 0.500003 0.373545 O\n0.410610 0.747115 0.870810 O\n0.344344 0.432939 0.907423 O\n0.476381 0.944241 0.777452 O\n0.646228 0.373225 0.564144 O\n0.599420 0.025047 0.658196 O\n0.710864 0.027681 0.892989 O\n0.619298 0.711748 0.975447 O\n0.961024 0.800176 0.041402 O\n0.738341 0.062447 0.535560 O\n0.688734 0.756942 0.571587 O\n0.796820 0.260946 0.444684 O\n0.015094 0.736200 0.224971 O\n0.894279 0.361495 0.312271 O\n0.710952 0.630557 0.695451 O\n0.636562 0.288269 0.770522 O\n0.015764 0.361134 0.562738 O\n0.967320 0.045535 0.636017 O\n0.074367 0.404042 0.200782 O\n0.008458 0.085728 0.239177 O\n0.149134 0.611436 0.108466 O\n0.868604 0.413978 0.896932 O\n0.978513 0.919894 0.761286 O\n0.908783 0.621696 0.804409 O\n0.042020 0.945351 0.350174 O\n0.967031 0.628569 0.440366 O\n0.370516 0.686140 0.224088 O\n0.272056 0.369948 0.307589 O\n0.045371 0.304650 0.766996 O\n0.086210 0.635273 0.689916 O\n0.185014 0.728795 0.558048 O\n0.312573 0.251094 0.435117 O\n0.230851 0.932083 0.469885 O\n0.064720 0.169976 0.947072 O\n0.395408 0.301817 0.017425 O\n0.298461 0.954063 0.103368 O\n0.449093 0.951713 0.352538 O\n0.341949 0.631390 0.439059 O\n0.508867 0.066573 0.222421 O\n0.651072 0.563902 0.096917 O\n0.559028 0.255995 0.130044 O\n0.660279 0.937754 0.107803 O\n0.755981 0.280692 0.018879 O\n0.723582 0.828700 0.279318 O\n","nsites":77,"nelements":4,"elements":["Sr","Al","Si","O"],"chemical_system":"Al-O-Si-Sr","density":2.8588239315061843,"density_atomic":0.07092515818467539,"volume":1085.6514383726421,"volume_molar":8.490838672956514,"formula_full":"Sr5 Al10 Si14 O48","formula_reduced":"Sr5Al10(Si7O24)2","formula_anonymous":"A5B10C14D48","energy":-620.22485022,"energy_per_atom":-8.054868184675325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-587.24885022,"band_gap":4.3055,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029475,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.894000Z","spacegroup":1},{"id":"mp-686718","created_at":"2022-09-04T14:39:37.290915Z","structure_string":"Sr5 Al11 Tl1 Si13 O48\n1.0\n12.323237 0.000000 0.000000\n-0.138624 12.417919 0.000000\n-0.028531 -0.126694 12.502095\nSr Al Tl Si O\n5 11 1 13 48\ndirect\n0.218132 0.769290 0.777000 Sr\n0.208436 0.208826 0.227309 Sr\n0.796276 0.203013 0.235587 Sr\n0.205888 0.794567 0.237441 Sr\n0.853050 0.860629 0.130642 Sr\n0.994923 0.618050 0.810100 Al\n0.186908 0.013387 0.390648 Al\n0.001620 0.190855 0.393510 Al\n0.992585 0.814992 0.380272 Al\n0.810331 0.987441 0.379696 Al\n0.624497 0.008346 0.172922 Al\n0.996625 0.365671 0.173596 Al\n0.001012 0.626579 0.177860 Al\n0.364154 0.002973 0.174406 Al\n0.810757 0.625965 0.000966 Al\n0.369467 0.815973 0.998493 Al\n0.756700 0.681788 0.316047 Tl\n0.184681 0.370800 0.992506 Si\n0.624722 0.189259 0.987999 Si\n0.622958 0.000284 0.812223 Si\n0.996103 0.370805 0.814953 Si\n0.371391 0.002642 0.814928 Si\n0.183528 0.006169 0.629281 Si\n0.993572 0.182350 0.635290 Si\n0.995662 0.818742 0.633842 Si\n0.813971 0.991893 0.633846 Si\n0.371212 0.189250 0.989540 Si\n0.810925 0.370843 0.994308 Si\n0.187113 0.619925 0.990378 Si\n0.626306 0.820263 0.992276 Si\n0.292119 0.293924 0.983342 O\n0.228787 0.495473 0.006311 O\n0.704122 0.292496 0.976208 O\n0.288850 0.702029 0.970550 O\n0.503453 0.781292 0.005988 O\n0.710548 0.723343 0.994437 O\n0.353398 0.112906 0.883514 O\n0.108071 0.359033 0.887765 O\n0.640210 0.109040 0.884972 O\n0.123830 0.631331 0.876561 O\n0.890849 0.353352 0.892229 O\n0.342832 0.893299 0.881530 O\n0.900630 0.654030 0.901389 O\n0.642209 0.894414 0.884587 O\n0.495700 0.999279 0.767826 O\n0.992552 0.486456 0.757709 O\n0.278671 0.996636 0.721529 O\n0.997273 0.269101 0.732557 O\n0.709388 0.000062 0.714726 O\n0.024565 0.721819 0.715596 O\n0.106344 0.110192 0.646494 O\n0.889017 0.100433 0.651768 O\n0.110254 0.893816 0.651543 O\n0.890128 0.888970 0.669655 O\n0.985868 0.243342 0.522549 O\n0.769666 0.974957 0.512918 O\n0.982558 0.775312 0.512928 O\n0.245091 0.998079 0.517350 O\n0.131898 0.140969 0.383349 O\n0.898358 0.097241 0.364991 O\n0.101375 0.903392 0.362589 O\n0.863920 0.860886 0.332389 O\n0.269648 0.015771 0.276779 O\n0.726582 0.017575 0.269419 O\n0.994000 0.270430 0.276001 O\n0.025781 0.720064 0.281277 O\n0.495276 0.000525 0.215947 O\n0.999275 0.495895 0.215921 O\n0.336588 0.123533 0.097219 O\n0.657830 0.128771 0.099127 O\n0.119967 0.333455 0.101181 O\n0.875330 0.327040 0.101848 O\n0.119018 0.660500 0.096135 O\n0.872620 0.670366 0.127815 O\n0.319517 0.882556 0.110385 O\n0.667539 0.897616 0.093935 O\n0.497890 0.229900 0.993195 O\n0.769501 0.491926 0.011703 O\n","nsites":78,"nelements":5,"elements":["Sr","Al","Tl","Si","O"],"chemical_system":"Al-O-Si-Sr-Tl","density":1.7986989999587204,"density_atomic":0.04076976277403844,"volume":1913.1825817163992,"volume_molar":14.771095905995333,"formula_full":"Sr5 Al11 Tl1 Si13 O48","formula_reduced":"Sr5Al11TlSi13O48","formula_anonymous":"AB5C11D13E48","energy":-612.80300605,"energy_per_atom":-7.85644879551282,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-579.82700605,"band_gap":2.958,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.1e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.357000Z","spacegroup":1},{"id":"mp-1249531","created_at":"2022-09-04T14:39:39.781544Z","structure_string":"Sr5 Al11 Tl1 Si13 O48\n1.0\n12.510727 0.108752 0.035629\n0.109804 12.368324 -0.017367\n0.036299 -0.016835 12.378641\nSr Al Tl Si O\n5 11 1 13 48\ndirect\n0.220676 0.769881 0.211968 Sr\n0.772887 0.211699 0.208346 Sr\n0.761325 0.204181 0.794941 Sr\n0.768827 0.802729 0.211592 Sr\n0.851147 0.853563 0.825095 Sr\n0.191426 0.616181 0.991881 Al\n0.613561 0.014186 0.183850 Al\n0.605312 0.192672 0.999907 Al\n0.620914 0.815363 0.997718 Al\n0.620705 0.986232 0.812761 Al\n0.826637 0.019018 0.620882 Al\n0.828533 0.364213 0.991706 Al\n0.825941 0.630455 0.014243 Al\n0.826051 0.006560 0.367041 Al\n0.996723 0.629959 0.814321 Al\n0.008268 0.814223 0.374960 Al\n0.665773 0.589633 0.847921 Tl\n0.007895 0.369292 0.179990 Si\n0.010662 0.192471 0.622676 Si\n0.188817 0.999100 0.622049 Si\n0.184166 0.370766 0.992175 Si\n0.188117 0.002803 0.370854 Si\n0.368905 0.005516 0.178698 Si\n0.363374 0.181619 0.989234 Si\n0.363313 0.820178 0.993978 Si\n0.367176 0.992291 0.810427 Si\n0.010764 0.189548 0.369115 Si\n0.004146 0.374880 0.805821 Si\n0.011079 0.620613 0.190007 Si\n0.012946 0.824639 0.626415 Si\n0.016214 0.294239 0.288740 O\n0.991179 0.494082 0.223362 O\n0.028316 0.297042 0.699699 O\n0.034282 0.699590 0.292576 O\n0.002222 0.774729 0.507472 O\n0.989323 0.735432 0.718217 O\n0.112912 0.108788 0.347276 O\n0.112546 0.356604 0.104466 O\n0.105282 0.101413 0.641525 O\n0.119804 0.632113 0.118965 O\n0.103913 0.361963 0.888773 O\n0.126495 0.889378 0.347193 O\n0.108229 0.647459 0.889553 O\n0.129283 0.884335 0.640027 O\n0.232165 0.005797 0.495188 O\n0.244936 0.484326 0.994144 O\n0.282978 0.000234 0.279859 O\n0.263789 0.266728 0.988020 O\n0.287394 0.004419 0.705785 O\n0.284998 0.719880 0.021184 O\n0.352498 0.111150 0.103046 O\n0.348607 0.099029 0.887038 O\n0.335788 0.896895 0.105482 O\n0.330555 0.887531 0.885157 O\n0.475357 0.243882 0.983174 O\n0.488681 0.978464 0.767976 O\n0.486349 0.781436 0.994692 O\n0.484581 0.989442 0.231447 O\n0.618835 0.144349 0.131333 O\n0.634850 0.100172 0.896362 O\n0.651575 0.905808 0.100638 O\n0.664262 0.861684 0.870923 O\n0.725630 0.015283 0.269586 O\n0.734300 0.013483 0.728381 O\n0.720128 0.276702 0.989107 O\n0.706509 0.705818 0.035523 O\n0.776483 0.012919 0.494845 O\n0.788538 0.497826 0.995365 O\n0.900548 0.127975 0.337918 O\n0.892791 0.144333 0.652684 O\n0.900610 0.331093 0.113844 O\n0.897552 0.326167 0.869563 O\n0.901966 0.666105 0.130182 O\n0.878067 0.672857 0.889689 O\n0.896220 0.886131 0.329543 O\n0.921163 0.917815 0.654013 O\n0.011804 0.230175 0.494902 O\n0.979826 0.496861 0.767393 O\n","nsites":78,"nelements":5,"elements":["Sr","Al","Tl","Si","O"],"chemical_system":"Al-O-Si-Sr-Tl","density":1.796745420456575,"density_atomic":0.04072548245094685,"volume":1915.2627619316647,"volume_molar":14.787156339408787,"formula_full":"Sr5 Al11 Tl1 Si13 O48","formula_reduced":"Sr5Al11TlSi13O48","formula_anonymous":"AB5C11D13E48","energy":-613.42308964,"energy_per_atom":-7.864398585128204,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-580.44708964,"band_gap":3.1064,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.485000Z","spacegroup":1},{"id":"mp-1109","created_at":"2022-09-04T14:41:01.482132Z","structure_string":"Sr5 Al9\n1.0\n12.030798 -2.933102 0.000000\n12.030798 2.933102 0.000000\n11.315710 0.000000 5.029704\nSr Al\n5 9\ndirect\n0.500000 0.500000 0.500000 Sr\n0.216803 0.216803 0.216803 Sr\n0.783197 0.783197 0.783197 Sr\n0.316858 0.316858 0.316858 Sr\n0.683142 0.683142 0.683142 Sr\n0.000000 0.000000 0.000000 Al\n0.124279 0.124279 0.124279 Al\n0.875721 0.875721 0.875721 Al\n0.724578 0.236379 0.236379 Al\n0.236379 0.236379 0.724578 Al\n0.236379 0.724578 0.236379 Al\n0.763621 0.275422 0.763621 Al\n0.275422 0.763621 0.763621 Al\n0.763621 0.763621 0.275422 Al\n","nsites":14,"nelements":2,"elements":["Sr","Al"],"chemical_system":"Al-Sr","density":3.1853708082970367,"density_atomic":0.039439737126194786,"volume":354.9719399803399,"volume_molar":15.269221345799133,"formula_full":"Sr5 Al9","formula_reduced":"Sr5Al9","formula_anonymous":"A5B9","energy":-45.89184968,"energy_per_atom":-3.277989262857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.89184968,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0316248,"is_theoretical":false,"updated_at":"2021-11-28T01:34:58.222000Z","spacegroup":166},{"id":"mp-28796","created_at":"2022-09-04T14:45:15.354709Z","structure_string":"Sr5 Au2 O8\n1.0\n-4.209950 4.209950 3.305833\n4.209950 -4.209950 3.305833\n4.209950 4.209950 -3.305833\nSr Au O\n5 2 8\ndirect\n0.278584 0.278584 0.557168 Sr\n0.721416 0.721416 0.442832 Sr\n0.721416 0.278584 0.000000 Sr\n0.278584 0.721416 0.000000 Sr\n0.000000 0.000000 0.000000 Sr\n0.250000 0.750000 0.500000 Au\n0.750000 0.250000 0.500000 Au\n0.505017 0.760448 0.744570 O\n0.015878 0.760448 0.255430 O\n0.239552 0.494983 0.255430 O\n0.239552 0.984122 0.744570 O\n0.760448 0.505017 0.744570 O\n0.760448 0.015878 0.255430 O\n0.494983 0.239552 0.255430 O\n0.984122 0.239552 0.744570 O\n","nsites":15,"nelements":3,"elements":["Sr","Au","O"],"chemical_system":"Au-O-Sr","density":6.802027326779624,"density_atomic":0.06400243264911196,"volume":234.36609171148632,"volume_molar":9.409237291050932,"formula_full":"Sr5 Au2 O8","formula_reduced":"Sr5(AuO4)2","formula_anonymous":"A2B5C8","energy":-89.74626891999999,"energy_per_atom":-5.983084594666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.25026892,"band_gap":1.3224,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0023,"is_theoretical":true,"updated_at":"2021-11-28T01:36:59.383000Z","spacegroup":139}]}