{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=56","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy&page=54","results":[{"id":"mp-1076193","created_at":"2022-09-04T14:46:52.830948Z","structure_string":"Ba4 Sr28 Ti28 Mn4 O80\n1.0\n0.002846 0.001917 11.332359\n11.392364 -0.000270 0.002989\n-5.697423 15.946056 -5.665633\nBa Sr Ti Mn O\n4 28 28 4 80\ndirect\n0.311052 0.060926 0.124134 Ba\n0.310939 0.564047 0.122741 Ba\n0.811387 0.063672 0.124251 Ba\n0.060954 0.809647 0.122930 Ba\n0.302540 0.058638 0.604895 Sr\n0.304409 0.561402 0.608948 Sr\n0.801721 0.059049 0.605728 Sr\n0.807600 0.558560 0.114294 Sr\n0.802181 0.566354 0.606734 Sr\n0.194449 0.440952 0.385432 Sr\n0.196228 0.438959 0.889818 Sr\n0.191346 0.936774 0.380385 Sr\n0.200635 0.938325 0.894473 Sr\n0.690727 0.439676 0.382697 Sr\n0.689924 0.435745 0.888380 Sr\n0.688898 0.938330 0.378795 Sr\n0.696131 0.942976 0.895676 Sr\n0.058747 0.308744 0.116775 Sr\n0.056535 0.298063 0.609618 Sr\n0.057225 0.793237 0.605677 Sr\n0.559347 0.307537 0.116343 Sr\n0.550820 0.294920 0.608954 Sr\n0.559625 0.803011 0.116156 Sr\n0.551323 0.795204 0.603427 Sr\n0.439508 0.190412 0.383401 Sr\n0.447270 0.202450 0.892507 Sr\n0.441212 0.693649 0.381235 Sr\n0.444864 0.701660 0.889411 Sr\n0.944407 0.196997 0.383575 Sr\n0.945072 0.201123 0.891547 Sr\n0.943283 0.693603 0.384292 Sr\n0.945596 0.708798 0.892685 Sr\n0.001727 0.004566 0.002253 Ti\n0.997634 0.995979 0.494282 Ti\n0.001134 0.500644 0.002585 Ti\n0.001511 0.500098 0.501817 Ti\n0.500352 0.000426 0.999553 Ti\n0.499701 0.996261 0.496201 Ti\n0.499995 0.498699 0.996429 Ti\n0.502304 0.498497 0.500877 Ti\n0.252994 0.251449 0.003715 Ti\n0.251477 0.251110 0.501290 Ti\n0.250228 0.748513 0.997772 Ti\n0.250991 0.749706 0.498520 Ti\n0.752752 0.251888 0.002909 Ti\n0.749489 0.248844 0.495209 Ti\n0.748517 0.747362 0.996444 Ti\n0.749897 0.750365 0.494896 Ti\n0.122185 0.115428 0.253961 Ti\n0.109089 0.084493 0.749205 Ti\n0.119584 0.610693 0.252000 Ti\n0.625277 0.111122 0.251430 Ti\n0.600817 0.089589 0.748979 Ti\n0.620320 0.613800 0.250029 Ti\n0.373138 0.389106 0.252769 Ti\n0.374979 0.887330 0.252339 Ti\n0.867615 0.395120 0.252430 Ti\n0.852709 0.412684 0.748734 Ti\n0.871847 0.881970 0.250563 Ti\n0.849586 0.909724 0.749158 Ti\n0.110549 0.592742 0.749621 Mn\n0.604825 0.603874 0.748559 Mn\n0.355571 0.404987 0.748865 Mn\n0.364617 0.901800 0.749127 Mn\n0.120844 0.120289 0.490777 O\n0.121455 0.123198 0.992154 O\n0.121997 0.621570 0.492154 O\n0.120694 0.620930 0.991373 O\n0.623395 0.123766 0.495377 O\n0.622954 0.125822 0.997749 O\n0.621083 0.620120 0.488540 O\n0.623709 0.621957 0.994082 O\n0.123166 0.372457 0.000629 O\n0.128054 0.377431 0.505336 O\n0.125873 0.876920 0.001266 O\n0.128236 0.877036 0.505555 O\n0.629152 0.377721 0.005683 O\n0.631072 0.377813 0.508026 O\n0.627423 0.876472 0.007068 O\n0.628837 0.877345 0.504161 O\n0.371547 0.119288 0.490942 O\n0.372223 0.122132 0.993039 O\n0.371781 0.619026 0.489941 O\n0.375208 0.622623 0.994895 O\n0.873219 0.121557 0.495325 O\n0.874076 0.125968 0.995298 O\n0.873271 0.623042 0.494950 O\n0.869712 0.617332 0.989545 O\n0.379800 0.376268 0.004241 O\n0.380787 0.378800 0.506969 O\n0.380464 0.878708 0.005584 O\n0.376758 0.875505 0.502884 O\n0.873842 0.375042 0.998725 O\n0.879697 0.379984 0.507890 O\n0.876874 0.878622 0.004143 O\n0.882132 0.880908 0.510848 O\n0.065626 0.082768 0.131807 O\n0.084127 0.092446 0.643115 O\n0.056763 0.565318 0.126909 O\n0.069224 0.584359 0.627368 O\n0.563980 0.083017 0.132254 O\n0.569416 0.075618 0.633659 O\n0.571997 0.577644 0.131081 O\n0.572680 0.585744 0.625195 O\n0.434989 0.411780 0.370729 O\n0.445997 0.419122 0.873527 O\n0.438408 0.919273 0.372783 O\n0.444212 0.921705 0.872072 O\n0.935251 0.423716 0.371582 O\n0.936021 0.399421 0.852669 O\n0.930781 0.915983 0.372360 O\n0.928643 0.922700 0.863331 O\n0.313851 0.306805 0.129732 O\n0.320431 0.291981 0.624738 O\n0.317960 0.808843 0.129890 O\n0.320267 0.796026 0.626797 O\n0.818711 0.312335 0.129608 O\n0.831910 0.295713 0.644257 O\n0.813996 0.795944 0.130220 O\n0.813851 0.804773 0.635856 O\n0.187051 0.208412 0.372118 O\n0.188018 0.197741 0.855903 O\n0.183119 0.699020 0.371306 O\n0.192938 0.705882 0.871395 O\n0.690961 0.203156 0.372765 O\n0.681962 0.189288 0.864526 O\n0.694656 0.704184 0.371315 O\n0.691680 0.707355 0.872540 O\n0.497975 0.012614 0.259865 O\n0.435864 0.075452 0.748303 O\n0.490114 0.514348 0.258110 O\n0.426547 0.572526 0.748603 O\n0.996824 0.005945 0.258221 O\n0.945454 0.053057 0.748238 O\n0.973353 0.526035 0.252066 O\n0.921065 0.559835 0.749374 O\n0.231285 0.486706 0.252738 O\n0.174539 0.425165 0.749494 O\n0.247525 0.001141 0.257413 O\n0.179286 0.939123 0.749706 O\n0.722025 0.468494 0.251695 O\n0.692052 0.437499 0.748497 O\n0.739573 0.989485 0.251409 O\n0.680338 0.936538 0.749275 O\n","nsites":144,"nelements":5,"elements":["Ba","Sr","Ti","Mn","O"],"chemical_system":"Ba-Mn-O-Sr-Ti","density":4.7124741570007584,"density_atomic":0.06994435031004131,"volume":2058.7795777885317,"volume_molar":8.609903063372158,"formula_full":"Ba4 Sr28 Ti28 Mn4 O80","formula_reduced":"BaSr7Ti7MnO20","formula_anonymous":"ABC7D7E20","energy":-1171.34718278,"energy_per_atom":-8.134355435972221,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1109.71518278,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.5363019,"is_theoretical":true,"updated_at":"2021-11-28T01:37:42.952000Z","spacegroup":1},{"id":"mp-1076202","created_at":"2022-09-04T14:43:59.307307Z","structure_string":"Sr28 Ca4 Ti20 Mn12 O80\n1.0\n0.014215 -0.019023 11.201335\n11.426018 0.008732 0.014584\n-5.708113 15.937032 -5.633916\nSr Ca Ti Mn O\n28 4 20 12 80\ndirect\n0.308021 0.059203 0.610414 Sr\n0.314294 0.558648 0.611681 Sr\n0.807800 0.062295 0.608804 Sr\n0.806638 0.564860 0.107930 Sr\n0.804619 0.557973 0.611336 Sr\n0.199828 0.433398 0.390560 Sr\n0.201410 0.440054 0.890830 Sr\n0.198524 0.936981 0.389572 Sr\n0.202185 0.939317 0.892637 Sr\n0.697587 0.436534 0.393432 Sr\n0.695963 0.443530 0.889627 Sr\n0.695837 0.937223 0.387344 Sr\n0.695528 0.936173 0.890630 Sr\n0.059232 0.293481 0.108820 Sr\n0.053757 0.296087 0.610327 Sr\n0.058124 0.804868 0.612118 Sr\n0.555539 0.291106 0.106930 Sr\n0.562329 0.297869 0.608819 Sr\n0.558357 0.799732 0.113156 Sr\n0.560827 0.798788 0.610316 Sr\n0.444370 0.199697 0.384768 Sr\n0.444487 0.198702 0.890222 Sr\n0.446156 0.702975 0.388092 Sr\n0.448911 0.704361 0.893092 Sr\n0.943988 0.200537 0.387291 Sr\n0.952212 0.196531 0.889951 Sr\n0.948067 0.706730 0.391323 Sr\n0.948926 0.701326 0.890908 Sr\n0.302812 0.066988 0.108345 Ca\n0.303531 0.565850 0.104087 Ca\n0.797905 0.065088 0.104453 Ca\n0.053855 0.786146 0.104198 Ca\n0.004339 0.996203 0.998247 Ti\n0.003257 0.000326 0.497592 Ti\n0.002437 0.493791 0.992568 Ti\n0.008115 0.505187 0.506618 Ti\n0.506291 0.001243 0.004575 Ti\n0.503277 0.999911 0.497573 Ti\n0.503602 0.497831 0.997702 Ti\n0.503853 0.499743 0.498284 Ti\n0.257052 0.252748 0.003908 Ti\n0.259635 0.252237 0.509394 Ti\n0.257139 0.754089 0.005987 Ti\n0.260054 0.752263 0.509608 Ti\n0.752332 0.248449 0.994345 Ti\n0.751930 0.247279 0.497012 Ti\n0.758478 0.754970 0.005099 Ti\n0.757624 0.751699 0.506150 Ti\n0.099507 0.080778 0.242207 Ti\n0.110616 0.588974 0.248669 Ti\n0.604434 0.585517 0.246577 Ti\n0.852228 0.410468 0.249132 Ti\n0.112165 0.096135 0.751041 Mn\n0.113005 0.596461 0.753166 Mn\n0.604468 0.094744 0.247606 Mn\n0.611092 0.093681 0.748857 Mn\n0.612936 0.596605 0.751695 Mn\n0.365049 0.399532 0.247553 Mn\n0.361172 0.408666 0.752647 Mn\n0.355320 0.905855 0.245789 Mn\n0.363270 0.907343 0.754155 Mn\n0.860701 0.404694 0.748520 Mn\n0.860442 0.902913 0.247718 Mn\n0.861288 0.906845 0.751335 Mn\n0.125788 0.123272 0.489417 O\n0.127199 0.122360 0.996429 O\n0.123727 0.619642 0.486232 O\n0.126554 0.622120 0.997687 O\n0.623718 0.121066 0.489681 O\n0.630467 0.125626 0.994809 O\n0.625599 0.622484 0.490911 O\n0.627511 0.623977 0.996212 O\n0.139355 0.386665 0.017958 O\n0.130067 0.373622 0.500933 O\n0.136783 0.882365 0.018576 O\n0.133488 0.872730 0.504101 O\n0.636271 0.378631 0.011512 O\n0.631528 0.377784 0.506043 O\n0.639903 0.880816 0.013269 O\n0.631701 0.873010 0.502834 O\n0.370737 0.120621 0.488372 O\n0.377402 0.121231 0.995208 O\n0.371273 0.619330 0.487492 O\n0.378117 0.619460 0.996734 O\n0.875115 0.117982 0.489263 O\n0.878391 0.121604 0.000149 O\n0.873974 0.618661 0.487623 O\n0.882470 0.619623 0.996600 O\n0.386656 0.386788 0.015387 O\n0.378769 0.375833 0.503276 O\n0.385192 0.885895 0.015699 O\n0.379638 0.875295 0.504493 O\n0.889135 0.384044 0.015493 O\n0.883769 0.381452 0.504863 O\n0.891604 0.887579 0.018693 O\n0.880753 0.876603 0.503614 O\n0.096839 0.101588 0.144141 O\n0.074567 0.078034 0.623743 O\n0.090527 0.609684 0.147938 O\n0.075677 0.582940 0.624236 O\n0.586136 0.085914 0.127167 O\n0.569740 0.078515 0.622217 O\n0.589175 0.592018 0.141173 O\n0.568195 0.581679 0.624405 O\n0.444955 0.418817 0.370383 O\n0.448030 0.416702 0.877078 O\n0.438686 0.918556 0.370383 O\n0.450839 0.918960 0.878512 O\n0.934325 0.408561 0.357471 O\n0.949333 0.414885 0.876056 O\n0.950246 0.917957 0.371212 O\n0.948959 0.919442 0.878530 O\n0.325582 0.284491 0.128851 O\n0.323148 0.295086 0.626296 O\n0.324424 0.781125 0.128935 O\n0.322739 0.791465 0.626445 O\n0.826969 0.293456 0.143234 O\n0.823486 0.293374 0.623612 O\n0.833311 0.789007 0.128363 O\n0.824344 0.791885 0.625403 O\n0.185694 0.195289 0.345766 O\n0.195931 0.210510 0.878474 O\n0.190307 0.704816 0.351695 O\n0.197668 0.708993 0.879685 O\n0.694198 0.207018 0.372328 O\n0.703441 0.209574 0.876291 O\n0.684784 0.697322 0.353958 O\n0.704951 0.707637 0.878717 O\n0.415454 0.072076 0.239791 O\n0.428828 0.073935 0.750897 O\n0.434566 0.568708 0.240145 O\n0.429266 0.575725 0.753131 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0.407079 Mo\n0.003165 0.646942 0.844448 Mo\n0.300113 0.566421 0.074440 Mo\n0.081570 0.382391 0.910352 Mo\n0.918430 0.617609 0.089648 Mo\n0.216423 0.828054 0.009324 Mo\n0.516600 0.750258 0.238476 Mo\n0.695046 0.729549 0.625474 Mo\n0.217283 0.540243 0.318892 Mo\n0.843071 0.885135 0.030881 Mo\n0.601995 0.489726 0.302580 Mo\n0.626770 0.007219 0.566764 Mo\n0.062990 0.073480 0.201216 Mo\n0.341069 0.621485 0.493581 Mo\n0.270845 0.069727 0.592921 Mo\n0.862417 0.193575 0.740197 Mo\n0.782717 0.459757 0.681108 Mo\n0.568214 0.986676 0.822885 Mo\n0.304954 0.270451 0.374526 Mo\n0.483400 0.249742 0.761524 Mo\n0.658931 0.378515 0.506419 Mo\n0.826962 0.673810 0.465787 Mo\n0.156929 0.114865 0.969119 Mo\n0.699887 0.433579 0.925560 Mo\n0.173038 0.326190 0.534213 Mo\n0.355147 0.803058 0.651460 Mo\n0.327398 0.427443 0.348588 O\n0.874145 0.042090 0.003230 O\n0.344180 0.142848 0.168558 O\n0.483714 0.603167 0.038173 O\n0.047230 0.224517 0.940434 O\n0.186928 0.685562 0.807851 O\n0.652484 0.350580 0.592605 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O\n0.938655 0.092533 0.691367 O\n0.938655 0.846123 0.191367 O\n0.061345 0.907467 0.308633 O\n0.092533 0.938655 0.808633 O\n0.907467 0.846123 0.691367 O\n0.907467 0.061345 0.191367 O\n0.092533 0.153877 0.308633 O\n0.153877 0.061345 0.691367 O\n0.846123 0.938655 0.308633 O\n0.403927 0.580277 0.968399 O\n0.596073 0.419723 0.031601 O\n0.176350 0.596073 0.968399 O\n0.823650 0.419723 0.531601 O\n0.823650 0.403927 0.031601 O\n0.176350 0.580277 0.468399 O\n0.419723 0.823650 0.968399 O\n0.580277 0.403927 0.531601 O\n0.580277 0.176350 0.031601 O\n0.419723 0.596073 0.468399 O\n0.596073 0.176350 0.531601 O\n0.403927 0.823650 0.468399 O\n0.487436 0.728545 0.829565 O\n0.512564 0.271455 0.170435 O\n0.241109 0.512564 0.829565 O\n0.758891 0.271455 0.670435 O\n0.758891 0.487436 0.170435 O\n0.241109 0.728545 0.329565 O\n0.271455 0.758891 0.829565 O\n0.728545 0.487436 0.670435 O\n0.728545 0.241109 0.170435 O\n0.271455 0.512564 0.329565 O\n0.512564 0.241109 0.670435 O\n0.487436 0.758891 0.329565 O\n","nsites":174,"nelements":4,"elements":["Na","Sr","Ge","O"],"chemical_system":"Ge-Na-O-Sr","density":4.375271811301529,"density_atomic":0.07620424052332692,"volume":2283.3374993972516,"volume_molar":7.9026320827337155,"formula_full":"Na12 Sr6 Ge48 O108","formula_reduced":"Na2Sr(Ge4O9)2","formula_anonymous":"AB2C8D18","energy":-1170.35629939,"energy_per_atom":-6.726185628678161,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1096.16029939,"band_gap":2.9601,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":9e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:37:40.341000Z","spacegroup":165},{"id":"mp-1076186","created_at":"2022-09-04T14:47:24.253006Z","structure_string":"Ba12 Sr20 Ti28 Mn4 O80\n1.0\n0.003386 -0.004630 11.418504\n11.459440 -0.009003 0.003643\n-5.743576 16.009182 -5.717528\nBa Sr Ti Mn O\n12 20 28 4 80\ndirect\n0.309496 0.060915 0.122084 Ba\n0.310327 0.563540 0.122650 Ba\n0.808057 0.061914 0.123660 Ba\n0.805514 0.561324 0.120147 Ba\n0.188697 0.937413 0.379328 Ba\n0.192128 0.936242 0.884797 Ba\n0.687291 0.433947 0.880092 Ba\n0.058928 0.310927 0.123375 Ba\n0.058824 0.810356 0.121255 Ba\n0.559107 0.309285 0.122816 Ba\n0.558707 0.809036 0.120972 Ba\n0.938951 0.699389 0.883531 Ba\n0.303438 0.060131 0.604525 Sr\n0.306171 0.561349 0.608815 Sr\n0.802603 0.056168 0.605461 Sr\n0.800377 0.567735 0.605465 Sr\n0.194615 0.443167 0.386952 Sr\n0.192887 0.438361 0.888261 Sr\n0.691325 0.437551 0.384500 Sr\n0.690999 0.942194 0.383506 Sr\n0.695356 0.945119 0.894618 Sr\n0.053445 0.298686 0.608107 Sr\n0.056460 0.791555 0.604615 Sr\n0.551654 0.293847 0.607759 Sr\n0.550626 0.795135 0.602234 Sr\n0.440162 0.193117 0.383951 Sr\n0.443751 0.198826 0.892338 Sr\n0.439676 0.694811 0.382987 Sr\n0.445274 0.699841 0.889301 Sr\n0.944767 0.196120 0.386232 Sr\n0.946686 0.200327 0.892442 Sr\n0.942070 0.692335 0.385091 Sr\n0.998800 0.004068 0.002920 Ti\n0.998252 0.997880 0.497539 Ti\n0.002771 0.502048 0.006943 Ti\n0.002871 0.499459 0.502132 Ti\n0.499052 0.998700 0.998263 Ti\n0.501116 0.996883 0.496521 Ti\n0.494168 0.495671 0.993251 Ti\n0.501801 0.499341 0.501408 Ti\n0.251708 0.253504 0.005659 Ti\n0.252551 0.253484 0.502890 Ti\n0.248556 0.746496 0.997011 Ti\n0.251773 0.749942 0.500385 Ti\n0.749752 0.248801 0.001105 Ti\n0.749661 0.248569 0.496304 Ti\n0.746180 0.749512 0.996487 Ti\n0.749678 0.751452 0.496304 Ti\n0.123707 0.116268 0.254526 Ti\n0.106951 0.088605 0.744454 Ti\n0.125327 0.609653 0.254966 Ti\n0.619415 0.113265 0.253966 Ti\n0.601697 0.089275 0.747857 Ti\n0.621588 0.613086 0.254377 Ti\n0.377876 0.389517 0.256151 Ti\n0.370483 0.890510 0.252406 Ti\n0.870962 0.394047 0.255252 Ti\n0.857089 0.405722 0.740480 Ti\n0.872062 0.892451 0.253966 Ti\n0.846956 0.909768 0.747961 Ti\n0.118741 0.587059 0.746680 Mn\n0.601985 0.606722 0.746153 Mn\n0.354414 0.402130 0.747292 Mn\n0.369434 0.902495 0.746645 Mn\n0.121117 0.125064 0.494314 O\n0.120237 0.125596 0.994856 O\n0.122272 0.621667 0.491864 O\n0.121574 0.619589 0.994571 O\n0.624842 0.123021 0.495211 O\n0.621396 0.121998 0.996538 O\n0.621752 0.620752 0.488970 O\n0.619753 0.623639 0.995067 O\n0.122785 0.373537 0.999233 O\n0.130346 0.377906 0.506514 O\n0.123739 0.874800 0.001263 O\n0.129946 0.878253 0.510030 O\n0.623330 0.372543 0.001052 O\n0.632705 0.379198 0.511080 O\n0.625547 0.876210 0.003123 O\n0.628701 0.877707 0.504378 O\n0.375855 0.121587 0.493293 O\n0.371192 0.122882 0.993933 O\n0.371261 0.618146 0.488755 O\n0.372221 0.620085 0.995175 O\n0.871412 0.120089 0.492383 O\n0.871488 0.124355 0.997526 O\n0.873648 0.622701 0.494275 O\n0.871981 0.620898 0.994843 O\n0.373991 0.375284 0.001168 O\n0.381472 0.379981 0.507468 O\n0.376908 0.875409 0.001938 O\n0.378803 0.875748 0.504376 O\n0.874770 0.372937 0.998229 O\n0.880111 0.380671 0.509275 O\n0.872498 0.879410 0.003390 O\n0.881386 0.880198 0.509936 O\n0.063189 0.074343 0.132047 O\n0.072194 0.096802 0.638082 O\n0.062125 0.566169 0.129857 O\n0.076648 0.585460 0.626643 O\n0.564381 0.071684 0.132440 O\n0.572994 0.076144 0.633663 O\n0.566416 0.574728 0.135004 O\n0.568447 0.589503 0.623734 O\n0.437624 0.413590 0.373389 O\n0.437543 0.420318 0.873411 O\n0.441173 0.920289 0.372584 O\n0.442451 0.922590 0.869490 O\n0.937705 0.416767 0.373395 O\n0.933375 0.393891 0.845215 O\n0.932614 0.914824 0.373165 O\n0.922374 0.933038 0.863932 O\n0.312906 0.310629 0.130732 O\n0.324084 0.291631 0.624339 O\n0.315632 0.809922 0.130788 O\n0.326520 0.791918 0.626316 O\n0.814165 0.311159 0.132753 O\n0.832478 0.283710 0.639083 O\n0.815194 0.809213 0.133333 O\n0.813367 0.805743 0.634348 O\n0.188221 0.208314 0.372954 O\n0.184612 0.196502 0.852698 O\n0.182957 0.697941 0.373411 O\n0.193153 0.692763 0.870997 O\n0.688583 0.204997 0.374963 O\n0.684473 0.178730 0.864908 O\n0.690475 0.710657 0.372487 O\n0.685934 0.702886 0.872409 O\n0.493655 0.016759 0.260324 O\n0.439391 0.075543 0.746922 O\n0.492828 0.513905 0.261138 O\n0.428510 0.567647 0.748095 O\n0.993904 0.013658 0.259756 O\n0.948440 0.046653 0.746856 O\n0.985690 0.518473 0.257888 O\n0.933480 0.542050 0.736318 O\n0.240050 0.490898 0.259018 O\n0.176646 0.419407 0.747201 O\n0.248101 0.003666 0.255739 O\n0.187610 0.949630 0.737898 O\n0.740584 0.494466 0.261933 O\n0.701374 0.448644 0.737545 O\n0.742957 0.997271 0.260245 O\n0.679984 0.935567 0.746402 O\n","nsites":144,"nelements":5,"elements":["Ba","Sr","Ti","Mn","O"],"chemical_system":"Ba-Mn-O-Sr-Ti","density":4.948783324701604,"density_atomic":0.06877111635709675,"volume":2093.902318704182,"volume_molar":8.756787847865947,"formula_full":"Ba12 Sr20 Ti28 Mn4 O80","formula_reduced":"Ba3Sr5Ti7MnO20","formula_anonymous":"AB3C5D7E20","energy":-1170.34379454,"energy_per_atom":-8.127387462083334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1108.71179454,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":30.9427766,"is_theoretical":true,"updated_at":"2021-11-28T01:38:05.059000Z","spacegroup":1},{"id":"mp-1076196","created_at":"2022-09-04T14:39:07.513416Z","structure_string":"Ba4 Sr28 Ti24 Mn8 O80\n1.0\n-0.000817 0.007509 11.293801\n11.392560 -0.005161 -0.000865\n-5.703096 15.994837 -5.636883\nBa Sr Ti Mn O\n4 28 24 8 80\ndirect\n0.310403 0.060585 0.122093 Ba\n0.310698 0.562613 0.118889 Ba\n0.811089 0.063767 0.122496 Ba\n0.062501 0.806546 0.121626 Ba\n0.301920 0.057863 0.604967 Sr\n0.306517 0.561640 0.608690 Sr\n0.804544 0.061664 0.608336 Sr\n0.808774 0.559378 0.112757 Sr\n0.805102 0.561575 0.609753 Sr\n0.196668 0.442600 0.388623 Sr\n0.194675 0.439566 0.889464 Sr\n0.191423 0.932999 0.382553 Sr\n0.195901 0.938801 0.889737 Sr\n0.695911 0.441960 0.388004 Sr\n0.695205 0.437623 0.887333 Sr\n0.698823 0.934265 0.386163 Sr\n0.698748 0.937113 0.893817 Sr\n0.060085 0.305346 0.112205 Sr\n0.057079 0.297486 0.609139 Sr\n0.055912 0.800542 0.609296 Sr\n0.555047 0.305877 0.113602 Sr\n0.556475 0.298301 0.609263 Sr\n0.558095 0.797396 0.112029 Sr\n0.554553 0.792066 0.604227 Sr\n0.440753 0.196675 0.385733 Sr\n0.444578 0.201960 0.890268 Sr\n0.446523 0.692716 0.385270 Sr\n0.445921 0.699801 0.889413 Sr\n0.947923 0.201074 0.388386 Sr\n0.944313 0.203756 0.888085 Sr\n0.945908 0.697888 0.388537 Sr\n0.945826 0.699109 0.890516 Sr\n0.997556 0.997970 0.992767 Ti\n0.002925 0.000250 0.500491 Ti\n0.999058 0.497313 0.996803 Ti\n0.005672 0.503500 0.505559 Ti\n0.498722 0.997313 0.992749 Ti\n0.498887 0.993355 0.489949 Ti\n0.501274 0.496466 0.994863 Ti\n0.503475 0.498765 0.501523 Ti\n0.249882 0.248486 0.996570 Ti\n0.253497 0.251802 0.502607 Ti\n0.252027 0.749160 0.997804 Ti\n0.253041 0.749673 0.500549 Ti\n0.755957 0.254513 0.006706 Ti\n0.756092 0.252826 0.503548 Ti\n0.751062 0.747572 0.998503 Ti\n0.754083 0.750392 0.501372 Ti\n0.120713 0.107861 0.255537 Ti\n0.115610 0.606781 0.251096 Ti\n0.620304 0.102839 0.254254 Ti\n0.602635 0.084399 0.748778 Ti\n0.622308 0.608568 0.251108 Ti\n0.366530 0.393777 0.251943 Ti\n0.866131 0.401125 0.252862 Ti\n0.867991 0.881136 0.251863 Ti\n0.105497 0.093993 0.748734 Mn\n0.107454 0.592889 0.750395 Mn\n0.606266 0.593195 0.749395 Mn\n0.354763 0.408719 0.748500 Mn\n0.374792 0.875368 0.249616 Mn\n0.355258 0.898621 0.747778 Mn\n0.857288 0.409806 0.749219 Mn\n0.857281 0.906689 0.747889 Mn\n0.122577 0.118530 0.487553 O\n0.121464 0.123673 0.993621 O\n0.124252 0.621755 0.492342 O\n0.124866 0.624347 0.994807 O\n0.624452 0.121047 0.491501 O\n0.623308 0.124095 0.994521 O\n0.622001 0.619572 0.489196 O\n0.624936 0.622236 0.995457 O\n0.127597 0.374506 0.004289 O\n0.129786 0.376772 0.505180 O\n0.126843 0.878557 0.002904 O\n0.129169 0.875167 0.502539 O\n0.629508 0.375249 0.003790 O\n0.628850 0.373515 0.501308 O\n0.628569 0.878386 0.007850 O\n0.631141 0.879193 0.508577 O\n0.374271 0.118011 0.491082 O\n0.376158 0.122200 0.995106 O\n0.374529 0.619919 0.491446 O\n0.376518 0.621105 0.993300 O\n0.873119 0.119791 0.489646 O\n0.873758 0.123669 0.994161 O\n0.875107 0.621106 0.493288 O\n0.872561 0.620518 0.995101 O\n0.382394 0.376623 0.005421 O\n0.380365 0.378109 0.505967 O\n0.383551 0.880407 0.004098 O\n0.382335 0.880219 0.506650 O\n0.877042 0.376411 0.002315 O\n0.881063 0.379304 0.504693 O\n0.880017 0.880878 0.006645 O\n0.880036 0.879147 0.506813 O\n0.068653 0.095183 0.140415 O\n0.073228 0.079218 0.623340 O\n0.060189 0.568155 0.130233 O\n0.071517 0.580332 0.624819 O\n0.573917 0.097864 0.141777 O\n0.586694 0.097385 0.645770 O\n0.574017 0.576534 0.132599 O\n0.571656 0.578642 0.623430 O\n0.431488 0.415261 0.369648 O\n0.445079 0.418116 0.872169 O\n0.447613 0.915621 0.377112 O\n0.447251 0.922626 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O\n0.674675 0.426315 0.747989 O\n0.718236 0.970346 0.250103 O\n0.665442 0.934568 0.748597 O\n","nsites":144,"nelements":5,"elements":["Ba","Sr","Ti","Mn","O"],"chemical_system":"Ba-Mn-O-Sr-Ti","density":4.736780812246987,"density_atomic":0.06996641257009115,"volume":2058.130390146033,"volume_molar":8.607188133259115,"formula_full":"Ba4 Sr28 Ti24 Mn8 O80","formula_reduced":"BaSr7Ti6Mn2O20","formula_anonymous":"AB2C6D7E20","energy":-1169.73757102,"energy_per_atom":-8.123177576527777,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1101.43357102,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":43.412763,"is_theoretical":true,"updated_at":"2021-11-28T01:34:29.968000Z","spacegroup":1},{"id":"mp-1076875","created_at":"2022-09-04T14:47:22.286743Z","structure_string":"Sr24 Ca8 Ti16 Mn16 O80\n1.0\n0.001243 -0.019070 11.151120\n11.352219 0.007264 0.001308\n-5.667209 15.796370 -5.602184\nSr Ca Ti Mn O\n24 8 16 16 80\ndirect\n0.307142 0.062029 0.612278 Sr\n0.306913 0.562295 0.613076 Sr\n0.807252 0.062839 0.613077 Sr\n0.808173 0.562386 0.614986 Sr\n0.193684 0.436612 0.386510 Sr\n0.194573 0.438142 0.888780 Sr\n0.193194 0.936717 0.384803 Sr\n0.693381 0.436970 0.385127 Sr\n0.695242 0.438744 0.888871 Sr\n0.693676 0.936367 0.386460 Sr\n0.695428 0.937736 0.888785 Sr\n0.056752 0.299054 0.113132 Sr\n0.057447 0.299760 0.612779 Sr\n0.058245 0.802198 0.614890 Sr\n0.556806 0.300192 0.612277 Sr\n0.556486 0.799645 0.112949 Sr\n0.556819 0.800693 0.612907 Sr\n0.442489 0.197811 0.383761 Sr\n0.444475 0.200115 0.888375 Sr\n0.442043 0.697667 0.383820 Sr\n0.443930 0.700294 0.888707 Sr\n0.941912 0.197763 0.383736 Sr\n0.944882 0.199905 0.888728 Sr\n0.942587 0.697841 0.384103 Sr\n0.303645 0.065526 0.109756 Ca\n0.302404 0.566080 0.110361 Ca\n0.802194 0.065717 0.110060 Ca\n0.803187 0.566222 0.110413 Ca\n0.193747 0.934618 0.890970 Ca\n0.054437 0.793972 0.110357 Ca\n0.554323 0.294022 0.110927 Ca\n0.944986 0.705836 0.890545 Ca\n0.003066 0.999294 0.002860 Ti\n0.999734 0.999302 0.499477 Ti\n0.000628 0.502835 0.001607 Ti\n0.999064 0.500301 0.499849 Ti\n0.499853 0.001898 0.001851 Ti\n0.499328 0.999632 0.499432 Ti\n0.501482 0.500649 0.003615 Ti\n0.499964 0.499916 0.499559 Ti\n0.252087 0.249798 0.001856 Ti\n0.249168 0.249251 0.499323 Ti\n0.248710 0.751810 0.001952 Ti\n0.248855 0.749571 0.499480 Ti\n0.749835 0.251375 0.003022 Ti\n0.749492 0.250145 0.499632 Ti\n0.753902 0.751141 0.002335 Ti\n0.749747 0.748985 0.499906 Ti\n0.107898 0.091565 0.245590 Mn\n0.113711 0.095108 0.753040 Mn\n0.108373 0.597468 0.246876 Mn\n0.110608 0.601365 0.753124 Mn\n0.608364 0.097329 0.247115 Mn\n0.612778 0.097188 0.751181 Mn\n0.607962 0.591803 0.245988 Mn\n0.615172 0.597814 0.751505 Mn\n0.361425 0.403399 0.246542 Mn\n0.362669 0.403843 0.751279 Mn\n0.355631 0.902002 0.245479 Mn\n0.360464 0.903428 0.752578 Mn\n0.856227 0.402072 0.245887 Mn\n0.863725 0.407446 0.752980 Mn\n0.861758 0.903544 0.246601 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O\n0.084849 0.087117 0.124153 O\n0.076556 0.081404 0.625333 O\n0.083272 0.593691 0.124226 O\n0.073206 0.583773 0.624783 O\n0.581724 0.093153 0.124654 O\n0.574740 0.082973 0.623963 O\n0.583660 0.588220 0.124737 O\n0.575643 0.583312 0.624120 O\n0.450965 0.417633 0.374263 O\n0.452375 0.415444 0.877846 O\n0.447940 0.917658 0.373495 O\n0.454069 0.915812 0.878177 O\n0.947864 0.417798 0.373735 O\n0.952354 0.413619 0.877782 O\n0.950930 0.917579 0.374494 O\n0.957224 0.906948 0.877401 O\n0.330275 0.278975 0.124904 O\n0.324770 0.290912 0.624086 O\n0.325795 0.779245 0.124183 O\n0.323427 0.791658 0.625098 O\n0.828281 0.278923 0.124910 O\n0.826708 0.293750 0.625284 O\n0.832835 0.779637 0.125254 O\n0.825657 0.789955 0.623962 O\n0.198194 0.205262 0.373319 O\n0.202998 0.213781 0.877737 O\n0.197693 0.708796 0.374647 O\n0.203422 0.719899 0.877833 O\n0.698153 0.208954 0.374743 O\n0.702107 0.211196 0.877915 O\n0.698541 0.705252 0.373421 O\n0.708207 0.711361 0.877587 O\n0.419515 0.070610 0.240707 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H\n0.856521 0.783345 0.504559 H\n0.982826 0.238102 0.518090 H\n0.017174 0.761898 0.481910 H\n0.969572 0.098752 0.490633 H\n0.030428 0.901248 0.509367 H\n0.336706 0.139292 0.419773 H\n0.663294 0.860708 0.580227 H\n0.203715 0.024213 0.444897 H\n0.796285 0.975787 0.555103 H\n0.295194 0.995323 0.390923 H\n0.704806 0.004677 0.609077 H\n0.815395 0.936257 0.340941 H\n0.184605 0.063743 0.659059 H\n0.929777 0.853520 0.354336 H\n0.070223 0.146480 0.645664 H\n0.885787 0.934496 0.406584 H\n0.114213 0.065504 0.593416 H\n0.255088 0.096488 0.288775 H\n0.744912 0.903512 0.711225 H\n0.146192 0.949263 0.287911 H\n0.853808 0.050737 0.712089 H\n0.062319 0.042011 0.261775 H\n0.937681 0.957989 0.738225 H\n0.003318 0.221476 0.075234 C\n0.996682 0.778524 0.924766 C\n0.974218 0.987317 0.103210 C\n0.025782 0.012683 0.896790 C\n0.726974 0.014848 0.027593 C\n0.273026 0.985152 0.972407 C\n0.459637 0.937828 0.125403 C\n0.540363 0.062172 0.874597 C\n0.584414 0.084710 0.231485 C\n0.415586 0.915290 0.768515 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0.999725 0.132124 Zr\n0.350583 0.500275 0.867876 Zr\n0.149417 0.499725 0.367876 Zr\n0.483590 0.962466 0.882901 Mn\n0.521738 0.266944 0.220034 Mn\n0.478262 0.766944 0.279966 Mn\n0.016410 0.037534 0.382901 Mn\n0.021738 0.233056 0.779966 Mn\n0.983590 0.537534 0.117099 Mn\n0.978262 0.733056 0.720034 Mn\n0.516410 0.462466 0.617099 Mn\n0.487453 0.787324 0.810492 Ag\n0.006890 0.220943 0.458860 Ag\n0.010128 0.223474 0.957127 Ag\n0.498474 0.921072 0.383905 Ag\n0.501526 0.421072 0.116095 Ag\n0.989872 0.723474 0.542873 Ag\n0.510128 0.276526 0.042873 Ag\n0.993110 0.720943 0.041140 Ag\n0.012547 0.212676 0.310492 Ag\n0.998474 0.578928 0.616095 Ag\n0.001526 0.078928 0.883905 Ag\n0.987453 0.712676 0.189508 Ag\n0.506890 0.279057 0.541140 Ag\n0.493110 0.779057 0.958860 Ag\n0.489872 0.776526 0.457127 Ag\n0.512547 0.287324 0.689508 Ag\n0.003637 0.175337 0.625311 Mo\n0.466054 0.813130 0.635178 Mo\n0.503637 0.324663 0.374689 Mo\n0.502383 0.092499 0.999850 Mo\n0.988372 0.396570 0.229401 Mo\n0.457681 0.586514 0.223576 Mo\n0.997617 0.907501 0.499850 Mo\n0.957681 0.913486 0.776424 Mo\n0.497617 0.592499 0.500150 Mo\n0.011628 0.896570 0.270599 Mo\n0.042319 0.413486 0.723576 Mo\n0.511628 0.603430 0.729401 Mo\n0.491638 0.086439 0.484488 Mo\n0.991638 0.413561 0.515512 Mo\n0.496363 0.824663 0.125311 Mo\n0.966054 0.686870 0.364822 Mo\n0.508362 0.586439 0.015512 Mo\n0.488372 0.103430 0.770599 Mo\n0.533946 0.313130 0.864822 Mo\n0.002383 0.407501 0.000150 Mo\n0.542319 0.086514 0.276424 Mo\n0.008362 0.913561 0.984488 Mo\n0.033946 0.186870 0.135178 Mo\n0.996363 0.675337 0.874689 Mo\n0.240851 0.368848 0.043711 O\n0.304808 0.159770 0.025019 O\n0.048958 0.957103 0.059573 O\n0.951042 0.457103 0.440427 O\n0.831562 0.466253 0.681740 O\n0.121989 0.454093 0.933383 O\n0.740851 0.131152 0.956289 O\n0.942674 0.591426 0.364751 O\n0.892016 0.333086 0.740174 O\n0.668438 0.533747 0.181740 O\n0.695066 0.317349 0.439994 O\n0.442674 0.908574 0.635249 O\n0.867929 0.952333 0.325595 O\n0.684766 0.031294 0.439522 O\n0.621989 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0.701453 O\n0.057326 0.091426 0.135249 O\n0.738369 0.763628 0.117277 O\n0.662023 0.163512 0.493904 O\n0.861173 0.956770 0.706479 O\n0.804934 0.682651 0.939994 O\n0.138827 0.456770 0.793521 O\n0.695192 0.659770 0.474981 O\n0.560405 0.552960 0.799323 O\n0.300431 0.671143 0.745603 O\n0.860861 0.217867 0.072480 O\n0.830779 0.462474 0.052142 O\n0.800431 0.828857 0.254397 O\n0.107984 0.833086 0.759826 O\n0.182261 0.765572 0.641711 O\n0.331562 0.033747 0.318260 O\n0.060405 0.947040 0.200677 O\n0.638827 0.043230 0.206479 O\n0.195668 0.605678 0.175812 O\n0.304332 0.394322 0.675812 O\n0.761631 0.236372 0.617277 O\n0.682261 0.734428 0.358289 O\n0.378011 0.545907 0.433383 O\n0.261631 0.263628 0.382723 O\n0.283184 0.861951 0.307164 O\n0.146264 0.707980 0.298547 O\n0.169221 0.962474 0.447858 O\n0.817739 0.265572 0.858289 O\n0.320669 0.798410 0.192039 O\n0.759149 0.868848 0.456289 O\n0.162023 0.336488 0.506096 O\n0.238369 0.736372 0.882723 O\n0.279167 0.893461 0.940179 O\n0.361173 0.543230 0.293521 O\n0.360861 0.282133 0.927520 O\n0.179331 0.201590 0.692039 O\n0.837977 0.836488 0.993904 O\n0.392016 0.166914 0.259826 O\n0.669221 0.537526 0.552142 O\n0.199569 0.328857 0.245603 O\n0.617615 0.912754 0.132383 O\n0.315234 0.531294 0.060478 O\n0.607984 0.666914 0.240174 O\n0.815234 0.968706 0.939522 O\n0.716816 0.361951 0.192836 O\n0.382385 0.412754 0.367617 O\n0.117615 0.587246 0.867617 O\n0.804332 0.105678 0.324188 O\n0.699569 0.171143 0.754397 O\n","nsites":148,"nelements":5,"elements":["Zr","Mn","Ag","Mo","O"],"chemical_system":"Ag-Mn-Mo-O-Zr","density":4.571570181912891,"density_atomic":0.0639765490639834,"volume":2313.347658873944,"volume_molar":9.413044073348212,"formula_full":"Zr4 Mn8 Ag16 Mo24 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0.393446 Sr\n0.198272 0.437574 0.888844 Sr\n0.201479 0.934703 0.394644 Sr\n0.204172 0.938238 0.890025 Sr\n0.700096 0.437084 0.395781 Sr\n0.696395 0.442153 0.885979 Sr\n0.698465 0.938396 0.388005 Sr\n0.689888 0.934899 0.888694 Sr\n0.056028 0.296575 0.106532 Sr\n0.053620 0.294434 0.610278 Sr\n0.057754 0.806082 0.612281 Sr\n0.552276 0.293520 0.102945 Sr\n0.560944 0.296300 0.608777 Sr\n0.561390 0.799510 0.111571 Sr\n0.560383 0.798480 0.609889 Sr\n0.448312 0.204018 0.393333 Sr\n0.442042 0.194182 0.887316 Sr\n0.449622 0.699513 0.391083 Sr\n0.448984 0.705156 0.889768 Sr\n0.946867 0.208070 0.393134 Sr\n0.950593 0.198563 0.886643 Sr\n0.948291 0.703305 0.393295 Sr\n0.945393 0.697798 0.888374 Sr\n0.994844 0.990109 0.981794 Ti\n0.003270 0.999701 0.498442 Ti\n0.997095 0.490986 0.985782 Ti\n0.009671 0.508318 0.511112 Ti\n0.503086 0.998893 0.000894 Ti\n0.505649 0.998747 0.498771 Ti\n0.498346 0.491625 0.985050 Ti\n0.504149 0.499248 0.499786 Ti\n0.252376 0.248879 0.997758 Ti\n0.259082 0.252986 0.508432 Ti\n0.255529 0.749133 0.997681 Ti\n0.262374 0.754683 0.513869 Ti\n0.747696 0.247838 0.988643 Ti\n0.753063 0.247594 0.498226 Ti\n0.751027 0.748964 0.998394 Ti\n0.760120 0.753667 0.508558 Ti\n0.115468 0.094004 0.259802 Ti\n0.108619 0.582327 0.249892 Ti\n0.631245 0.583759 0.254438 Ti\n0.837981 0.421046 0.250564 Ti\n0.108964 0.094105 0.748708 Mn\n0.109594 0.592971 0.751527 Mn\n0.614193 0.100710 0.252146 Mn\n0.606576 0.091253 0.746439 Mn\n0.608369 0.593744 0.748628 Mn\n0.369392 0.396644 0.251940 Mn\n0.355874 0.408951 0.748331 Mn\n0.373182 0.906345 0.253588 Mn\n0.360427 0.908992 0.752405 Mn\n0.856885 0.404995 0.745244 Mn\n0.859814 0.893882 0.252003 Mn\n0.854203 0.909605 0.746407 Mn\n0.126056 0.123702 0.490149 O\n0.120247 0.121801 0.991387 O\n0.126075 0.621908 0.490120 O\n0.122573 0.618191 0.991397 O\n0.625818 0.121092 0.491278 O\n0.626987 0.128077 0.992493 O\n0.627117 0.622856 0.490700 O\n0.624265 0.619460 0.992243 O\n0.127394 0.377264 0.004861 O\n0.130501 0.377392 0.503325 O\n0.126180 0.878629 0.002322 O\n0.136092 0.873071 0.506294 O\n0.632509 0.379756 0.005894 O\n0.632427 0.377743 0.506954 O\n0.631387 0.874711 0.005681 O\n0.635080 0.873462 0.505644 O\n0.372343 0.120198 0.490689 O\n0.373782 0.121607 0.991374 O\n0.372784 0.621547 0.491003 O\n0.379762 0.618193 0.993283 O\n0.877479 0.118199 0.491766 O\n0.877245 0.123952 0.994841 O\n0.877433 0.621096 0.493038 O\n0.875326 0.615663 0.992013 O\n0.384564 0.378644 0.003279 O\n0.381840 0.379750 0.508492 O\n0.383006 0.876831 0.003753 O\n0.380787 0.875094 0.506825 O\n0.883269 0.380221 0.006996 O\n0.886750 0.384602 0.508013 O\n0.880859 0.881498 0.002446 O\n0.883230 0.878406 0.507677 O\n0.086783 0.111973 0.158373 O\n0.075104 0.077400 0.623344 O\n0.080044 0.590789 0.146018 O\n0.076187 0.584830 0.626080 O\n0.567996 0.080337 0.123396 O\n0.570377 0.077623 0.622119 O\n0.595380 0.600615 0.151611 O\n0.570065 0.582744 0.623972 O\n0.442280 0.418005 0.375986 O\n0.447167 0.414904 0.870411 O\n0.447788 0.913251 0.375309 O\n0.449198 0.922995 0.875127 O\n0.927079 0.414003 0.356204 O\n0.942954 0.416117 0.870750 O\n0.949297 0.913240 0.375125 O\n0.943490 0.918241 0.868766 O\n0.317894 0.304346 0.124200 O\n0.320304 0.295103 0.624729 O\n0.322560 0.803360 0.125828 O\n0.322666 0.792522 0.627696 O\n0.819037 0.319341 0.140682 O\n0.823078 0.294390 0.622870 O\n0.818478 0.794069 0.125256 O\n0.822437 0.791584 0.625223 O\n0.195742 0.212461 0.360917 O\n0.193452 0.205779 0.874093 O\n0.193766 0.702752 0.348829 O\n0.198168 0.702881 0.875910 O\n0.705372 0.208182 0.377188 O\n0.697135 0.206947 0.873265 O\n0.703256 0.704030 0.358115 O\n0.696708 0.701040 0.874628 O\n0.440981 0.074714 0.260340 O\n0.425524 0.074177 0.748166 O\n0.465851 0.555820 0.260015 O\n0.425766 0.575065 0.750294 O\n0.958140 0.058735 0.261430 O\n0.924262 0.074439 0.746654 O\n0.948806 0.558804 0.252876 O\n0.926610 0.574221 0.749315 O\n0.182700 0.439403 0.250393 O\n0.174321 0.423391 0.748713 O\n0.192771 0.953194 0.260087 O\n0.177582 0.926300 0.750797 O\n0.665860 0.410652 0.249490 O\n0.675664 0.424358 0.747101 O\n0.683420 0.933986 0.249927 O\n0.674286 0.924953 0.749987 O\n","nsites":144,"nelements":5,"elements":["Ba","Sr","Ti","Mn","O"],"chemical_system":"Ba-Mn-O-Sr-Ti","density":4.700666499546752,"density_atomic":0.06910007152178947,"volume":2083.934167196805,"volume_molar":8.715100617661482,"formula_full":"Ba4 Sr28 Ti20 Mn12 O80","formula_reduced":"BaSr7Ti5Mn3O20","formula_anonymous":"AB3C5D7E20","energy":-1168.7623090799998,"energy_per_atom":-8.116404924166666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1093.78630908,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":58.8793446,"is_theoretical":true,"updated_at":"2021-11-28T01:36:03.269000Z","spacegroup":1}]}