{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=12134","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_gap_direct&page=12132","results":[{"id":"mp-1204549","created_at":"2022-09-04T14:42:26.523878Z","structure_string":"Er16 B4 Cl4 O28\n1.0\n8.008021 0.000000 0.000000\n0.000000 8.547416 0.000000\n0.000000 6.049816 10.588018\nEr B Cl O\n16 4 4 28\ndirect\n0.624995 0.797817 0.221031 Er\n0.875005 0.797817 0.721031 Er\n0.375005 0.202183 0.778969 Er\n0.124995 0.202183 0.278969 Er\n0.617827 0.424506 0.908903 Er\n0.882173 0.424506 0.408903 Er\n0.382173 0.575494 0.091097 Er\n0.117827 0.575494 0.591097 Er\n0.638550 0.569549 0.581013 Er\n0.861450 0.569549 0.081013 Er\n0.361450 0.430451 0.418987 Er\n0.138550 0.430451 0.918987 Er\n0.614430 0.181906 0.279460 Er\n0.885570 0.181906 0.779460 Er\n0.385570 0.818094 0.720540 Er\n0.114430 0.818094 0.220540 Er\n0.868786 0.868332 0.414310 B\n0.631214 0.868332 0.914310 B\n0.131214 0.131668 0.585690 B\n0.368786 0.131668 0.085690 B\n0.850105 0.118460 0.031971 Cl\n0.649895 0.118460 0.531971 Cl\n0.149895 0.881540 0.968029 Cl\n0.350105 0.881540 0.468029 Cl\n0.622375 0.541428 0.402288 O\n0.877625 0.541428 0.902288 O\n0.377625 0.458572 0.597712 O\n0.122375 0.458572 0.097712 O\n0.636856 0.308398 0.775098 O\n0.863144 0.308398 0.275098 O\n0.363144 0.691602 0.224902 O\n0.136856 0.691602 0.724902 O\n0.617673 0.680074 0.716619 O\n0.882327 0.680074 0.216619 O\n0.382327 0.319926 0.283381 O\n0.117673 0.319926 0.783381 O\n0.621455 0.425182 0.093283 O\n0.878545 0.425182 0.593283 O\n0.378545 0.574818 0.906717 O\n0.121455 0.574818 0.406717 O\n0.889915 0.773249 0.544012 O\n0.610085 0.773249 0.044012 O\n0.110085 0.226751 0.455988 O\n0.389915 0.226751 0.955988 O\n0.003439 0.936794 0.334314 O\n0.496561 0.936794 0.834314 O\n0.996561 0.063206 0.665686 O\n0.503439 0.063206 0.165686 O\n0.709247 0.884748 0.366803 O\n0.790753 0.884748 0.866803 O\n0.290753 0.115252 0.633197 O\n0.209247 0.115252 0.133197 O\n","nsites":52,"nelements":4,"elements":["Er","B","Cl","O"],"chemical_system":"B-Cl-Er-O","density":7.5821992438145145,"density_atomic":0.07175111063311922,"volume":724.7274577516796,"volume_molar":8.393097621572245,"formula_full":"Er16 B4 Cl4 O28","formula_reduced":"Er4BClO7","formula_anonymous":"ABC4D7","energy":-440.79776488,"energy_per_atom":-8.476880093846153,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-419.10576488,"band_gap":4.7594,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0001691,"is_theoretical":false,"updated_at":"2021-11-28T01:35:43.491000Z","spacegroup":14},{"id":"mp-1043526","created_at":"2022-09-04T14:42:26.525025Z","structure_string":"Mg4 Cr4 Si16 O40\n1.0\n7.344174 0.000000 0.000000\n0.000000 7.344174 0.000000\n0.000000 0.000000 14.920639\nMg Cr Si O\n4 4 16 40\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.570582 Cr\n0.000000 0.500000 0.929418 Cr\n0.000000 0.500000 0.429418 Cr\n0.500000 0.000000 0.070582 Cr\n0.161819 0.241738 0.644785 Si\n0.838181 0.758262 0.644785 Si\n0.241738 0.161819 0.855215 Si\n0.741738 0.338181 0.644785 Si\n0.258262 0.661819 0.644785 Si\n0.338181 0.741738 0.855215 Si\n0.661819 0.258262 0.855215 Si\n0.758262 0.838181 0.855215 Si\n0.338181 0.258262 0.355215 Si\n0.661819 0.741738 0.355215 Si\n0.258262 0.338181 0.144785 Si\n0.758262 0.161819 0.355215 Si\n0.241738 0.838181 0.355215 Si\n0.161819 0.758262 0.144785 Si\n0.838181 0.241738 0.144785 Si\n0.741738 0.661819 0.144785 Si\n0.231249 0.087212 0.575614 O\n0.768751 0.912788 0.575614 O\n0.087212 0.231249 0.924386 O\n0.587212 0.268751 0.575614 O\n0.412788 0.731249 0.575614 O\n0.268751 0.587212 0.924386 O\n0.731249 0.412788 0.924386 O\n0.912788 0.768751 0.924386 O\n0.268751 0.412788 0.424386 O\n0.731249 0.587212 0.424386 O\n0.412788 0.268751 0.075614 O\n0.912788 0.231249 0.424386 O\n0.087212 0.768751 0.424386 O\n0.231249 0.912788 0.075614 O\n0.768751 0.087212 0.075614 O\n0.251626 0.057384 0.374952 O\n0.587212 0.731249 0.075614 O\n0.751626 0.557384 0.625048 O\n0.442616 0.248374 0.874952 O\n0.942616 0.251626 0.625048 O\n0.057384 0.748374 0.625048 O\n0.251626 0.942616 0.874952 O\n0.748374 0.057384 0.874952 O\n0.557384 0.751626 0.874952 O\n0.696273 0.696273 0.250000 O\n0.803727 0.196273 0.250000 O\n0.196273 0.803727 0.250000 O\n0.303727 0.303727 0.250000 O\n0.803727 0.803727 0.750000 O\n0.696273 0.303727 0.750000 O\n0.303727 0.696273 0.750000 O\n0.196273 0.196273 0.750000 O\n0.942616 0.748374 0.125048 O\n0.751626 0.442616 0.125048 O\n0.248374 0.557384 0.125048 O\n0.442616 0.751626 0.374952 O\n0.557384 0.248374 0.374952 O\n0.057384 0.251626 0.125048 O\n0.748374 0.942616 0.374952 O\n0.248374 0.442616 0.625048 O\n","nsites":64,"nelements":4,"elements":["Mg","Cr","Si","O"],"chemical_system":"Cr-Mg-O-Si","density":2.877460369118795,"density_atomic":0.07952554162545887,"volume":804.7728904685812,"volume_molar":7.572586915990405,"formula_full":"Mg4 Cr4 Si16 O40","formula_reduced":"MgCr(Si2O5)2","formula_anonymous":"ABC4D10","energy":-525.01419665,"energy_per_atom":-8.20334682265625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-489.53819665,"band_gap":3.5557000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.1052512,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.451000Z","spacegroup":130},{"id":"mp-773918","created_at":"2022-09-04T14:42:38.688778Z","structure_string":"Zn1 Bi38 O60\n1.0\n7.351616 -12.733372 0.000000\n7.351616 12.733372 0.000000\n0.000000 0.000000 8.999157\nZn Bi O\n1 38 60\ndirect\n0.000000 0.000000 0.999683 Zn\n0.852880 0.834483 0.678201 Bi\n0.608776 0.556426 0.745961 Bi\n0.038825 0.779465 0.903591 Bi\n0.165517 0.018397 0.678201 Bi\n0.390423 0.295281 0.561629 Bi\n0.650885 0.499052 0.340120 Bi\n0.008750 0.854882 0.325555 Bi\n0.666667 0.333333 0.662598 Bi\n0.443574 0.052350 0.745961 Bi\n0.904858 0.609577 0.561629 Bi\n0.785093 0.734709 0.082287 Bi\n0.500948 0.151834 0.340120 Bi\n0.947650 0.391224 0.745961 Bi\n0.265291 0.050383 0.082287 Bi\n0.270766 0.889286 0.425152 Bi\n0.507958 0.323314 0.014482 Bi\n0.177397 0.663441 0.684933 Bi\n0.704719 0.095142 0.561629 Bi\n0.848166 0.349115 0.340120 Bi\n0.740641 0.961175 0.903591 Bi\n0.065953 0.631094 0.223400 Bi\n0.815356 0.492042 0.014482 Bi\n0.486044 0.822603 0.684933 Bi\n0.317000 0.830285 0.015027 Bi\n0.676686 0.184644 0.014482 Bi\n0.981603 0.147120 0.678201 Bi\n0.336559 0.513956 0.684933 Bi\n0.333333 0.666667 0.337678 Bi\n0.220535 0.259359 0.903591 Bi\n0.565141 0.934047 0.223400 Bi\n0.110714 0.381481 0.425152 Bi\n0.618519 0.729234 0.425152 Bi\n0.169715 0.486715 0.015027 Bi\n0.949617 0.214907 0.082287 Bi\n0.846132 0.991250 0.325555 Bi\n0.513285 0.683000 0.015027 Bi\n0.368906 0.434859 0.223400 Bi\n0.145118 0.153868 0.325555 Bi\n0.366397 0.364876 0.750562 O\n0.874696 0.749946 0.872561 O\n0.250054 0.124751 0.872561 O\n0.198549 0.159941 0.574801 O\n0.710405 0.670708 0.593018 O\n0.542056 0.456596 0.543127 O\n0.282449 0.951118 0.929099 O\n0.961392 0.801451 0.574801 O\n0.515962 0.256829 0.741920 O\n0.740867 0.484038 0.741920 O\n0.322718 0.291094 0.087060 O\n0.998479 0.633603 0.750562 O\n0.329292 0.039697 0.593018 O\n0.164211 0.953701 0.400434 O\n0.509414 0.378453 0.246052 O\n0.176856 0.710067 0.919147 O\n0.074832 0.924320 0.075314 O\n0.666667 0.333333 0.435845 O\n0.743171 0.259133 0.741920 O\n0.382828 0.878870 0.741845 O\n0.041860 0.700649 0.413580 O\n0.717604 0.550650 0.081460 O\n0.914540 0.457944 0.543127 O\n0.543404 0.085460 0.543127 O\n0.635124 0.001521 0.750562 O\n0.869038 0.490586 0.246052 O\n0.968377 0.677282 0.087060 O\n0.533210 0.823144 0.919147 O\n0.375184 0.995341 0.264262 O\n0.449350 0.166954 0.081460 O\n0.048882 0.331331 0.929099 O\n0.121130 0.503957 0.741845 O\n0.875249 0.125304 0.872561 O\n0.209585 0.790827 0.210788 O\n0.666667 0.333333 0.039564 O\n0.333333 0.666667 0.704526 O\n0.960303 0.289595 0.593018 O\n0.621547 0.130962 0.246052 O\n0.289933 0.466790 0.919147 O\n0.181091 0.591233 0.408911 O\n0.410143 0.818909 0.408911 O\n0.668669 0.717551 0.929099 O\n0.658789 0.958140 0.413580 O\n0.004659 0.379843 0.264262 O\n0.833046 0.282396 0.081460 O\n0.496043 0.617172 0.741845 O\n0.840059 0.038608 0.574801 O\n0.333333 0.666667 0.109997 O\n0.000000 0.000000 0.772181 O\n0.408767 0.589857 0.408911 O\n0.708906 0.031623 0.087060 O\n0.046299 0.210510 0.400434 O\n0.581243 0.790415 0.210788 O\n0.209173 0.418757 0.210788 O\n0.299351 0.341211 0.413580 O\n0.789490 0.835789 0.400434 O\n0.000000 0.000000 0.375089 O\n0.620157 0.624816 0.264262 O\n0.075680 0.150512 0.075314 O\n0.849488 0.925168 0.075314 O\n","nsites":99,"nelements":3,"elements":["Zn","Bi","O"],"chemical_system":"Bi-O-Zn","density":8.837312124344054,"density_atomic":0.0587593697656981,"volume":1684.837676012535,"volume_molar":10.24881782090784,"formula_full":"Zn1 Bi38 O60","formula_reduced":"Zn(Bi19O30)2","formula_anonymous":"AB38C60","energy":-604.30845043,"energy_per_atom":-6.1041257619191915,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-563.08845043,"band_gap":0.9178000000000006,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.2222369,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.740000Z","spacegroup":143},{"id":"mp-769778","created_at":"2022-09-04T14:42:27.809972Z","structure_string":"Ca8 In8 O20\n1.0\n5.896274 0.000000 0.000000\n0.000000 5.918098 0.000000\n0.000000 0.000000 15.160241\nCa In O\n8 8 20\ndirect\n0.980572 0.441777 0.611547 Ca\n0.980572 0.441777 0.888453 Ca\n0.519428 0.941777 0.611547 Ca\n0.519428 0.941777 0.888453 Ca\n0.480572 0.058223 0.111547 Ca\n0.480572 0.058223 0.388453 Ca\n0.019428 0.558223 0.111547 Ca\n0.019428 0.558223 0.388453 Ca\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.952405 0.070389 0.250000 In\n0.547595 0.570389 0.250000 In\n0.500000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 In\n0.452405 0.429611 0.750000 In\n0.047595 0.929611 0.750000 In\n0.886983 0.059540 0.640154 O\n0.886983 0.059540 0.859846 O\n0.881948 0.424538 0.250000 O\n0.806115 0.302528 0.030313 O\n0.806115 0.302528 0.469687 O\n0.693885 0.802528 0.030313 O\n0.693885 0.802528 0.469687 O\n0.618052 0.924538 0.250000 O\n0.613017 0.559540 0.640154 O\n0.613017 0.559540 0.859846 O\n0.386983 0.440460 0.140154 O\n0.386983 0.440460 0.359846 O\n0.381948 0.075462 0.750000 O\n0.306115 0.197472 0.530313 O\n0.306115 0.197472 0.969687 O\n0.193885 0.697472 0.969687 O\n0.193885 0.697472 0.530313 O\n0.118052 0.575462 0.750000 O\n0.113017 0.940460 0.140154 O\n0.113017 0.940460 0.359846 O\n","nsites":36,"nelements":3,"elements":["Ca","In","O"],"chemical_system":"Ca-In-O","density":4.894099031464094,"density_atomic":0.06805132506032109,"volume":529.0124765107716,"volume_molar":8.84940999262239,"formula_full":"Ca8 In8 O20","formula_reduced":"Ca2In2O5","formula_anonymous":"A2B2C5","energy":-228.46856297,"energy_per_atom":-6.346348971388888,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-214.72856297,"band_gap":1.3036000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0012449,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.247000Z","spacegroup":62},{"id":"mp-12159","created_at":"2022-09-04T14:42:26.532796Z","structure_string":"Na16 P8 O24 F8\n1.0\n5.504788 0.000000 0.000000\n0.000000 7.025124 0.000000\n0.000000 0.000000 19.231484\nNa P O F\n16 8 24 8\ndirect\n0.257564 0.420247 0.039330 Na\n0.757564 0.079753 0.960670 Na\n0.742436 0.920247 0.460670 Na\n0.242436 0.579753 0.539330 Na\n0.284227 0.061268 0.191358 Na\n0.784227 0.438732 0.808642 Na\n0.715773 0.561268 0.308642 Na\n0.215773 0.938732 0.691358 Na\n0.246693 0.711020 0.877954 Na\n0.746693 0.788980 0.122046 Na\n0.753307 0.211020 0.622046 Na\n0.253307 0.288980 0.377954 Na\n0.238158 0.220786 0.866034 Na\n0.738158 0.279214 0.133966 Na\n0.761842 0.720786 0.633966 Na\n0.261842 0.779214 0.366034 Na\n0.198482 0.526551 0.211702 P\n0.698482 0.973449 0.788298 P\n0.801518 0.026551 0.288298 P\n0.301518 0.473449 0.711702 P\n0.240126 0.979736 0.031226 P\n0.740126 0.520264 0.968774 P\n0.759874 0.479736 0.468774 P\n0.259874 0.020264 0.531226 P\n0.314186 0.381265 0.163160 O\n0.685814 0.881265 0.336840 O\n0.814186 0.118735 0.836840 O\n0.185814 0.618735 0.663160 O\n0.217323 0.478446 0.787075 O\n0.717323 0.021554 0.212925 O\n0.782677 0.978446 0.712925 O\n0.282677 0.521554 0.287075 O\n0.015279 0.965743 0.562426 O\n0.515279 0.534257 0.437574 O\n0.984721 0.465743 0.937574 O\n0.484721 0.034257 0.062426 O\n0.277709 0.004257 0.452538 O\n0.777709 0.495743 0.547462 O\n0.722291 0.504257 0.047462 O\n0.222291 0.995743 0.952538 O\n0.477117 0.938887 0.570486 O\n0.977117 0.561113 0.429514 O\n0.522883 0.438887 0.929514 O\n0.022883 0.061113 0.070486 O\n0.574283 0.447885 0.701738 O\n0.074283 0.052115 0.298262 O\n0.425717 0.947885 0.798262 O\n0.925717 0.552115 0.201738 O\n0.316176 0.730457 0.183959 F\n0.816176 0.769543 0.816041 F\n0.683824 0.230457 0.316041 F\n0.183824 0.269543 0.683959 F\n0.282380 0.250720 0.544608 F\n0.717620 0.750720 0.955392 F\n0.782380 0.249280 0.455392 F\n0.217620 0.749280 0.044608 F\n","nsites":56,"nelements":4,"elements":["Na","P","O","F"],"chemical_system":"F-Na-O-P","density":2.57124270729614,"density_atomic":0.07529751377840266,"volume":743.7164547664295,"volume_molar":7.997794957377877,"formula_full":"Na16 P8 O24 F8","formula_reduced":"Na2PO3F","formula_anonymous":"ABC2D3","energy":-350.23097253000003,"energy_per_atom":-6.254124509464286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-330.04697253,"band_gap":4.9015,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:50.487000Z","spacegroup":19},{"id":"mp-560894","created_at":"2022-09-04T14:42:41.884845Z","structure_string":"Li8 Be6 P6 Cl2 O24\n1.0\n8.114744 0.000000 0.000000\n0.000000 8.114744 0.000000\n0.000000 0.000000 8.114744\nLi Be P Cl O\n8 6 6 2 24\ndirect\n0.324795 0.324795 0.675205 Li\n0.675205 0.324795 0.324795 Li\n0.175205 0.824795 0.824795 Li\n0.824795 0.175205 0.824795 Li\n0.175205 0.175205 0.175205 Li\n0.824795 0.824795 0.175205 Li\n0.675205 0.675205 0.675205 Li\n0.324795 0.675205 0.324795 Li\n0.500000 0.750000 0.000000 Be\n0.250000 0.000000 0.500000 Be\n0.000000 0.500000 0.250000 Be\n0.500000 0.250000 0.000000 Be\n0.000000 0.500000 0.750000 Be\n0.750000 0.000000 0.500000 Be\n0.500000 0.000000 0.250000 P\n0.000000 0.250000 0.500000 P\n0.250000 0.500000 0.000000 P\n0.000000 0.750000 0.500000 P\n0.500000 0.000000 0.750000 P\n0.750000 0.500000 0.000000 P\n0.500000 0.500000 0.500000 Cl\n0.000000 0.000000 0.000000 Cl\n0.364113 0.082576 0.644029 O\n0.635887 0.917424 0.644029 O\n0.082576 0.644029 0.364113 O\n0.364113 0.917424 0.355971 O\n0.635887 0.082576 0.355971 O\n0.644029 0.364113 0.082576 O\n0.417424 0.864113 0.855971 O\n0.917424 0.355971 0.364113 O\n0.855971 0.582576 0.135887 O\n0.644029 0.635887 0.917424 O\n0.135887 0.855971 0.582576 O\n0.582576 0.135887 0.855971 O\n0.917424 0.644029 0.635887 O\n0.135887 0.144029 0.417424 O\n0.355971 0.635887 0.082576 O\n0.144029 0.582576 0.864113 O\n0.082576 0.355971 0.635887 O\n0.855971 0.417424 0.864113 O\n0.864113 0.144029 0.582576 O\n0.144029 0.417424 0.135887 O\n0.582576 0.864113 0.144029 O\n0.355971 0.364113 0.917424 O\n0.864113 0.855971 0.417424 O\n0.417424 0.135887 0.144029 O\n","nsites":46,"nelements":5,"elements":["Li","Be","P","Cl","O"],"chemical_system":"Be-Cl-Li-O-P","density":2.3317392586002827,"density_atomic":0.08608616502996089,"volume":534.3483471936571,"volume_molar":6.9954803514642485,"formula_full":"Li8 Be6 P6 Cl2 O24","formula_reduced":"Li4Be3P3ClO12","formula_anonymous":"AB3C3D4E12","energy":-324.68263686,"energy_per_atom":-7.058318192608696,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.96663686,"band_gap":6.4154,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0170767,"is_theoretical":false,"updated_at":"2021-11-28T01:36:05.220000Z","spacegroup":218},{"id":"mp-1173790","created_at":"2022-09-04T14:42:43.261130Z","structure_string":"Na8 Mg2 Al4 Si18 O48\n1.0\n5.052514 -0.073299 1.618183\n-1.575191 7.756832 24.562649\n-0.537247 -0.075685 20.967045\nNa Mg Al Si O\n8 2 4 18 48\ndirect\n0.250415 0.201520 0.299090 Na\n0.250455 0.449893 0.300691 Na\n0.249545 0.701063 0.298352 Na\n0.249585 0.952739 0.296652 Na\n0.749804 0.048830 0.700237 Na\n0.750196 0.296964 0.703969 Na\n0.750126 0.548808 0.702081 Na\n0.749874 0.800585 0.698526 Na\n0.750330 0.155767 0.093745 Mg\n0.749670 0.404791 0.095697 Mg\n0.248894 0.093977 0.906308 Al\n0.748750 0.654217 0.096102 Al\n0.751250 0.904855 0.094827 Al\n0.251106 0.844547 0.905168 Al\n0.267024 0.010663 0.384849 Si\n0.267155 0.264090 0.380628 Si\n0.228523 0.051840 0.802722 Si\n0.271477 0.510962 0.384477 Si\n0.777857 0.198003 0.195888 Si\n0.232845 0.303525 0.801758 Si\n0.271044 0.757614 0.388570 Si\n0.778583 0.450129 0.194911 Si\n0.248871 0.344095 0.906020 Si\n0.232976 0.551686 0.802802 Si\n0.727288 0.238046 0.616879 Si\n0.772712 0.697896 0.197179 Si\n0.251129 0.594327 0.905558 Si\n0.228956 0.799981 0.803836 Si\n0.721417 0.490211 0.614748 Si\n0.771699 0.945541 0.198324 Si\n0.722143 0.735784 0.620326 Si\n0.728301 0.983269 0.622866 Si\n0.343623 0.127510 0.177804 O\n0.008386 0.171085 0.652934 O\n0.211348 0.058805 0.621089 O\n0.708732 0.084674 0.089941 O\n0.340570 0.380699 0.174115 O\n0.498377 0.067699 0.354753 O\n0.874082 0.017556 0.035512 O\n0.003085 0.419157 0.659204 O\n0.208356 0.306135 0.625198 O\n0.706297 0.333933 0.091845 O\n0.370004 0.618232 0.186600 O\n0.496915 0.325879 0.345760 O\n0.903539 0.281744 0.020692 O\n0.001623 0.662604 0.664944 O\n0.159430 0.240326 0.954860 O\n0.508723 0.181923 0.641304 O\n0.288652 0.168594 0.901511 O\n0.199324 0.549079 0.636754 O\n0.791268 0.183903 0.391483 O\n0.707102 0.580821 0.100689 O\n0.371276 0.864852 0.190495 O\n0.491614 0.569123 0.356858 O\n0.901969 0.535109 0.018252 O\n0.987202 0.073784 0.355198 O\n0.007012 0.914679 0.658661 O\n0.156377 0.488138 0.956548 O\n0.512020 0.436897 0.633439 O\n0.625830 0.129117 0.816853 O\n0.298028 0.420479 0.894938 O\n0.201972 0.801313 0.633270 O\n0.790771 0.442812 0.376703 O\n0.709229 0.831840 0.098646 O\n0.492988 0.811360 0.365300 O\n0.874170 0.771056 0.032974 O\n0.987980 0.327569 0.352095 O\n0.128724 0.725546 0.969107 O\n0.512798 0.681748 0.639270 O\n0.598031 0.391830 0.804809 O\n0.300676 0.670743 0.893425 O\n0.792898 0.693841 0.374649 O\n0.991277 0.578376 0.348398 O\n0.129996 0.977896 0.967271 O\n0.509636 0.926353 0.647655 O\n0.596461 0.636615 0.810949 O\n0.291644 0.918801 0.899866 O\n0.793703 0.935489 0.388733 O\n0.990364 0.824369 0.351622 O\n0.625918 0.873691 0.823241 O\n","nsites":80,"nelements":5,"elements":["Na","Mg","Al","Si","O"],"chemical_system":"Al-Mg-Na-O-Si","density":3.203482242069049,"density_atomic":0.09562451162856468,"volume":836.6055798616244,"volume_molar":6.297695703160154,"formula_full":"Na8 Mg2 Al4 Si18 O48","formula_reduced":"Na4MgAl2(Si3O8)3","formula_anonymous":"AB2C4D9E24","energy":-611.8649817,"energy_per_atom":-7.648312271250001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-578.8889817,"band_gap":4.811299999999999,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003227,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.653000Z","spacegroup":4},{"id":"mp-1019804","created_at":"2022-09-04T14:42:21.893756Z","structure_string":"K4 B4 S8 O32\n1.0\n9.226106 0.000000 0.000000\n0.000000 9.226106 0.000000\n0.000000 0.000000 7.542768\nK B S O\n4 4 8 32\ndirect\n0.500000 0.000000 0.436262 K\n0.500000 0.000000 0.936262 K\n0.000000 0.500000 0.563738 K\n0.000000 0.500000 0.063738 K\n0.000000 0.000000 0.500000 B\n0.000000 0.000000 0.000000 B\n0.500000 0.500000 0.000000 B\n0.500000 0.500000 0.500000 B\n0.846116 0.153884 0.250000 S\n0.846116 0.846116 0.750000 S\n0.153884 0.153884 0.750000 S\n0.153884 0.846116 0.250000 S\n0.653884 0.346116 0.750000 S\n0.653884 0.653884 0.250000 S\n0.346116 0.346116 0.250000 S\n0.346116 0.653884 0.750000 S\n0.295660 0.874039 0.178062 O\n0.295660 0.125961 0.678062 O\n0.704340 0.874039 0.678062 O\n0.704340 0.125961 0.178062 O\n0.374039 0.795660 0.678062 O\n0.374039 0.204340 0.178062 O\n0.625961 0.795660 0.178062 O\n0.625961 0.204340 0.678062 O\n0.204340 0.625961 0.821938 O\n0.204340 0.374039 0.321938 O\n0.795660 0.625961 0.321938 O\n0.795660 0.374039 0.821938 O\n0.125961 0.704340 0.321938 O\n0.125961 0.295660 0.821938 O\n0.874039 0.704340 0.821938 O\n0.874039 0.295660 0.321938 O\n0.467005 0.370769 0.391532 O\n0.467005 0.629231 0.891532 O\n0.532995 0.370769 0.891532 O\n0.532995 0.629231 0.391532 O\n0.870769 0.967005 0.891532 O\n0.870769 0.032995 0.391532 O\n0.129231 0.967005 0.391532 O\n0.129231 0.032995 0.891532 O\n0.032995 0.129231 0.608468 O\n0.032995 0.870769 0.108468 O\n0.967005 0.129231 0.108468 O\n0.967005 0.870769 0.608468 O\n0.629231 0.532995 0.108468 O\n0.629231 0.467005 0.608468 O\n0.370769 0.532995 0.608468 O\n0.370769 0.467005 0.108468 O\n","nsites":48,"nelements":4,"elements":["K","B","S","O"],"chemical_system":"B-K-O-S","density":2.5039101138868207,"density_atomic":0.07476074276068087,"volume":642.0481957175629,"volume_molar":8.055217936073317,"formula_full":"K4 B4 S8 O32","formula_reduced":"KB(SO4)2","formula_anonymous":"ABC2D8","energy":-325.36412045,"energy_per_atom":-6.778419176041666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-303.38012045,"band_gap":6.5587,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0004544,"is_theoretical":false,"updated_at":"2021-11-28T01:35:45.994000Z","spacegroup":130},{"id":"mp-1220926","created_at":"2022-09-04T14:42:26.540453Z","structure_string":"Rb12 Na12 Sc8 Mo24 O96\n1.0\n11.001908 0.000000 0.000000\n0.000000 12.709525 -0.004895\n0.000000 -0.007251 18.987957\nRb Na Sc Mo O\n12 12 8 24 96\ndirect\n0.775920 0.341965 0.037405 Rb\n0.714943 0.659365 0.034780 Rb\n0.275920 0.658035 0.462595 Rb\n0.214943 0.340635 0.465220 Rb\n0.224080 0.658035 0.962595 Rb\n0.285057 0.340635 0.965220 Rb\n0.724080 0.341965 0.537405 Rb\n0.785057 0.659365 0.534780 Rb\n0.743855 0.000119 0.066670 Rb\n0.243855 0.999881 0.433330 Rb\n0.256145 0.999881 0.933330 Rb\n0.756145 0.000119 0.566670 Rb\n0.499554 0.328984 0.750031 Na\n0.999554 0.671016 0.749969 Na\n0.500446 0.671016 0.249969 Na\n0.000446 0.328984 0.250031 Na\n0.498427 0.992340 0.247321 Na\n0.998427 0.007660 0.252679 Na\n0.501573 0.007660 0.752679 Na\n0.001573 0.992340 0.747321 Na\n0.571046 0.837559 0.900323 Na\n0.071046 0.162441 0.599677 Na\n0.428954 0.162441 0.099677 Na\n0.928954 0.837559 0.400323 Na\n0.250056 0.498979 0.784252 Sc\n0.750056 0.501021 0.715748 Sc\n0.749944 0.501021 0.215748 Sc\n0.249944 0.498979 0.284252 Sc\n0.925235 0.161735 0.899183 Sc\n0.425235 0.838265 0.600817 Sc\n0.074765 0.838265 0.100817 Sc\n0.574765 0.161735 0.399183 Sc\n0.585217 0.143183 0.910804 Mo\n0.923306 0.861929 0.915459 Mo\n0.085217 0.856817 0.589196 Mo\n0.423306 0.138071 0.584541 Mo\n0.414783 0.856817 0.089196 Mo\n0.076694 0.138071 0.084541 Mo\n0.914783 0.143183 0.410804 Mo\n0.576694 0.861929 0.415459 Mo\n0.212730 0.198198 0.790165 Mo\n0.282595 0.801480 0.785275 Mo\n0.712730 0.801802 0.709835 Mo\n0.782595 0.198520 0.714725 Mo\n0.787270 0.801802 0.209835 Mo\n0.717405 0.198520 0.214725 Mo\n0.287270 0.198198 0.290165 Mo\n0.217405 0.801480 0.285275 Mo\n0.453324 0.533346 0.620967 Mo\n0.046441 0.472122 0.621453 Mo\n0.953324 0.466654 0.879033 Mo\n0.546441 0.527878 0.878547 Mo\n0.546676 0.466654 0.379033 Mo\n0.953559 0.527878 0.378547 Mo\n0.046676 0.533346 0.120967 Mo\n0.453559 0.472122 0.121453 Mo\n0.400306 0.451691 0.553282 O\n0.101085 0.553098 0.553162 O\n0.900306 0.548309 0.946718 O\n0.601085 0.446902 0.946838 O\n0.599694 0.548309 0.446718 O\n0.898915 0.446902 0.446838 O\n0.099694 0.451691 0.053282 O\n0.398915 0.553098 0.053162 O\n0.483715 0.165875 0.982159 O\n0.021956 0.837330 0.991422 O\n0.983715 0.834125 0.517841 O\n0.521956 0.162670 0.508578 O\n0.516285 0.834125 0.017841 O\n0.978044 0.162670 0.008578 O\n0.016285 0.165875 0.482159 O\n0.478044 0.837330 0.491422 O\n0.748420 0.151348 0.938902 O\n0.772291 0.850282 0.945725 O\n0.248420 0.848652 0.561098 O\n0.272291 0.149718 0.554275 O\n0.251580 0.848652 0.061098 O\n0.227709 0.149718 0.054275 O\n0.751580 0.151348 0.438902 O\n0.727709 0.850282 0.445725 O\n0.616429 0.513819 0.632284 O\n0.880322 0.486790 0.633531 O\n0.116429 0.486181 0.867716 O\n0.380322 0.513210 0.866469 O\n0.383571 0.486181 0.367716 O\n0.119678 0.513210 0.366469 O\n0.883571 0.513819 0.132284 O\n0.619678 0.486790 0.133531 O\n0.419244 0.668037 0.597683 O\n0.082566 0.342901 0.597204 O\n0.919244 0.331963 0.902317 O\n0.582566 0.657099 0.902796 O\n0.580756 0.331963 0.402317 O\n0.917434 0.657099 0.402796 O\n0.080756 0.668037 0.097683 O\n0.417434 0.342901 0.097204 O\n0.551206 0.015753 0.877698 O\n0.948461 0.997426 0.884187 O\n0.051206 0.984247 0.622302 O\n0.448461 0.002574 0.615813 O\n0.448794 0.984247 0.122302 O\n0.051539 0.002574 0.115813 O\n0.948794 0.015753 0.377698 O\n0.551539 0.997426 0.384187 O\n0.383411 0.497827 0.704070 O\n0.117656 0.504230 0.706113 O\n0.883411 0.502173 0.795930 O\n0.617656 0.495770 0.793887 O\n0.616589 0.502173 0.295930 O\n0.882344 0.495770 0.293887 O\n0.116589 0.497827 0.204070 O\n0.382344 0.504230 0.206113 O\n0.117016 0.180285 0.868480 O\n0.366784 0.817646 0.863786 O\n0.617016 0.819715 0.631520 O\n0.866784 0.182354 0.636214 O\n0.882984 0.819715 0.131520 O\n0.633216 0.182354 0.136214 O\n0.382984 0.180285 0.368480 O\n0.133216 0.817646 0.363786 O\n0.334133 0.107603 0.795684 O\n0.161877 0.891859 0.793747 O\n0.834133 0.892397 0.704316 O\n0.661877 0.108141 0.706253 O\n0.665867 0.892397 0.204316 O\n0.838123 0.108141 0.206253 O\n0.165867 0.107603 0.295684 O\n0.338123 0.891859 0.293747 O\n0.125573 0.165337 0.716295 O\n0.374996 0.833918 0.707984 O\n0.625573 0.834663 0.783705 O\n0.874996 0.166082 0.792016 O\n0.874427 0.834663 0.283705 O\n0.625004 0.166082 0.292016 O\n0.374427 0.165337 0.216295 O\n0.125004 0.833918 0.207984 O\n0.272650 0.334108 0.787298 O\n0.224559 0.666117 0.786527 O\n0.772650 0.665892 0.712702 O\n0.724559 0.333883 0.713473 O\n0.727350 0.665892 0.212702 O\n0.775441 0.333883 0.213473 O\n0.227350 0.334108 0.287298 O\n0.275441 0.666117 0.286527 O\n0.555105 0.237076 0.844616 O\n0.947500 0.768055 0.848598 O\n0.055105 0.762924 0.655384 O\n0.447500 0.231945 0.651402 O\n0.444895 0.762924 0.155384 O\n0.052500 0.231945 0.151402 O\n0.944895 0.237076 0.344616 O\n0.552500 0.768055 0.348598 O\n","nsites":152,"nelements":5,"elements":["Rb","Na","Sc","Mo","O"],"chemical_system":"Mo-Na-O-Rb-Sc","density":3.439599655203093,"density_atomic":0.05724902353599573,"volume":2655.067119257133,"volume_molar":10.519202578561949,"formula_full":"Rb12 Na12 Sc8 Mo24 O96","formula_reduced":"Rb3Na3Sc2(MoO4)6","formula_anonymous":"A2B3C3D6E24","energy":-1175.8240155,"energy_per_atom":-7.735684312500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1033.0240155,"band_gap":3.4467,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.113000Z","spacegroup":14},{"id":"mp-1195590","created_at":"2022-09-04T14:42:23.169171Z","structure_string":"Na12 Mn4 S8 O32 F8\n1.0\n6.788246 0.000000 0.000000\n0.000000 9.193404 0.000000\n0.000000 0.000000 13.917901\nNa Mn S O F\n12 4 8 32 8\ndirect\n0.531205 0.663696 0.906033 Na\n0.031205 0.836304 0.593967 Na\n0.468795 0.163696 0.593967 Na\n0.968795 0.336304 0.906033 Na\n0.468795 0.336304 0.093967 Na\n0.968795 0.163696 0.406033 Na\n0.531205 0.836304 0.406033 Na\n0.031205 0.663696 0.093967 Na\n0.750000 0.000000 0.061095 Na\n0.250000 0.500000 0.438905 Na\n0.250000 0.000000 0.938905 Na\n0.750000 0.500000 0.561095 Na\n0.750000 0.000000 0.806918 Mn\n0.250000 0.500000 0.693082 Mn\n0.250000 0.000000 0.193082 Mn\n0.750000 0.500000 0.306918 Mn\n0.018677 0.690999 0.854274 S\n0.518677 0.809001 0.645726 S\n0.981323 0.190999 0.645726 S\n0.481323 0.309001 0.854274 S\n0.981323 0.309001 0.145726 S\n0.481323 0.190999 0.354274 S\n0.018677 0.809001 0.354274 S\n0.518677 0.690999 0.145726 S\n0.437105 0.445707 0.794998 O\n0.937105 0.054293 0.705002 O\n0.562895 0.945707 0.705002 O\n0.062895 0.554293 0.794998 O\n0.562895 0.554293 0.205002 O\n0.062895 0.945707 0.294998 O\n0.437105 0.054293 0.294998 O\n0.937105 0.445707 0.205002 O\n0.200165 0.753085 0.894351 O\n0.700165 0.746915 0.605649 O\n0.799835 0.253085 0.605649 O\n0.299835 0.246915 0.894351 O\n0.799835 0.246915 0.105649 O\n0.299835 0.253085 0.394351 O\n0.200165 0.746915 0.394351 O\n0.700165 0.753085 0.105649 O\n0.884802 0.638126 0.930600 O\n0.384802 0.861874 0.569400 O\n0.115198 0.138126 0.569400 O\n0.615198 0.361874 0.930600 O\n0.115198 0.361874 0.069400 O\n0.615198 0.138126 0.430600 O\n0.884802 0.861874 0.430600 O\n0.384802 0.638126 0.069400 O\n0.419234 0.703845 0.710421 O\n0.919234 0.796155 0.789579 O\n0.580766 0.203845 0.789579 O\n0.080766 0.296155 0.710421 O\n0.580766 0.296155 0.289579 O\n0.080766 0.203845 0.210421 O\n0.419234 0.796155 0.210421 O\n0.919234 0.703845 0.289579 O\n0.583726 0.924473 0.906384 F\n0.083726 0.575527 0.593616 F\n0.416274 0.424473 0.593616 F\n0.916274 0.075527 0.906384 F\n0.416274 0.075527 0.093616 F\n0.916274 0.424473 0.406384 F\n0.583726 0.575527 0.406384 F\n0.083726 0.924473 0.093616 F\n","nsites":64,"nelements":5,"elements":["Na","Mn","S","O","F"],"chemical_system":"F-Mn-Na-O-S","density":2.7073269539152642,"density_atomic":0.07368385058438709,"volume":868.5756714994615,"volume_molar":8.172945241376995,"formula_full":"Na12 Mn4 S8 O32 F8","formula_reduced":"Na3MnS2(O4F)2","formula_anonymous":"AB2C2D3E8","energy":-405.07207442,"energy_per_atom":-6.3292511628125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-372.72007442,"band_gap":1.418,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":15.9999883,"is_theoretical":false,"updated_at":"2021-11-28T01:35:45.626000Z","spacegroup":60},{"id":"mp-29746","created_at":"2022-09-04T14:42:29.609737Z","structure_string":"Cd32 P16 Cl24\n1.0\n12.421009 0.000000 0.000000\n0.000000 12.421009 0.000000\n0.000000 0.000000 12.421009\nCd P Cl\n32 16 24\ndirect\n0.723381 0.223381 0.276619 Cd\n0.276619 0.723381 0.223381 Cd\n0.223381 0.276619 0.723381 Cd\n0.776619 0.776619 0.776619 Cd\n0.276619 0.776619 0.723381 Cd\n0.723381 0.276619 0.776619 Cd\n0.776619 0.723381 0.276619 Cd\n0.223381 0.223381 0.223381 Cd\n0.750127 0.030430 0.512105 Cd\n0.512105 0.750127 0.030430 Cd\n0.030430 0.512105 0.750127 Cd\n0.469570 0.487895 0.250127 Cd\n0.012105 0.749873 0.969570 Cd\n0.969570 0.012105 0.749873 Cd\n0.987895 0.249873 0.530430 Cd\n0.487895 0.250127 0.469570 Cd\n0.530430 0.987895 0.249873 Cd\n0.250127 0.469570 0.487895 Cd\n0.249873 0.530430 0.987895 Cd\n0.749873 0.969570 0.012105 Cd\n0.249873 0.969570 0.487895 Cd\n0.487895 0.249873 0.969570 Cd\n0.969570 0.487895 0.249873 Cd\n0.530430 0.512105 0.749873 Cd\n0.987895 0.250127 0.030430 Cd\n0.030430 0.987895 0.250127 Cd\n0.012105 0.750127 0.469570 Cd\n0.512105 0.749873 0.530430 Cd\n0.469570 0.012105 0.750127 Cd\n0.749873 0.530430 0.512105 Cd\n0.750127 0.469570 0.012105 Cd\n0.250127 0.030430 0.987895 Cd\n0.948984 0.051016 0.551016 P\n0.551016 0.948984 0.051016 P\n0.051016 0.551016 0.948984 P\n0.448984 0.448984 0.448984 P\n0.051016 0.948984 0.448984 P\n0.448984 0.051016 0.948984 P\n0.948984 0.448984 0.051016 P\n0.551016 0.551016 0.551016 P\n0.607310 0.107310 0.392690 P\n0.392690 0.607310 0.107310 P\n0.107310 0.392690 0.607310 P\n0.892690 0.892690 0.892690 P\n0.392690 0.892690 0.607310 P\n0.607310 0.392690 0.892690 P\n0.892690 0.607310 0.392690 P\n0.107310 0.107310 0.107310 P\n0.681311 0.073668 0.726700 Cl\n0.726700 0.681311 0.073668 Cl\n0.073668 0.726700 0.681311 Cl\n0.426332 0.273300 0.181311 Cl\n0.226700 0.818689 0.926332 Cl\n0.926332 0.226700 0.818689 Cl\n0.773300 0.318689 0.573668 Cl\n0.273300 0.181311 0.426332 Cl\n0.573668 0.773300 0.318689 Cl\n0.181311 0.426332 0.273300 Cl\n0.318689 0.573668 0.773300 Cl\n0.818689 0.926332 0.226700 Cl\n0.318689 0.926332 0.273300 Cl\n0.273300 0.318689 0.926332 Cl\n0.926332 0.273300 0.318689 Cl\n0.573668 0.726700 0.818689 Cl\n0.773300 0.181311 0.073668 Cl\n0.073668 0.773300 0.181311 Cl\n0.226700 0.681311 0.426332 Cl\n0.726700 0.818689 0.573668 Cl\n0.426332 0.226700 0.681311 Cl\n0.818689 0.573668 0.726700 Cl\n0.681311 0.426332 0.226700 Cl\n0.181311 0.073668 0.773300 Cl\n","nsites":72,"nelements":3,"elements":["Cd","P","Cl"],"chemical_system":"Cd-Cl-P","density":4.283730691545973,"density_atomic":0.037571788336574444,"volume":1916.3314600575252,"volume_molar":16.0283580490038,"formula_full":"Cd32 P16 Cl24","formula_reduced":"Cd4P2Cl3","formula_anonymous":"A2B3C4","energy":-218.94726694,"energy_per_atom":-3.0409342630555556,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-204.21126694,"band_gap":1.3836,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":9.31e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:48.544000Z","spacegroup":205},{"id":"mp-1031885","created_at":"2022-09-04T14:42:23.180986Z","structure_string":"K1 Mg6 Mn1 O8\n1.0\n8.564280 0.000000 0.000000\n0.000000 4.495845 0.000000\n0.000000 0.000000 4.495845\nK Mg Mn O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.254171 0.000000 0.500000 Mg\n0.745829 0.000000 0.500000 Mg\n0.254171 0.500000 0.000000 Mg\n0.745829 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.219703 0.000000 0.000000 O\n0.780297 0.000000 0.000000 O\n0.247111 0.500000 0.500000 O\n0.752889 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n","nsites":16,"nelements":4,"elements":["K","Mg","Mn","O"],"chemical_system":"K-Mg-Mn-O","density":3.5287425188176464,"density_atomic":0.09242861919241084,"volume":173.10655660334405,"volume_molar":6.515450314651533,"formula_full":"K1 Mg6 Mn1 O8","formula_reduced":"KMg6MnO8","formula_anonymous":"ABC6D8","energy":-99.81994968,"energy_per_atom":-6.238746855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-92.65594968,"band_gap":2.6534000000000004,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0000141,"is_theoretical":true,"updated_at":"2021-11-28T01:35:44.770000Z","spacegroup":123}]}