{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=10197","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=10195","results":[{"id":"mp-3494","created_at":"2022-09-04T14:42:45.708051Z","structure_string":"Ce1 Ga3 Pd2\n1.0\n2.699817 -4.676220 0.000000\n2.699817 4.676220 0.000000\n0.000000 0.000000 4.319604\nCe Ga Pd\n1 3 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.500000 Ga\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n","nsites":6,"nelements":3,"elements":["Ce","Ga","Pd"],"chemical_system":"Ce-Ga-Pd","density":8.55812853800259,"density_atomic":0.055010812238383056,"volume":109.06946754393822,"volume_molar":10.947194769464124,"formula_full":"Ce1 Ga3 Pd2","formula_reduced":"CeGa3Pd2","formula_anonymous":"AB2C3","energy":-29.73799618,"energy_per_atom":-4.956332696666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.73799618,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.4221237,"is_theoretical":false,"updated_at":"2021-11-28T01:35:48.434000Z","spacegroup":191},{"id":"mp-772081","created_at":"2022-09-04T14:42:46.931257Z","structure_string":"Li12 V6 P16 O58\n1.0\n-9.773618 0.000000 0.000000\n4.859637 8.507610 0.000000\n-0.011650 -0.082176 -13.974400\nLi V P O\n12 6 16 58\ndirect\n0.092020 0.330429 0.064775 Li\n0.239924 0.339427 0.561958 Li\n0.097924 0.765341 0.558829 Li\n0.336177 0.661636 0.885765 Li\n0.233806 0.909591 0.060980 Li\n0.672840 0.767170 0.060696 Li\n0.335549 0.102026 0.440165 Li\n0.663602 0.905544 0.561837 Li\n0.764471 0.665414 0.438971 Li\n0.900329 0.665232 0.940107 Li\n0.010780 0.046548 0.995657 Li\n0.984953 0.036210 0.494206 Li\n0.436438 0.999857 0.249596 V\n0.566151 0.004454 0.753965 V\n0.437058 0.433404 0.751526 V\n0.563855 0.562805 0.246987 V\n0.996809 0.430162 0.252460 V\n0.999636 0.560901 0.745251 V\n0.091617 0.315350 0.846669 P\n0.228576 0.314911 0.343476 P\n0.087718 0.773935 0.341551 P\n0.330087 0.664929 0.127476 P\n0.338694 0.669930 0.629561 P\n0.220758 0.906207 0.842349 P\n0.309548 0.083675 0.657875 P\n0.686092 0.776166 0.842105 P\n0.305976 0.220679 0.158278 P\n0.687480 0.912458 0.344737 P\n0.778430 0.082484 0.159376 P\n0.666625 0.334827 0.368169 P\n0.668515 0.337517 0.870904 P\n0.917311 0.218711 0.661030 P\n0.772247 0.685868 0.656375 P\n0.914012 0.684544 0.157512 P\n0.013058 0.209182 0.580019 O\n0.088468 0.344011 0.337329 O\n0.198081 0.204681 0.077696 O\n0.258451 0.341046 0.837798 O\n0.102936 0.477973 0.831136 O\n0.186910 0.510384 0.165529 O\n0.093053 0.622001 0.328568 O\n0.999384 0.771302 0.068037 O\n0.075831 0.736929 0.836247 O\n0.329064 0.516277 0.671373 O\n0.384476 0.469168 0.330001 O\n0.190881 0.678389 0.667703 O\n0.329321 0.666693 0.019158 O\n0.343179 0.670655 0.522636 O\n0.319783 0.809042 0.167999 O\n0.521307 0.626421 0.830421 O\n0.486600 0.676092 0.164999 O\n0.254959 0.920089 0.340966 O\n0.203506 0.996784 0.751447 O\n0.220045 0.996421 0.568514 O\n0.213248 0.983185 0.933307 O\n0.371031 0.890991 0.830435 O\n0.490155 0.815131 0.673045 O\n0.340237 0.081793 0.158863 O\n0.531011 0.913368 0.330506 O\n0.659711 0.742135 0.336456 O\n0.209967 0.198099 0.257321 O\n0.222902 0.229003 0.435034 O\n0.775508 0.777823 0.568718 O\n0.332431 0.250492 0.658686 O\n0.465335 0.083508 0.669199 O\n0.663426 0.918935 0.841256 O\n0.509983 0.189053 0.329080 O\n0.619824 0.078124 0.168172 O\n0.794473 0.990752 0.077829 O\n0.770712 0.983663 0.437476 O\n0.801554 0.008780 0.258419 O\n0.746244 0.084380 0.658024 O\n0.522691 0.338616 0.822933 O\n0.459687 0.378381 0.166212 O\n0.662498 0.186619 0.825232 O\n0.666427 0.341431 0.976800 O\n0.664537 0.341571 0.474983 O\n0.806808 0.323239 0.323476 O\n0.618353 0.530721 0.666723 O\n0.676893 0.489289 0.325597 O\n0.917612 0.253196 0.159836 O\n0.988606 0.199920 0.760515 O\n0.014374 0.235208 0.938321 O\n0.924491 0.380954 0.668380 O\n0.816452 0.484325 0.828476 O\n0.914197 0.529887 0.170933 O\n0.743946 0.658397 0.157424 O\n0.771681 0.769356 0.930659 O\n0.794075 0.791597 0.750549 O\n0.917930 0.662585 0.656079 O\n0.999728 0.776226 0.430520 O\n0.999566 0.795810 0.249299 O\n","nsites":92,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.5901668933391444,"density_atomic":0.07917566566013168,"volume":1161.9731799277556,"volume_molar":7.6060500531192945,"formula_full":"Li12 V6 P16 O58","formula_reduced":"Li6V3P8O29","formula_anonymous":"A3B6C8D29","energy":-693.80453064,"energy_per_atom":-7.541353593913044,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-643.75853064,"band_gap":1.3295,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.7230061,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.722000Z","spacegroup":1},{"id":"mp-770138","created_at":"2022-09-04T14:42:45.302857Z","structure_string":"Li10 Fe4 P4 C4 O28\n1.0\n8.258975 0.000000 0.000000\n-2.087946 8.003293 0.000000\n-0.430016 -0.606739 8.395598\nLi Fe P C O\n10 4 4 4 28\ndirect\n0.739707 0.495049 0.097695 Li\n0.236098 0.987335 0.098831 Li\n0.598975 0.123837 0.273083 Li\n0.382885 0.364995 0.276633 Li\n0.110354 0.644466 0.274067 Li\n0.402917 0.890624 0.729279 Li\n0.613821 0.637613 0.723012 Li\n0.107440 0.149096 0.723637 Li\n0.265347 0.508694 0.895581 Li\n0.746520 0.016242 0.914428 Li\n0.486534 0.733930 0.326214 Fe\n0.970535 0.217391 0.337715 Fe\n0.019917 0.768487 0.659256 Fe\n0.535082 0.276439 0.673449 Fe\n0.762803 0.510718 0.413548 P\n0.262122 0.012160 0.416314 P\n0.737841 0.985990 0.587787 P\n0.239262 0.485649 0.581410 P\n0.514906 0.781788 0.028656 C\n0.037720 0.273532 0.049892 C\n0.976597 0.719975 0.951503 C\n0.468700 0.224448 0.969730 C\n0.403544 0.651137 0.065652 O\n0.908801 0.153532 0.081546 O\n0.957081 0.664742 0.088361 O\n0.594354 0.891361 0.141628 O\n0.432367 0.195056 0.116102 O\n0.115657 0.367030 0.177113 O\n0.635845 0.561400 0.296643 O\n0.804975 0.361730 0.315542 O\n0.293565 0.865548 0.308963 O\n0.124590 0.067940 0.316863 O\n0.929489 0.653623 0.447866 O\n0.779158 0.057902 0.424052 O\n0.304377 0.545139 0.421149 O\n0.422312 0.158396 0.444031 O\n0.594929 0.822212 0.559026 O\n0.689331 0.466432 0.572438 O\n0.208305 0.955200 0.583796 O\n0.091267 0.323641 0.546486 O\n0.896635 0.951032 0.674348 O\n0.183832 0.625337 0.682003 O\n0.682836 0.106691 0.707093 O\n0.374073 0.444905 0.696092 O\n0.869558 0.656018 0.829200 O\n0.550741 0.804322 0.882156 O\n0.382143 0.126128 0.852162 O\n0.088125 0.298067 0.911864 O\n0.589080 0.349473 0.938861 O\n0.104958 0.839536 0.917247 O\n","nsites":50,"nelements":5,"elements":["Li","Fe","P","C","O"],"chemical_system":"C-Fe-Li-O-P","density":2.7310893040460646,"density_atomic":0.09009973232393464,"volume":554.9406053753357,"volume_molar":6.68386087801977,"formula_full":"Li10 Fe4 P4 C4 O28","formula_reduced":"Li5Fe2P2(CO7)2","formula_anonymous":"A2B2C2D5E14","energy":-365.64223734,"energy_per_atom":-7.3128447468,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-337.38223734,"band_gap":1.4098,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":17.9994664,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.894000Z","spacegroup":1},{"id":"mp-759503","created_at":"2022-09-04T14:42:45.309909Z","structure_string":"Fe12 O12 F12\n1.0\n3.087605 0.000000 0.000000\n0.000000 9.554470 0.000000\n0.000000 0.079097 14.262076\nFe O F\n12 12 12\ndirect\n0.000000 0.998981 0.985733 Fe\n0.000000 0.500249 0.997028 Fe\n0.500000 0.219030 0.827829 Fe\n0.500000 0.743272 0.848705 Fe\n0.000000 0.005473 0.658987 Fe\n0.000000 0.497120 0.656327 Fe\n0.500000 0.749575 0.520002 Fe\n0.500000 0.250240 0.515868 Fe\n0.000000 0.994129 0.326824 Fe\n0.000000 0.496716 0.322675 Fe\n0.500000 0.277852 0.159913 Fe\n0.500000 0.750875 0.182753 Fe\n0.500000 0.899844 0.938032 O\n0.000000 0.158130 0.901563 O\n0.000000 0.643897 0.902390 O\n0.500000 0.091750 0.729375 O\n0.500000 0.405154 0.604328 O\n0.500000 0.902223 0.602548 O\n0.000000 0.152350 0.556480 O\n0.000000 0.651007 0.565751 O\n0.500000 0.400548 0.268475 O\n0.500000 0.911826 0.267886 O\n0.000000 0.655930 0.232333 O\n0.000000 0.354464 0.095093 O\n0.500000 0.405583 0.932840 F\n0.000000 0.350974 0.770049 F\n0.000000 0.833732 0.773009 F\n0.500000 0.595262 0.735945 F\n0.000000 0.351568 0.432879 F\n0.000000 0.851660 0.433065 F\n0.500000 0.101931 0.391507 F\n0.500000 0.596486 0.397893 F\n0.000000 0.157618 0.228579 F\n0.000000 0.847935 0.103688 F\n0.500000 0.096506 0.069231 F\n0.500000 0.600105 0.064416 F\n","nsites":36,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.302390119608997,"density_atomic":0.08556406672071659,"volume":420.73736534174986,"volume_molar":7.038165658554343,"formula_full":"Fe12 O12 F12","formula_reduced":"FeOF","formula_anonymous":"ABC","energy":-257.20019482,"energy_per_atom":-7.144449856111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-216.34019482,"band_gap":0.4964999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":60.00082,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.028000Z","spacegroup":6},{"id":"mp-1023481","created_at":"2022-09-04T14:42:45.315022Z","structure_string":"Mg12 Mn2 Al2\n1.0\n4.950901 0.000000 0.000000\n0.000000 6.094651 0.000000\n0.000000 0.000000 10.791101\nMg Mn Al\n12 2 2\ndirect\n0.500000 0.250160 0.416696 Mg\n0.500000 0.749840 0.416696 Mg\n0.000000 0.746136 0.086001 Mg\n0.000000 0.253864 0.086001 Mg\n0.000000 0.000000 0.330837 Mg\n0.000000 0.500000 0.328205 Mg\n0.500000 0.750160 0.916696 Mg\n0.500000 0.249840 0.916696 Mg\n0.000000 0.246136 0.586001 Mg\n0.000000 0.753864 0.586001 Mg\n0.000000 0.500000 0.830837 Mg\n0.000000 0.000000 0.828205 Mg\n0.500000 0.500000 0.167716 Mn\n0.500000 0.000000 0.667716 Mn\n0.500000 0.000000 0.167844 Al\n0.500000 0.500000 0.667844 Al\n","nsites":16,"nelements":3,"elements":["Mg","Mn","Al"],"chemical_system":"Al-Mg-Mn","density":2.322939204876063,"density_atomic":0.04913841475324816,"volume":325.6108297417626,"volume_molar":12.255464060533054,"formula_full":"Mg12 Mn2 Al2","formula_reduced":"Mg6MnAl","formula_anonymous":"ABC6","energy":-43.53599119,"energy_per_atom":-2.720999449375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.53599119,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0789065,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.720000Z","spacegroup":38},{"id":"mp-1359894","created_at":"2022-09-04T14:42:45.318591Z","structure_string":"Ti16 N16 O8\n1.0\n8.210964 0.000000 0.000000\n-2.732761 7.755093 0.000000\n-2.720023 -3.883841 6.717494\nTi N O\n16 16 8\ndirect\n0.242262 0.953193 0.800162 Ti\n0.011329 0.510041 0.000371 Ti\n0.043240 0.798122 0.239942 Ti\n0.456495 0.695209 0.763643 Ti\n0.289335 0.746121 0.468838 Ti\n0.784026 0.751781 0.959428 Ti\n0.509782 0.007662 0.004962 Ti\n0.997115 0.006103 0.490370 Ti\n0.497683 0.498615 0.497539 Ti\n0.253844 0.453135 0.291714 Ti\n0.739987 0.537097 0.703151 Ti\n0.715931 0.257251 0.536839 Ti\n0.210753 0.244704 0.048452 Ti\n0.549156 0.293558 0.245102 Ti\n0.955054 0.216461 0.741384 Ti\n0.752525 0.046941 0.206216 Ti\n0.225882 0.733148 0.724398 N\n0.223731 0.461851 0.552425 N\n0.724612 0.773302 0.738567 N\n0.459763 0.451275 0.772668 N\n0.273357 0.047585 0.987823 N\n0.235660 0.512341 0.041452 N\n0.946482 0.987957 0.278697 N\n0.734549 0.275640 0.777579 N\n0.727493 0.952689 0.005753 N\n0.541643 0.547479 0.226021 N\n0.274418 0.222613 0.265940 N\n0.774091 0.537485 0.450849 N\n0.488117 0.037119 0.236663 N\n0.989334 0.723481 0.049288 N\n0.773304 0.265135 0.274023 N\n0.957791 0.230053 0.494015 N\n0.043141 0.766485 0.504909 O\n0.508555 0.964985 0.759338 O\n0.008255 0.272563 0.953797 O\n0.055789 0.010517 0.723390 O\n0.263216 0.724841 0.226719 O\n0.551190 0.773752 0.455215 O\n0.763437 0.486855 0.960361 O\n0.447669 0.224854 0.541996 O\n","nsites":40,"nelements":3,"elements":["Ti","N","O"],"chemical_system":"N-O-Ti","density":4.340027795116784,"density_atomic":0.0935129043868548,"volume":427.74845100012567,"volume_molar":6.4399034544867995,"formula_full":"Ti16 N16 O8","formula_reduced":"Ti2N2O","formula_anonymous":"AB2C2","energy":-264.83985186,"energy_per_atom":-6.6209962965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-253.56785186,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003138,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.292000Z","spacegroup":1},{"id":"mp-1183458","created_at":"2022-09-04T14:42:45.324620Z","structure_string":"Ca2 Cd1 Hg1\n1.0\n0.000000 3.831044 3.831044\n3.831044 0.000000 3.831044\n3.831044 3.831044 0.000000\nCa Cd Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Hg\n","nsites":4,"nelements":3,"elements":["Ca","Cd","Hg"],"chemical_system":"Ca-Cd-Hg","density":5.805420664888019,"density_atomic":0.035569566790925995,"volume":112.45568503860505,"volume_molar":16.930599114117644,"formula_full":"Ca2 Cd1 Hg1","formula_reduced":"Ca2CdHg","formula_anonymous":"ABC2","energy":-7.03693701,"energy_per_atom":-1.7592342525,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-7.03693701,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0051265,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.895000Z","spacegroup":225},{"id":"mp-1099284","created_at":"2022-09-04T14:42:45.326849Z","structure_string":"Li1 Mg6 Co1\n1.0\n3.039702 -5.237045 0.000000\n3.039702 5.237045 0.000000\n0.000000 0.000000 4.888311\nLi Mg Co\n1 6 1\ndirect\n0.672530 0.327470 0.500000 Li\n0.831308 0.657360 0.000000 Mg\n0.342640 0.168692 0.000000 Mg\n0.334733 0.665267 0.000000 Mg\n0.674355 0.860452 0.500000 Mg\n0.139548 0.325645 0.500000 Mg\n0.166018 0.833982 0.500000 Mg\n0.838869 0.161131 0.000000 Co\n","nsites":8,"nelements":3,"elements":["Li","Mg","Co"],"chemical_system":"Co-Li-Mg","density":2.2587721392277014,"density_atomic":0.05140245339737863,"volume":155.63459467885974,"volume_molar":11.715667953520505,"formula_full":"Li1 Mg6 Co1","formula_reduced":"LiMg6Co","formula_anonymous":"ABC6","energy":-17.67342825,"energy_per_atom":-2.20917853125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.67342825,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.294061,"is_theoretical":true,"updated_at":"2021-11-28T01:35:54.348000Z","spacegroup":38},{"id":"mp-9205","created_at":"2022-09-04T14:42:45.333137Z","structure_string":"K2 Se2 O4 F2\n1.0\n6.171780 0.000000 0.000000\n0.000000 4.569794 0.000000\n0.000000 2.349884 7.035047\nK Se O F\n2 2 4 2\ndirect\n0.750000 0.832752 0.325393 K\n0.250000 0.167248 0.674607 K\n0.750000 0.587621 0.839987 Se\n0.250000 0.412379 0.160013 Se\n0.467246 0.344961 0.301187 O\n0.967246 0.655039 0.698813 O\n0.532754 0.655039 0.698813 O\n0.032754 0.344961 0.301187 O\n0.750000 0.139830 0.916063 F\n0.250000 0.860170 0.083937 F\n","nsites":10,"nelements":4,"elements":["K","Se","O","F"],"chemical_system":"F-K-O-Se","density":2.8296605676082387,"density_atomic":0.05039946622408204,"volume":198.4147997825772,"volume_molar":11.948818531578974,"formula_full":"K2 Se2 O4 F2","formula_reduced":"KSeO2F","formula_anonymous":"ABCD2","energy":-52.21638393,"energy_per_atom":-5.221638393,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.54438393000001,"band_gap":3.3338,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.86e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:35:57.106000Z","spacegroup":11},{"id":"mp-1215659","created_at":"2022-09-04T14:42:46.194645Z","structure_string":"Zr4 Co2 Mo6\n1.0\n-2.627624 -4.551585 0.000000\n-5.255248 0.000000 0.000000\n0.000000 0.000000 -8.747189\nZr Co Mo\n4 2 6\ndirect\n0.333341 0.333329 0.559343 Zr\n0.666659 0.666671 0.440657 Zr\n0.666659 0.666671 0.059343 Zr\n0.333341 0.333329 0.940657 Zr\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.831635 0.336748 0.750000 Mo\n0.336742 0.831629 0.750000 Mo\n0.831635 0.831617 0.750000 Mo\n0.168365 0.663252 0.250000 Mo\n0.663258 0.168371 0.250000 Mo\n0.168365 0.168383 0.250000 Mo\n","nsites":12,"nelements":3,"elements":["Zr","Co","Mo"],"chemical_system":"Co-Mo-Zr","density":8.399927270713412,"density_atomic":0.05735309545037601,"volume":209.23020642160174,"volume_molar":10.500114619289514,"formula_full":"Zr4 Co2 Mo6","formula_reduced":"Zr2CoMo3","formula_anonymous":"AB2C3","energy":-115.07260538,"energy_per_atom":-9.589383781666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-115.07260538,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.078302,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.063000Z","spacegroup":194},{"id":"mp-1047526","created_at":"2022-09-04T14:42:45.320276Z","structure_string":"Y2 Mn2 W4 O16\n1.0\n4.781622 -0.013199 -2.196902\n3.510818 5.550891 1.962059\n5.600732 -5.484994 5.987034\nY Mn W O\n2 2 4 16\ndirect\n0.529720 0.417676 0.687589 Y\n0.529815 0.917579 0.187612 Y\n0.005463 0.265984 0.886880 Mn\n0.005545 0.765804 0.386902 Mn\n0.293443 0.477726 0.105464 W\n0.293385 0.977778 0.605468 W\n0.766689 0.830299 0.779384 W\n0.766824 0.330193 0.279378 W\n0.286552 0.747073 0.109226 O\n0.286431 0.247136 0.609256 O\n0.279438 0.410715 0.914555 O\n0.279437 0.910716 0.414557 O\n0.368837 0.477553 0.309595 O\n0.368684 0.977614 0.809612 O\n0.176743 0.222663 0.176067 O\n0.176614 0.722728 0.676038 O\n0.774556 0.883121 0.956592 O\n0.774620 0.383029 0.456602 O\n0.768910 0.555830 0.796785 O\n0.769033 0.055726 0.296776 O\n0.698384 0.301768 0.073427 O\n0.698330 0.801770 0.573402 O\n0.851224 0.597027 0.213220 O\n0.851124 0.097085 0.713214 O\n","nsites":24,"nelements":4,"elements":["Y","Mn","W","O"],"chemical_system":"Mn-O-W-Y","density":6.614304362529851,"density_atomic":0.0747416717827361,"volume":321.10600990789646,"volume_molar":8.057273293947114,"formula_full":"Y2 Mn2 W4 O16","formula_reduced":"YMn(WO4)2","formula_anonymous":"ABC2D8","energy":-223.17382915,"energy_per_atom":-9.298909547916667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-191.09382915,"band_gap":2.2291,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9998473,"is_theoretical":true,"updated_at":"2021-11-28T01:35:55.372000Z","spacegroup":1},{"id":"mp-754149","created_at":"2022-09-04T14:42:45.331777Z","structure_string":"Gd2 O2 F2\n1.0\n3.935620 0.000000 0.000000\n0.000000 3.935620 0.000000\n0.000000 0.000000 5.668008\nGd O F\n2 2 2\ndirect\n0.000000 0.500000 0.199316 Gd\n0.500000 0.000000 0.800684 Gd\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.601309 F\n0.500000 0.000000 0.398691 F\n","nsites":6,"nelements":3,"elements":["Gd","O","F"],"chemical_system":"F-Gd-O","density":7.272499610087264,"density_atomic":0.06834306912505554,"volume":87.79236983081748,"volume_molar":8.811633479586003,"formula_full":"Gd2 O2 F2","formula_reduced":"GdOF","formula_anonymous":"ABC","energy":-66.49821888,"energy_per_atom":-11.083036479999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.20021888,"band_gap":3.2028,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.0015968,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.610000Z","spacegroup":129}]}