{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=12146","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=12144","results":[{"id":"mp-1177485","created_at":"2022-09-04T14:43:14.114288Z","structure_string":"Li4 Fe3 Cu1 P4 O16\n1.0\n6.097733 0.000000 0.000000\n0.000000 4.757135 0.000000\n0.000000 0.203136 10.334110\nLi Fe Cu P O\n4 3 1 4 16\ndirect\n0.250096 0.996755 0.003795 Li\n0.749904 0.996755 0.003795 Li\n0.748527 0.500670 0.497914 Li\n0.251473 0.500670 0.497914 Li\n0.000000 0.473709 0.781985 Fe\n0.500000 0.519157 0.219867 Fe\n0.500000 0.972952 0.719084 Fe\n0.000000 0.048573 0.286019 Cu\n0.500000 0.078695 0.406340 P\n0.500000 0.413464 0.905374 P\n0.000000 0.583404 0.099050 P\n0.000000 0.923584 0.590830 P\n0.500000 0.205363 0.543735 O\n0.299808 0.216490 0.333029 O\n0.700192 0.216490 0.333029 O\n0.000000 0.245982 0.594337 O\n0.000000 0.255892 0.107140 O\n0.297447 0.282704 0.834023 O\n0.702553 0.282704 0.834023 O\n0.500000 0.286008 0.044146 O\n0.000000 0.697960 0.956647 O\n0.794348 0.714010 0.164362 O\n0.205652 0.714010 0.164362 O\n0.500000 0.737170 0.902169 O\n0.500000 0.757326 0.406201 O\n0.797932 0.784390 0.660757 O\n0.202068 0.784390 0.660757 O\n0.000000 0.810720 0.449316 O\n","nsites":28,"nelements":5,"elements":["Li","Fe","Cu","P","O"],"chemical_system":"Cu-Fe-Li-O-P","density":3.538178640868208,"density_atomic":0.09340520351513322,"volume":299.7691664518832,"volume_molar":6.447328985289681,"formula_full":"Li4 Fe3 Cu1 P4 O16","formula_reduced":"Li4Fe3Cu(PO4)4","formula_anonymous":"AB3C4D4E16","energy":-205.06795844,"energy_per_atom":-7.323855658571429,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-187.30795844,"band_gap":0.3192999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":12.9999785,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.630000Z","spacegroup":6},{"id":"mp-560101","created_at":"2022-09-04T14:43:15.186158Z","structure_string":"Cr24 P16 O64\n1.0\n8.631711 0.000000 0.000000\n0.000000 10.541040 0.000000\n0.000000 0.000000 14.466163\nCr P O\n24 16 64\ndirect\n0.967167 0.494933 0.459830 Cr\n0.203569 0.419670 0.089546 Cr\n0.154358 0.733914 0.762356 Cr\n0.845642 0.233914 0.737644 Cr\n0.703569 0.080330 0.910454 Cr\n0.796431 0.919670 0.410454 Cr\n0.654358 0.766086 0.237644 Cr\n0.605428 0.418194 0.611116 Cr\n0.691458 0.166902 0.143903 Cr\n0.843284 0.656566 0.868921 Cr\n0.308542 0.666902 0.356097 Cr\n0.345642 0.266086 0.262356 Cr\n0.343284 0.843434 0.131079 Cr\n0.105428 0.081806 0.388884 Cr\n0.394572 0.918194 0.888884 Cr\n0.191458 0.333098 0.856097 Cr\n0.296431 0.580330 0.589546 Cr\n0.808542 0.833098 0.643903 Cr\n0.894572 0.581806 0.111116 Cr\n0.532833 0.505067 0.959830 Cr\n0.656716 0.343434 0.368921 Cr\n0.032833 0.994933 0.040170 Cr\n0.467167 0.005067 0.540170 Cr\n0.156716 0.156566 0.631079 Cr\n0.148653 0.824073 0.535976 P\n0.531679 0.501224 0.188631 P\n0.851347 0.324073 0.964024 P\n0.968321 0.498776 0.688631 P\n0.799505 0.156692 0.528938 P\n0.468321 0.001224 0.311369 P\n0.964077 0.327859 0.260780 P\n0.351347 0.175927 0.035976 P\n0.299505 0.343308 0.471062 P\n0.031679 0.998776 0.811369 P\n0.700495 0.843308 0.028938 P\n0.464077 0.172141 0.739220 P\n0.648653 0.675927 0.464024 P\n0.200495 0.656692 0.971062 P\n0.535923 0.672141 0.760780 P\n0.035923 0.827859 0.239220 P\n0.549677 0.976529 0.406008 O\n0.577481 0.809039 0.103782 O\n0.477838 0.636887 0.453130 O\n0.807513 0.947971 0.066101 O\n0.932674 0.909966 0.752211 O\n0.215659 0.759319 0.626675 O\n0.743096 0.553749 0.484835 O\n0.243096 0.946251 0.515165 O\n0.117225 0.907419 0.159414 O\n0.256904 0.053749 0.015165 O\n0.882886 0.101202 0.441622 O\n0.067326 0.409966 0.747789 O\n0.994526 0.919547 0.321076 O\n0.309100 0.063074 0.323830 O\n0.387003 0.734824 0.798405 O\n0.054212 0.131319 0.762900 O\n0.612997 0.234824 0.701595 O\n0.348589 0.276322 0.763388 O\n0.211621 0.219511 0.497891 O\n0.522162 0.136887 0.046870 O\n0.382775 0.092581 0.659414 O\n0.005474 0.419547 0.178924 O\n0.022162 0.363113 0.953130 O\n0.945788 0.631319 0.737100 O\n0.809100 0.436926 0.676170 O\n0.715659 0.740681 0.373325 O\n0.190900 0.936926 0.823830 O\n0.432674 0.590034 0.247789 O\n0.756904 0.446251 0.984835 O\n0.450323 0.476529 0.093992 O\n0.692487 0.052029 0.566101 O\n0.165732 0.720977 0.461302 O\n0.334268 0.279023 0.961302 O\n0.049677 0.523471 0.593992 O\n0.651411 0.776322 0.736612 O\n0.788379 0.719511 0.002109 O\n0.711621 0.280489 0.502109 O\n0.112997 0.265176 0.298405 O\n0.567326 0.090034 0.252211 O\n0.284341 0.240681 0.126675 O\n0.117114 0.601202 0.058378 O\n0.617225 0.592581 0.840586 O\n0.505474 0.080453 0.821076 O\n0.690900 0.563074 0.176170 O\n0.848589 0.223678 0.236612 O\n0.834268 0.220977 0.038698 O\n0.882775 0.407419 0.340586 O\n0.617114 0.898798 0.941622 O\n0.192487 0.447971 0.433899 O\n0.665732 0.779023 0.538698 O\n0.887003 0.765176 0.201595 O\n0.977838 0.863113 0.546870 O\n0.494526 0.580453 0.678924 O\n0.784341 0.259319 0.873325 O\n0.382886 0.398798 0.558378 O\n0.151411 0.723678 0.263388 O\n0.554212 0.368681 0.237100 O\n0.445788 0.868681 0.262900 O\n0.950323 0.023471 0.906008 O\n0.288379 0.780489 0.997891 O\n0.422519 0.309039 0.396218 O\n0.307513 0.552029 0.933899 O\n0.077481 0.690961 0.896218 O\n0.922519 0.190961 0.603782 O\n","nsites":104,"nelements":3,"elements":["Cr","P","O"],"chemical_system":"Cr-O-P","density":3.491362074750974,"density_atomic":0.07901319664582772,"volume":1316.2358240759988,"volume_molar":7.621689813404099,"formula_full":"Cr24 P16 O64","formula_reduced":"Cr3(PO4)2","formula_anonymous":"A2B3C8","energy":-880.49504831,"energy_per_atom":-8.466298541442308,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-788.55104831,"band_gap":2.3522,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:09.491000Z","spacegroup":19},{"id":"mp-705744","created_at":"2022-09-04T14:43:23.174712Z","structure_string":"Fe20 Si4 O32\n1.0\n8.514111 0.000000 0.000000\n0.000000 5.988060 0.000000\n0.000000 0.045340 12.081045\nFe Si O\n20 4 32\ndirect\n0.248405 0.247252 0.752836 Fe\n0.751595 0.752748 0.247164 Fe\n0.370443 0.750317 0.374185 Fe\n0.504170 0.506991 0.124105 Fe\n0.870443 0.249683 0.125815 Fe\n0.251595 0.247252 0.252836 Fe\n0.280739 0.249470 0.501081 Fe\n0.001118 0.997821 0.624359 Fe\n0.501118 0.002179 0.875641 Fe\n0.498882 0.997821 0.124359 Fe\n0.719261 0.750530 0.498919 Fe\n0.748405 0.752748 0.747164 Fe\n0.780739 0.750530 0.998919 Fe\n0.004170 0.493009 0.375895 Fe\n0.995830 0.506991 0.624105 Fe\n0.495830 0.493009 0.875895 Fe\n0.219261 0.249470 0.001081 Fe\n0.629557 0.249683 0.625815 Fe\n0.998882 0.002179 0.375641 Fe\n0.129557 0.750317 0.874185 Fe\n0.365411 0.746313 0.634623 Si\n0.865411 0.253687 0.865377 Si\n0.634589 0.253687 0.365377 Si\n0.134589 0.746313 0.134623 Si\n0.500575 0.739453 0.244665 O\n0.471043 0.745767 0.519197 O\n0.249019 0.517269 0.130300 O\n0.739997 0.506334 0.123755 O\n0.985312 0.260367 0.755635 O\n0.478172 0.270555 0.007503 O\n0.971043 0.254233 0.980803 O\n0.514688 0.260367 0.255635 O\n0.755823 0.991744 0.621423 O\n0.256724 0.978853 0.631554 O\n0.756724 0.021147 0.868446 O\n0.255823 0.008256 0.878577 O\n0.744177 0.991744 0.121423 O\n0.243276 0.978853 0.131554 O\n0.978172 0.729445 0.492497 O\n0.485312 0.739633 0.744365 O\n0.999425 0.739453 0.744665 O\n0.521828 0.729445 0.992497 O\n0.239997 0.493666 0.376245 O\n0.749019 0.482731 0.369700 O\n0.250981 0.517269 0.630300 O\n0.760003 0.506334 0.623755 O\n0.260003 0.493666 0.876245 O\n0.750981 0.482731 0.869700 O\n0.000575 0.260547 0.255335 O\n0.528957 0.254233 0.480803 O\n0.021828 0.270555 0.507503 O\n0.499425 0.260547 0.755335 O\n0.743276 0.021147 0.368446 O\n0.244177 0.008256 0.378577 O\n0.028957 0.745767 0.019197 O\n0.014688 0.739633 0.244365 O\n","nsites":56,"nelements":3,"elements":["Fe","Si","O"],"chemical_system":"Fe-O-Si","density":4.694328631603659,"density_atomic":0.09091971670524611,"volume":615.9280080199455,"volume_molar":6.623580647004502,"formula_full":"Fe20 Si4 O32","formula_reduced":"Fe5SiO8","formula_anonymous":"AB5C8","energy":-456.69076525,"energy_per_atom":-8.155192236607144,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-389.58676525,"band_gap":1.4485,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":87.9999509,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.417000Z","spacegroup":14},{"id":"mp-867474","created_at":"2022-09-04T14:43:19.759477Z","structure_string":"Li2 Eu1 Sn1\n1.0\n0.000000 3.563985 3.563985\n3.563985 0.000000 3.563985\n3.563985 3.563985 0.000000\nLi Eu Sn\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Sn\n","nsites":4,"nelements":3,"elements":["Li","Eu","Sn"],"chemical_system":"Eu-Li-Sn","density":5.2189032592272415,"density_atomic":0.044179662422511416,"volume":90.5393971041714,"volume_molar":13.631024842171415,"formula_full":"Li2 Eu1 Sn1","formula_reduced":"Li2EuSn","formula_anonymous":"ABC2","energy":-20.05894674,"energy_per_atom":-5.014736685,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.05894674,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0068812,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.179000Z","spacegroup":225},{"id":"mp-773199","created_at":"2022-09-04T14:43:18.688982Z","structure_string":"Cs12 Co4 O14\n1.0\n9.861860 0.000000 0.000000\n0.000000 7.346907 0.000000\n0.000000 7.225553 10.024585\nCs Co O\n12 4 14\ndirect\n0.290920 0.910547 0.716803 Cs\n0.856976 0.450037 0.915975 Cs\n0.969818 0.700076 0.551223 Cs\n0.469818 0.299924 0.948777 Cs\n0.209080 0.910547 0.216803 Cs\n0.356976 0.549963 0.584025 Cs\n0.643024 0.450037 0.415975 Cs\n0.790920 0.089453 0.783197 Cs\n0.530182 0.700076 0.051223 Cs\n0.030182 0.299924 0.448777 Cs\n0.143024 0.549963 0.084025 Cs\n0.709080 0.089453 0.283197 Cs\n0.636683 0.826988 0.628037 Co\n0.136683 0.173012 0.871963 Co\n0.863317 0.826988 0.128037 Co\n0.363317 0.173012 0.371963 Co\n0.287797 0.002791 0.927347 O\n0.588555 0.758797 0.788358 O\n0.500000 0.000000 0.500000 O\n0.212203 0.002791 0.427347 O\n0.165562 0.425327 0.862125 O\n0.665562 0.574673 0.637875 O\n0.911445 0.758797 0.288358 O\n0.000000 0.000000 0.000000 O\n0.088555 0.241203 0.711642 O\n0.334438 0.425327 0.362125 O\n0.834438 0.574673 0.137875 O\n0.787797 0.997209 0.572653 O\n0.411445 0.241203 0.211642 O\n0.712203 0.997209 0.072653 O\n","nsites":30,"nelements":3,"elements":["Cs","Co","O"],"chemical_system":"Co-Cs-O","density":4.697258357279938,"density_atomic":0.041303939576919024,"volume":726.3229683970446,"volume_molar":14.58006384302678,"formula_full":"Cs12 Co4 O14","formula_reduced":"Cs6Co2O7","formula_anonymous":"A2B6C7","energy":-152.74896045999998,"energy_per_atom":-5.0916320153333325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-136.57896046,"band_gap":1.0359999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.9996839,"is_theoretical":true,"updated_at":"2021-11-28T01:36:10.835000Z","spacegroup":14},{"id":"mp-827710","created_at":"2022-09-04T14:43:20.358614Z","structure_string":"Li12 Mn2 V6 P12 O48\n1.0\n8.362751 5.934078 0.000000\n-8.362751 5.934078 0.000000\n0.000000 5.930342 8.313613\nLi Mn V P O\n12 2 6 12 48\ndirect\n0.375342 0.749921 0.875253 Li\n0.749921 0.375342 0.375253 Li\n0.875927 0.124073 0.250000 Li\n0.748823 0.873283 0.876399 Li\n0.625247 0.374753 0.750000 Li\n0.873283 0.748823 0.376399 Li\n0.126717 0.251177 0.623601 Li\n0.374753 0.625247 0.250000 Li\n0.251177 0.126717 0.123601 Li\n0.124073 0.875927 0.750000 Li\n0.250079 0.624658 0.624747 Li\n0.624658 0.250079 0.124747 Li\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.374517 0.126382 0.748393 P\n0.250465 0.374766 0.874696 P\n0.748831 0.124887 0.626007 P\n0.625234 0.749535 0.625304 P\n0.124887 0.748831 0.126007 P\n0.126382 0.374517 0.248393 P\n0.873618 0.625483 0.751607 P\n0.374766 0.250465 0.374696 P\n0.875113 0.251169 0.873993 P\n0.251169 0.875113 0.373993 P\n0.749535 0.625234 0.125304 P\n0.625483 0.873618 0.251607 P\n0.114351 0.705968 0.995475 O\n0.506868 0.300060 0.607811 O\n0.707654 0.590963 0.299522 O\n0.384138 0.995263 0.706252 O\n0.208362 0.505439 0.882621 O\n0.494561 0.791638 0.617379 O\n0.705968 0.114351 0.495475 O\n0.608360 0.992353 0.803211 O\n0.788676 0.295660 0.592340 O\n0.992353 0.608360 0.303211 O\n0.388640 0.382218 0.908646 O\n0.797888 0.908286 0.211042 O\n0.995263 0.384138 0.206252 O\n0.617782 0.611360 0.591354 O\n0.590963 0.707654 0.799522 O\n0.799347 0.889443 0.494521 O\n0.406831 0.118953 0.888046 O\n0.110557 0.200653 0.005479 O\n0.886622 0.088846 0.618086 O\n0.295660 0.788676 0.092340 O\n0.118953 0.406831 0.388046 O\n0.091714 0.202112 0.288958 O\n0.699940 0.493132 0.892189 O\n0.088846 0.886622 0.118086 O\n0.911154 0.113378 0.881914 O\n0.300060 0.506868 0.107811 O\n0.908286 0.797888 0.711042 O\n0.881047 0.593169 0.611954 O\n0.704340 0.211324 0.907660 O\n0.113378 0.911154 0.381914 O\n0.889443 0.799347 0.994521 O\n0.593169 0.881047 0.111954 O\n0.200653 0.110557 0.505479 O\n0.409037 0.292346 0.200478 O\n0.382218 0.388640 0.408646 O\n0.004737 0.615862 0.793748 O\n0.202112 0.091714 0.788958 O\n0.611360 0.617782 0.091354 O\n0.007647 0.391640 0.696789 O\n0.211324 0.704340 0.407660 O\n0.391640 0.007647 0.196789 O\n0.294032 0.885649 0.504525 O\n0.505439 0.208362 0.382621 O\n0.791638 0.494561 0.117379 O\n0.615862 0.004737 0.293748 O\n0.292346 0.409037 0.700478 O\n0.493132 0.699940 0.392189 O\n0.885649 0.294032 0.004525 O\n","nsites":80,"nelements":5,"elements":["Li","Mn","V","P","O"],"chemical_system":"Li-Mn-O-P-V","density":3.2973593933636716,"density_atomic":0.0969544552774553,"volume":825.1296938450471,"volume_molar":6.211308951988225,"formula_full":"Li12 Mn2 V6 P12 O48","formula_reduced":"Li6MnV3(PO4)6","formula_anonymous":"AB3C6D6E24","energy":-609.3234908100001,"energy_per_atom":-7.616543635125001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-562.81149081,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.918000Z","spacegroup":15},{"id":"mp-777570","created_at":"2022-09-04T14:43:20.432258Z","structure_string":"Li4 Mn2 Fe2 B4 O12\n1.0\n5.215567 0.000000 0.000000\n-2.599084 4.547550 0.000000\n-0.182137 -0.287579 10.480298\nLi Mn Fe B O\n4 2 2 4 12\ndirect\n0.677369 0.652059 0.666539 Li\n0.652432 0.675158 0.169436 Li\n0.352609 0.341810 0.416863 Li\n0.336003 0.345197 0.917285 Li\n0.668331 0.003884 0.885428 Mn\n0.001678 0.326933 0.632196 Mn\n0.315597 0.001752 0.132732 Fe\n0.018326 0.674530 0.379460 Fe\n0.995889 0.336624 0.128158 B\n0.668731 0.005806 0.374000 B\n0.340085 0.997911 0.624196 B\n0.001724 0.665204 0.877663 B\n0.929215 0.256661 0.414531 O\n0.740666 0.067833 0.099482 O\n0.976253 0.581758 0.165701 O\n0.417108 0.030511 0.345021 O\n0.726955 0.640754 0.861511 O\n0.653512 0.736417 0.360742 O\n0.369840 0.273402 0.609615 O\n0.270785 0.358654 0.114625 O\n0.578627 0.968151 0.667052 O\n0.036440 0.422811 0.846931 O\n0.243875 0.928927 0.921073 O\n0.068549 0.747852 0.593562 O\n","nsites":24,"nelements":5,"elements":["Li","Mn","Fe","B","O"],"chemical_system":"B-Fe-Li-Mn-O","density":3.2370558319364107,"density_atomic":0.09655140510968059,"volume":248.57224990911783,"volume_molar":6.23723782492752,"formula_full":"Li4 Mn2 Fe2 B4 O12","formula_reduced":"Li2MnFe(BO3)2","formula_anonymous":"ABC2D2E6","energy":-187.04898771,"energy_per_atom":-7.79370782125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-170.95698771,"band_gap":2.9415,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.477000Z","spacegroup":1},{"id":"mp-1101241","created_at":"2022-09-04T14:43:20.514096Z","structure_string":"V14 Fe5 O32\n1.0\n5.918316 0.000000 0.000000\n-2.865581 5.184431 0.000000\n-0.030402 -0.137194 18.869911\nV Fe O\n14 5 32\ndirect\n0.836336 0.161830 0.814847 V\n0.667216 0.331774 0.177484 V\n0.828736 0.690725 0.327111 V\n0.838690 0.681274 0.816401 V\n0.318204 0.157623 0.315240 V\n0.319160 0.161529 0.816117 V\n0.682864 0.839331 0.069940 V\n0.675659 0.833710 0.569591 V\n0.164965 0.324563 0.068672 V\n0.322055 0.675853 0.230240 V\n0.165514 0.324227 0.570231 V\n0.318359 0.640906 0.425756 V\n0.165865 0.838908 0.069030 V\n0.159679 0.837823 0.565850 V\n0.666151 0.333169 0.675694 Fe\n0.662063 0.322242 0.471446 Fe\n0.667588 0.330171 0.976686 Fe\n0.329618 0.665813 0.728900 Fe\n0.337853 0.667711 0.923591 Fe\n0.828988 0.170586 0.119270 O\n0.829815 0.170548 0.616501 O\n0.986214 0.522286 0.243099 O\n0.952727 0.480480 0.753690 O\n0.652226 0.340207 0.371533 O\n0.666483 0.335406 0.875670 O\n0.011284 0.987217 0.513421 O\n0.992343 0.006544 0.014835 O\n0.025698 0.010683 0.270538 O\n0.005181 0.990438 0.760549 O\n0.819908 0.668019 0.119525 O\n0.833363 0.662838 0.619525 O\n0.488159 0.018138 0.245032 O\n0.516283 0.045100 0.753158 O\n0.514514 0.490595 0.252433 O\n0.520702 0.478598 0.751757 O\n0.336647 0.166272 0.619791 O\n0.338320 0.180033 0.120201 O\n0.652735 0.798706 0.374831 O\n0.673893 0.823032 0.866629 O\n0.491759 0.514428 0.006108 O\n0.483052 0.509758 0.501935 O\n0.493158 0.973779 0.008135 O\n0.482486 0.961158 0.498322 O\n0.338110 0.665015 0.127751 O\n0.209950 0.362587 0.376828 O\n0.177303 0.324317 0.866062 O\n0.326427 0.677673 0.619054 O\n0.026682 0.509931 0.006966 O\n0.026397 0.511644 0.498990 O\n0.171680 0.824962 0.370236 O\n0.167719 0.832463 0.863725 O\n","nsites":51,"nelements":3,"elements":["V","Fe","O"],"chemical_system":"Fe-O-V","density":4.314589785734042,"density_atomic":0.08808482087430704,"volume":578.987383907775,"volume_molar":6.836752008150548,"formula_full":"V14 Fe5 O32","formula_reduced":"V14Fe5O32","formula_anonymous":"A5B14C32","energy":-442.79833785,"energy_per_atom":-8.68232035,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-385.73433785,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":41.9996424,"is_theoretical":true,"updated_at":"2021-11-28T01:36:15.372000Z","spacegroup":1},{"id":"mp-735824","created_at":"2022-09-04T14:43:14.167570Z","structure_string":"K5 Li10 Al5 Si20 O50 F10\n1.0\n6.349631 0.000000 0.000000\n-3.099032 6.353065 0.000000\n-1.357426 -1.383301 33.167085\nK Li Al Si O F\n5 10 5 20 50 10\ndirect\n0.852786 0.225105 0.684123 K\n0.000000 0.000000 0.500000 K\n0.147214 0.774895 0.315877 K\n0.012806 0.446541 0.097825 K\n0.987194 0.553459 0.902175 K\n0.268208 0.336024 0.752821 Li\n0.078118 0.763884 0.808819 Li\n0.162637 0.560366 0.527210 Li\n0.097848 0.171432 0.379246 Li\n0.837363 0.439634 0.472790 Li\n0.921882 0.236116 0.191181 Li\n0.535055 0.886563 0.073176 Li\n0.902152 0.828568 0.620754 Li\n0.731792 0.663976 0.247179 Li\n0.464945 0.113437 0.926824 Li\n0.271161 0.352337 0.616083 Al\n0.504650 0.799300 0.163308 Al\n0.000000 0.000000 0.000000 Al\n0.495350 0.200700 0.836692 Al\n0.728839 0.647663 0.383917 Al\n0.573637 0.342750 0.332278 Si\n0.529234 0.168487 0.225572 Si\n0.693804 0.067706 0.287282 Si\n0.611850 0.823279 0.922118 Si\n0.657671 0.497174 0.014313 Si\n0.927239 0.073444 0.829042 Si\n0.561825 0.599507 0.838165 Si\n0.613666 0.566400 0.535245 Si\n0.737167 0.301387 0.573681 Si\n0.457560 0.026290 0.463677 Si\n0.262833 0.698613 0.426319 Si\n0.438175 0.400493 0.161835 Si\n0.072761 0.926556 0.170958 Si\n0.342329 0.502826 0.985687 Si\n0.388150 0.176721 0.077882 Si\n0.306196 0.932294 0.712718 Si\n0.470766 0.831513 0.774428 Si\n0.542440 0.973710 0.536323 Si\n0.426363 0.657250 0.667722 Si\n0.386334 0.433600 0.464755 Si\n0.610759 0.840507 0.315936 O\n0.376601 0.668349 0.030990 O\n0.530339 0.625275 0.756427 O\n0.427711 0.018780 0.267208 O\n0.192441 0.074842 0.845260 O\n0.803994 0.438436 0.532159 O\n0.227457 0.956540 0.118064 O\n0.365773 0.675825 0.818661 O\n0.184419 0.101717 0.712819 O\n0.335667 0.173988 0.348613 O\n0.366050 0.667045 0.949762 O\n0.552493 0.408876 0.587170 O\n0.199930 0.799482 0.757565 O\n0.306838 0.928478 0.506811 O\n0.348467 0.816169 0.116509 O\n0.430823 0.535157 0.711867 O\n0.515891 0.265458 0.449833 O\n0.981450 0.350378 0.599187 O\n0.593178 0.634841 0.889479 O\n0.342711 0.369053 0.515621 O\n0.378243 0.945633 0.192102 O\n0.779770 0.255961 0.323676 O\n0.637374 0.735092 0.040316 O\n0.190515 0.202636 0.176429 O\n0.843913 0.893780 0.955264 O\n0.809485 0.797364 0.823571 O\n0.220230 0.744039 0.676324 O\n0.621757 0.054367 0.807898 O\n0.018550 0.649622 0.400813 O\n0.484109 0.734542 0.550167 O\n0.569177 0.464843 0.288133 O\n0.651533 0.183831 0.883491 O\n0.800070 0.200518 0.242435 O\n0.447507 0.591124 0.412830 O\n0.633950 0.332955 0.050238 O\n0.664333 0.826012 0.651387 O\n0.815581 0.898283 0.287181 O\n0.156087 0.106220 0.044736 O\n0.634227 0.324175 0.181339 O\n0.772543 0.043460 0.881936 O\n0.196006 0.561564 0.467841 O\n0.807559 0.925158 0.154740 O\n0.362626 0.264908 0.959684 O\n0.572289 0.981220 0.732792 O\n0.469661 0.374725 0.243573 O\n0.623399 0.331651 0.969010 O\n0.657289 0.630947 0.484379 O\n0.406822 0.365159 0.110521 O\n0.389241 0.159493 0.684064 O\n0.693162 0.071522 0.493189 O\n0.005796 0.331330 0.839403 F\n0.161412 0.082982 0.610705 F\n0.011761 0.127166 0.780921 F\n0.134450 0.232001 0.439587 F\n0.865550 0.767999 0.560413 F\n0.988239 0.872834 0.219079 F\n0.838588 0.917018 0.389295 F\n0.948259 0.672324 0.011820 F\n0.994204 0.668670 0.160597 F\n0.051741 0.327676 0.988180 F\n","nsites":100,"nelements":6,"elements":["K","Li","Al","Si","O","F"],"chemical_system":"Al-F-K-Li-O-Si","density":2.4219914422834052,"density_atomic":0.07474134517006525,"volume":1337.9475546293902,"volume_molar":8.057308503475976,"formula_full":"K5 Li10 Al5 Si20 O50 F10","formula_reduced":"KLi2AlSi4(O5F)2","formula_anonymous":"ABC2D2E4F10","energy":-650.37845619,"energy_per_atom":-6.5037845619,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-622.50845619,"band_gap":0.8465000000000003,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":1.3994502,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.094000Z","spacegroup":2},{"id":"mp-755668","created_at":"2022-09-04T14:43:14.185981Z","structure_string":"Li8 Ti4 Mn4 O16\n1.0\n-3.092370 -2.909523 4.235712\n3.112011 2.928004 4.268335\n-5.982643 6.358542 0.000001\nLi Ti Mn O\n8 4 4 16\ndirect\n0.249990 0.249991 0.250008 Li\n0.749991 0.749992 0.750009 Li\n0.749991 0.249990 0.750009 Li\n0.249990 0.749991 0.250008 Li\n0.999991 0.499991 0.000009 Li\n0.499991 0.999991 0.500009 Li\n0.499990 0.499990 0.000009 Li\n0.999990 0.999991 0.500009 Li\n0.499987 0.999994 0.000007 Ti\n0.999988 0.499994 0.500007 Ti\n0.999994 0.999994 0.000003 Ti\n0.499993 0.499993 0.500003 Ti\n0.250267 0.750065 0.749796 Mn\n0.749784 0.750079 0.249770 Mn\n0.750079 0.249836 0.250293 Mn\n0.250140 0.250269 0.749902 Mn\n0.499657 0.499744 0.275483 O\n0.999660 0.999756 0.775482 O\n0.000323 0.500226 0.275482 O\n0.500323 0.000238 0.775480 O\n0.999657 0.499746 0.724537 O\n0.499656 0.999756 0.224539 O\n0.500326 0.500228 0.724538 O\n0.000324 0.000237 0.224539 O\n0.250469 0.227465 0.003059 O\n0.750467 0.727462 0.503062 O\n0.249513 0.772519 0.003062 O\n0.749512 0.272514 0.503059 O\n0.750467 0.227464 0.996959 O\n0.250468 0.727464 0.496956 O\n0.749511 0.772516 0.996956 O\n0.249512 0.272515 0.496958 O\n","nsites":32,"nelements":4,"elements":["Li","Ti","Mn","O"],"chemical_system":"Li-Mn-O-Ti","density":3.795027931256485,"density_atomic":0.10118930647618044,"volume":316.23894969111853,"volume_molar":5.951360840107732,"formula_full":"Li8 Ti4 Mn4 O16","formula_reduced":"Li2TiMnO4","formula_anonymous":"ABC2D4","energy":-247.91553692,"energy_per_atom":-7.74736052875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-230.25153692,"band_gap":0.3027000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:06.875000Z","spacegroup":74},{"id":"mp-774493","created_at":"2022-09-04T14:43:19.837222Z","structure_string":"Li5 Mn7 O15\n1.0\n3.038152 5.067110 0.000000\n-3.038152 5.067110 0.000000\n0.000000 3.194172 9.488942\nLi Mn O\n5 7 15\ndirect\n0.816010 0.816010 0.067901 Li\n0.242376 0.242376 0.235844 Li\n0.302566 0.302566 0.591874 Li\n0.682156 0.682156 0.434769 Li\n0.186400 0.186400 0.934859 Li\n0.492065 0.492065 0.007995 Mn\n0.246911 0.770379 0.240293 Mn\n0.770378 0.246911 0.240293 Mn\n0.000725 0.000725 0.494504 Mn\n0.750325 0.245793 0.750766 Mn\n0.747101 0.747101 0.751624 Mn\n0.245793 0.750325 0.750766 Mn\n0.601580 0.601580 0.140667 O\n0.609449 0.167758 0.130701 O\n0.167758 0.609449 0.130701 O\n0.332300 0.871313 0.379636 O\n0.118450 0.118450 0.129068 O\n0.871313 0.332300 0.379636 O\n0.891432 0.891432 0.366833 O\n0.106732 0.106732 0.625697 O\n0.096538 0.656501 0.634228 O\n0.875273 0.875273 0.859348 O\n0.656501 0.096538 0.634228 O\n0.835527 0.399328 0.868591 O\n0.620829 0.620829 0.642317 O\n0.399328 0.835527 0.868591 O\n0.390752 0.390752 0.874310 O\n","nsites":27,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":3.747052090207669,"density_atomic":0.09241578270891818,"volume":292.15788914586,"volume_molar":6.516355305854982,"formula_full":"Li5 Mn7 O15","formula_reduced":"Li5Mn7O15","formula_anonymous":"A5B7C15","energy":-202.36675078,"energy_per_atom":-7.4950648437037035,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-180.38575078,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":24.0008752,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.368000Z","spacegroup":8},{"id":"mp-1205231","created_at":"2022-09-04T14:43:19.854411Z","structure_string":"U4 C8 Se8 N8 O48\n1.0\n7.883005 0.000000 0.000000\n0.000000 12.171798 0.000000\n0.000000 0.000000 17.011825\nU C Se N O\n4 8 8 8 48\ndirect\n0.118491 0.250000 0.486774 U\n0.618491 0.250000 0.013226 U\n0.881509 0.750000 0.513226 U\n0.381509 0.750000 0.986774 U\n0.311347 0.584856 0.686335 C\n0.811347 0.915144 0.813665 C\n0.688653 0.084856 0.313665 C\n0.188653 0.415144 0.186335 C\n0.688653 0.415144 0.313665 C\n0.188653 0.084856 0.186335 C\n0.311347 0.915144 0.686335 C\n0.811347 0.584856 0.813665 C\n0.212810 0.548949 0.434985 Se\n0.712810 0.951051 0.065015 Se\n0.787190 0.048949 0.565015 Se\n0.287190 0.451051 0.934985 Se\n0.787190 0.451051 0.565015 Se\n0.287190 0.048949 0.934985 Se\n0.212810 0.951051 0.434985 Se\n0.712810 0.548949 0.065015 Se\n0.285293 0.490291 0.679066 N\n0.785293 0.009709 0.820934 N\n0.714707 0.990291 0.320934 N\n0.214707 0.509709 0.179066 N\n0.714707 0.509709 0.320934 N\n0.214707 0.990291 0.179066 N\n0.285293 0.009709 0.679066 N\n0.785293 0.490291 0.820934 N\n0.143685 0.250000 0.591894 O\n0.643685 0.250000 0.908106 O\n0.856315 0.750000 0.408106 O\n0.356315 0.750000 0.091894 O\n0.094450 0.250000 0.381468 O\n0.594450 0.250000 0.118532 O\n0.905550 0.750000 0.618532 O\n0.405550 0.750000 0.881468 O\n0.121265 0.631636 0.501839 O\n0.621265 0.868364 0.998161 O\n0.878735 0.131636 0.498161 O\n0.378735 0.368364 0.001839 O\n0.878735 0.368364 0.498161 O\n0.378735 0.131636 0.001839 O\n0.121265 0.868364 0.501839 O\n0.621265 0.631636 0.998161 O\n0.232802 0.427423 0.482667 O\n0.732802 0.072577 0.017333 O\n0.767198 0.927423 0.517333 O\n0.267198 0.572577 0.982667 O\n0.767198 0.572577 0.517333 O\n0.267198 0.927423 0.982667 O\n0.232802 0.072577 0.482667 O\n0.732802 0.427423 0.017333 O\n0.404009 0.595238 0.409586 O\n0.904009 0.904762 0.090414 O\n0.595991 0.095238 0.590414 O\n0.095991 0.404762 0.909586 O\n0.595991 0.404762 0.590414 O\n0.095991 0.095238 0.909586 O\n0.404009 0.904762 0.409586 O\n0.904009 0.595238 0.090414 O\n0.100256 0.538103 0.352284 O\n0.600256 0.961897 0.147716 O\n0.899744 0.038103 0.647716 O\n0.399744 0.461897 0.852284 O\n0.899744 0.461897 0.647716 O\n0.399744 0.038103 0.852284 O\n0.100256 0.961897 0.352284 O\n0.600256 0.538103 0.147716 O\n0.422560 0.250000 0.480229 O\n0.922560 0.250000 0.019771 O\n0.577440 0.750000 0.519771 O\n0.077440 0.750000 0.980229 O\n0.535976 0.750000 0.268848 O\n0.035976 0.750000 0.231152 O\n0.464024 0.250000 0.731152 O\n0.964024 0.250000 0.768848 O\n","nsites":76,"nelements":5,"elements":["U","C","Se","N","O"],"chemical_system":"C-N-O-Se-U","density":2.6042080539237937,"density_atomic":0.04656034047484246,"volume":1632.2904692044597,"volume_molar":12.93405653520487,"formula_full":"U4 C8 Se8 N8 O48","formula_reduced":"UC2Se2(NO6)2","formula_anonymous":"AB2C2D2E12","energy":-481.95473476,"energy_per_atom":-6.341509667894737,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-446.0907347599999,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":32.5711099,"is_theoretical":false,"updated_at":"2021-11-28T01:36:12.532000Z","spacegroup":62}]}