{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=10175","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=10173","results":[{"id":"mp-766682","created_at":"2022-09-04T14:47:15.852997Z","structure_string":"Li6 V8 P12 O48\n1.0\n8.426687 0.000000 0.000000\n-0.023377 8.719976 0.000000\n-0.134422 -0.042346 11.957895\nLi V P O\n6 8 12 48\ndirect\n0.809803 0.214199 0.820497 Li\n0.683137 0.712554 0.680183 Li\n0.570013 0.407924 0.195521 Li\n0.184915 0.786624 0.179961 Li\n0.083449 0.087706 0.690413 Li\n0.076313 0.504342 0.343767 Li\n0.747498 0.974386 0.111392 V\n0.751001 0.533664 0.890021 V\n0.744795 0.474957 0.394291 V\n0.742004 0.032463 0.606113 V\n0.252353 0.969786 0.387270 V\n0.245182 0.527452 0.614989 V\n0.246294 0.465014 0.112156 V\n0.257366 0.026102 0.891768 V\n0.968852 0.751592 0.507753 P\n0.883592 0.618478 0.149207 P\n0.885196 0.892800 0.854454 P\n0.608607 0.114483 0.345635 P\n0.613281 0.391153 0.647411 P\n0.537256 0.249836 0.991210 P\n0.463901 0.751320 0.007636 P\n0.385961 0.612904 0.358634 P\n0.391244 0.881107 0.647190 P\n0.112946 0.109627 0.145277 P\n0.108441 0.382276 0.848545 P\n0.038598 0.247768 0.491817 P\n0.935160 0.099143 0.108578 O\n0.941615 0.129957 0.559642 O\n0.945625 0.333042 0.400981 O\n0.930138 0.414758 0.822437 O\n0.911866 0.637509 0.417906 O\n0.871712 0.793631 0.156661 O\n0.858150 0.569224 0.023215 O\n0.865972 0.006557 0.751907 O\n0.830431 0.731043 0.816995 O\n0.821811 0.823896 0.566701 O\n0.765394 0.528173 0.220494 O\n0.777662 0.955274 0.946664 O\n0.722015 0.021529 0.272863 O\n0.724010 0.449460 0.556069 O\n0.680273 0.323333 0.929353 O\n0.663625 0.227300 0.682973 O\n0.650805 0.075837 0.472776 O\n0.624520 0.289407 0.332391 O\n0.639736 0.504350 0.748405 O\n0.606773 0.141866 0.080917 O\n0.568747 0.836984 0.096154 O\n0.569087 0.917297 0.675404 O\n0.556977 0.619630 0.399645 O\n0.562939 0.629755 0.947573 O\n0.450436 0.372379 0.058024 O\n0.436583 0.399076 0.611741 O\n0.436060 0.067046 0.323947 O\n0.430632 0.169728 0.901746 O\n0.397231 0.860518 0.916684 O\n0.372463 0.506476 0.254619 O\n0.377729 0.705949 0.661367 O\n0.360827 0.929334 0.526010 O\n0.320730 0.773836 0.322061 O\n0.320708 0.679980 0.067909 O\n0.267042 0.550832 0.446847 O\n0.278836 0.974117 0.724325 O\n0.220844 0.052186 0.048918 O\n0.217145 0.475831 0.770963 O\n0.178179 0.161499 0.436865 O\n0.156754 0.273398 0.179026 O\n0.137813 0.993288 0.241633 O\n0.144348 0.423406 0.969470 O\n0.126118 0.204253 0.829916 O\n0.110205 0.353653 0.583246 O\n0.056991 0.581528 0.185601 O\n0.069498 0.668067 0.600306 O\n0.064803 0.875959 0.449638 O\n0.062749 0.897852 0.887922 O\n","nsites":74,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":3.0026231472821983,"density_atomic":0.0842179821600594,"volume":878.6722039879827,"volume_molar":7.150659046371709,"formula_full":"Li6 V8 P12 O48","formula_reduced":"Li3V4(PO4)6","formula_anonymous":"A3B4C6D24","energy":-583.7427466500001,"energy_per_atom":-7.888415495270271,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-537.16674665,"band_gap":0.7901000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:54.293000Z","spacegroup":1},{"id":"mp-772267","created_at":"2022-09-04T14:47:29.106001Z","structure_string":"Li4 Al2 Fe2 O8\n1.0\n5.470850 0.000000 0.000000\n0.000000 5.038261 0.000000\n0.000000 5.033407 6.430208\nLi Al Fe O\n4 2 2 8\ndirect\n0.670920 0.246226 0.250578 Li\n0.834107 0.499888 0.497716 Li\n0.329080 0.246226 0.750578 Li\n0.165893 0.499888 0.997716 Li\n0.830922 0.004216 0.999822 Al\n0.169078 0.004216 0.499822 Al\n0.331145 0.754453 0.247033 Fe\n0.668855 0.754453 0.747033 Fe\n0.142388 0.890982 0.009760 O\n0.665936 0.672979 0.225748 O\n0.315921 0.109550 0.270796 O\n0.180757 0.369637 0.488956 O\n0.857612 0.890982 0.509760 O\n0.334064 0.672979 0.725748 O\n0.684079 0.109550 0.770796 O\n0.819243 0.369637 0.988956 O\n","nsites":16,"nelements":4,"elements":["Li","Al","Fe","O"],"chemical_system":"Al-Fe-Li-O","density":3.0112795072468783,"density_atomic":0.09027333603850765,"volume":177.23948955619545,"volume_molar":6.671007214612243,"formula_full":"Li4 Al2 Fe2 O8","formula_reduced":"Li2AlFeO4","formula_anonymous":"ABC2D4","energy":-111.59262118,"energy_per_atom":-6.97453882375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.58462118,"band_gap":2.9466,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:15.331000Z","spacegroup":7},{"id":"mp-32027","created_at":"2022-09-04T14:39:24.336259Z","structure_string":"Li4 Mn6 P8 O28\n1.0\n5.360708 0.000000 0.000000\n2.068550 6.312817 0.000000\n2.023305 1.785814 15.997282\nLi Mn P O\n4 6 8 28\ndirect\n0.925985 0.783260 0.004507 Li\n0.355052 0.690717 0.116578 Li\n0.074015 0.216740 0.995493 Li\n0.644948 0.309283 0.883422 Li\n0.255436 0.970928 0.331798 Mn\n0.744564 0.029072 0.668202 Mn\n0.963997 0.381393 0.186751 Mn\n0.036003 0.618607 0.813249 Mn\n0.837298 0.708804 0.424058 Mn\n0.162702 0.291196 0.575942 Mn\n0.167204 0.092334 0.790644 P\n0.563720 0.243245 0.073301 P\n0.370696 0.443012 0.317945 P\n0.717996 0.217190 0.461118 P\n0.436280 0.756755 0.926699 P\n0.629304 0.556988 0.682055 P\n0.832796 0.907666 0.209356 P\n0.282004 0.782810 0.538882 P\n0.326638 0.139654 0.709538 O\n0.577884 0.158743 0.545920 O\n0.599349 0.468848 0.257749 O\n0.605204 0.053660 0.150201 O\n0.891744 0.023227 0.418710 O\n0.865410 0.379217 0.465073 O\n0.978673 0.713980 0.160296 O\n0.283273 0.859656 0.004809 O\n0.219474 0.304322 0.290339 O\n0.737443 0.678180 0.928230 O\n0.467819 0.322697 0.407022 O\n0.977585 0.964564 0.782706 O\n0.673362 0.860346 0.290462 O\n0.716727 0.140344 0.995191 O\n0.780526 0.695678 0.709661 O\n0.394796 0.946340 0.849799 O\n0.400651 0.531152 0.742251 O\n0.182908 0.659634 0.339142 O\n0.134590 0.620783 0.534927 O\n0.322209 0.584440 0.907806 O\n0.677791 0.415560 0.092194 O\n0.021327 0.286020 0.839704 O\n0.022415 0.035436 0.217294 O\n0.817092 0.340366 0.660858 O\n0.422116 0.841257 0.454080 O\n0.532181 0.677303 0.592978 O\n0.108256 0.976773 0.581290 O\n0.262557 0.321820 0.071770 O\n","nsites":46,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.2303843408371553,"density_atomic":0.08497012937305089,"volume":541.3667172147364,"volume_molar":7.087362117057081,"formula_full":"Li4 Mn6 P8 O28","formula_reduced":"Li2Mn3(P2O7)2","formula_anonymous":"A2B3C4D14","energy":-364.30353429,"energy_per_atom":-7.919642049782609,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-335.05953429,"band_gap":3.4753,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:23.175000Z","spacegroup":2},{"id":"mp-1101683","created_at":"2022-09-04T14:43:43.890649Z","structure_string":"Na1 V5 O8\n1.0\n3.001015 0.000000 0.000000\n-1.452137 5.338124 0.000000\n-0.192097 -2.433417 10.330601\nNa V O\n1 5 8\ndirect\n0.507774 0.996523 0.249576 Na\n0.751232 0.471763 0.122635 V\n0.733734 0.466516 0.618440 V\n0.502642 0.996865 0.749954 V\n0.255254 0.524043 0.377612 V\n0.267487 0.525200 0.882829 V\n0.870463 0.707653 0.313868 O\n0.645889 0.320501 0.433475 O\n0.877582 0.737108 0.799654 O\n0.659757 0.301053 0.919186 O\n0.349646 0.675790 0.065751 O\n0.340244 0.688770 0.576471 O\n0.163225 0.295232 0.197316 O\n0.126238 0.256266 0.697789 O\n","nsites":14,"nelements":3,"elements":["Na","V","O"],"chemical_system":"Na-O-V","density":4.070648769827111,"density_atomic":0.08459518092548338,"volume":165.4940606171415,"volume_molar":7.11877519985999,"formula_full":"Na1 V5 O8","formula_reduced":"NaV5O8","formula_anonymous":"AB5C8","energy":-119.59702713,"energy_per_atom":-8.542644795,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-105.60102713,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.925000Z","spacegroup":1},{"id":"mp-24102","created_at":"2022-09-04T14:43:52.962864Z","structure_string":"V2 Fe2 H4 O10\n1.0\n5.560572 0.000000 0.000000\n-1.687698 5.454601 0.000000\n-0.594568 -1.474215 6.578874\nV Fe H O\n2 2 4 10\ndirect\n0.257935 0.620962 0.755810 V\n0.742065 0.379038 0.244190 V\n0.636221 0.216720 0.699283 Fe\n0.363779 0.783280 0.300717 Fe\n0.080031 0.113318 0.703912 H\n0.919969 0.886682 0.296088 H\n0.873982 0.850328 0.711800 H\n0.126018 0.149672 0.288200 H\n0.647372 0.638812 0.330593 O\n0.623494 0.262246 0.993793 O\n0.376506 0.737754 0.006207 O\n0.352628 0.361188 0.669407 O\n0.377827 0.861607 0.617930 O\n0.908710 0.033904 0.737590 O\n0.075150 0.470829 0.278394 O\n0.924850 0.529171 0.721606 O\n0.091290 0.966096 0.262410 O\n0.622173 0.138393 0.382070 O\n","nsites":18,"nelements":4,"elements":["V","Fe","H","O"],"chemical_system":"Fe-H-O-V","density":3.1422854311581263,"density_atomic":0.09020663448663821,"volume":199.5418641038674,"volume_molar":6.675939961923782,"formula_full":"V2 Fe2 H4 O10","formula_reduced":"VFeH2O5","formula_anonymous":"ABC2D5","energy":-130.65869294,"energy_per_atom":-7.258816274444445,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-115.87669294,"band_gap":1.9489,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.623000Z","spacegroup":2},{"id":"mp-759311","created_at":"2022-09-04T14:43:54.155376Z","structure_string":"Li4 Fe6 P10 O36\n1.0\n2.470785 12.835856 0.000000\n-2.470785 12.835856 0.000000\n0.000000 0.386654 12.563930\nLi Fe P O\n4 6 10 36\ndirect\n0.486768 0.183200 0.863881 Li\n0.183200 0.486768 0.363881 Li\n0.816800 0.513232 0.636119 Li\n0.513232 0.816800 0.136119 Li\n0.878579 0.723905 0.620636 Fe\n0.723905 0.878579 0.120636 Fe\n0.276095 0.121421 0.879364 Fe\n0.121421 0.276095 0.379364 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.932984 0.929596 0.592203 P\n0.929596 0.932984 0.092203 P\n0.847575 0.700204 0.871635 P\n0.700204 0.847575 0.371635 P\n0.299796 0.152425 0.628365 P\n0.152425 0.299796 0.128365 P\n0.070404 0.067016 0.907797 P\n0.067016 0.070404 0.407797 P\n0.269602 0.730398 0.750000 P\n0.730398 0.269602 0.250000 P\n0.397489 0.552481 0.842800 O\n0.772012 0.137244 0.005681 O\n0.552481 0.397489 0.342800 O\n0.017267 0.898243 0.705623 O\n0.137244 0.772012 0.505681 O\n0.898243 0.017267 0.205623 O\n0.639333 0.234672 0.568441 O\n0.234671 0.639333 0.068441 O\n0.957465 0.791218 0.616124 O\n0.791218 0.957465 0.116124 O\n0.761158 0.850124 0.963379 O\n0.774579 0.835955 0.772403 O\n0.850124 0.761158 0.463379 O\n0.835955 0.774579 0.272403 O\n0.238559 0.324544 0.628255 O\n0.158099 0.383960 0.876440 O\n0.324544 0.238559 0.128255 O\n0.383960 0.158099 0.376440 O\n0.616040 0.841901 0.623560 O\n0.675456 0.761441 0.871745 O\n0.841901 0.616040 0.123560 O\n0.761441 0.675456 0.371745 O\n0.164045 0.225421 0.727597 O\n0.149876 0.238842 0.536621 O\n0.225421 0.164045 0.227597 O\n0.238842 0.149876 0.036621 O\n0.208782 0.042535 0.883876 O\n0.042535 0.208782 0.383876 O\n0.765329 0.360667 0.931559 O\n0.360667 0.765329 0.431559 O\n0.101757 0.982733 0.794377 O\n0.862756 0.227988 0.494319 O\n0.982733 0.101757 0.294377 O\n0.447519 0.602511 0.657200 O\n0.227988 0.862756 0.994319 O\n0.602511 0.447519 0.157200 O\n","nsites":56,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.601595347808356,"density_atomic":0.0702704493862993,"volume":796.9210456041053,"volume_molar":8.569947698632681,"formula_full":"Li4 Fe6 P10 O36","formula_reduced":"Li2Fe3P5O18","formula_anonymous":"A2B3C5D18","energy":-425.94195607,"energy_per_atom":-7.606106358392857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-387.67395607,"band_gap":1.618,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:26.613000Z","spacegroup":15},{"id":"mp-1196009","created_at":"2022-09-04T14:41:55.127517Z","structure_string":"Mn6 Sb10 I6 O18\n1.0\n8.310934 0.000000 0.000000\n3.100659 8.636155 0.000000\n1.040967 2.305014 12.306190\nMn Sb I O\n6 10 6 18\ndirect\n0.708486 0.988715 0.353178 Mn\n0.291514 0.011285 0.646822 Mn\n0.023500 0.967623 0.128767 Mn\n0.976500 0.032377 0.871233 Mn\n0.610491 0.090794 0.068279 Mn\n0.389509 0.909206 0.931721 Mn\n0.881543 0.181543 0.499797 Sb\n0.118457 0.818457 0.500203 Sb\n0.245218 0.156184 0.256699 Sb\n0.754782 0.843816 0.743301 Sb\n0.527587 0.211083 0.758060 Sb\n0.472413 0.788917 0.241940 Sb\n0.186203 0.266872 0.982555 Sb\n0.813797 0.733128 0.017445 Sb\n0.793157 0.319703 0.202989 Sb\n0.206843 0.680297 0.797011 Sb\n0.716469 0.358440 0.925180 I\n0.283531 0.641560 0.074820 I\n0.904589 0.675949 0.313431 I\n0.095411 0.324051 0.686569 I\n0.490868 0.294887 0.424236 I\n0.509132 0.705113 0.575764 I\n0.146964 0.062777 0.981545 O\n0.853036 0.937223 0.018455 O\n0.862706 0.970084 0.482834 O\n0.137294 0.029916 0.517166 O\n0.776191 0.109054 0.196840 O\n0.223809 0.890946 0.803160 O\n0.436126 0.143838 0.907636 O\n0.563874 0.856162 0.092364 O\n0.777432 0.053926 0.767956 O\n0.222568 0.946074 0.232044 O\n0.503570 0.024634 0.708985 O\n0.496430 0.975366 0.291015 O\n0.030991 0.255251 0.137131 O\n0.969009 0.744749 0.862869 O\n0.073346 0.764363 0.657990 O\n0.926654 0.235637 0.342010 O\n0.646501 0.799301 0.893481 O\n0.353499 0.200699 0.106519 O\n","nsites":40,"nelements":4,"elements":["Mn","Sb","I","O"],"chemical_system":"I-Mn-O-Sb","density":4.8816617067158585,"density_atomic":0.04528622432255298,"volume":883.2708091338852,"volume_molar":13.297952854508377,"formula_full":"Mn6 Sb10 I6 O18","formula_reduced":"Mn3Sb5(IO3)3","formula_anonymous":"A3B3C5D9","energy":-260.89310955,"energy_per_atom":-6.5223277387500005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-236.24510955,"band_gap":0.7864000000000004,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:28.303000Z","spacegroup":2},{"id":"mp-778215","created_at":"2022-09-04T14:42:27.396117Z","structure_string":"Li6 Mn1 V3 P6 O24\n1.0\n7.989043 -4.241435 0.000000\n7.989043 4.241435 0.000000\n5.737238 0.000000 6.992760\nLi Mn V P O\n6 1 3 6 24\ndirect\n0.267060 0.922086 0.661538 Li\n0.922086 0.661538 0.267060 Li\n0.661538 0.267060 0.922086 Li\n0.331169 0.741137 0.075780 Li\n0.075780 0.331169 0.741137 Li\n0.741137 0.075780 0.331169 Li\n0.145884 0.145884 0.145884 Mn\n0.651388 0.651388 0.651388 V\n0.853868 0.853868 0.853868 V\n0.348997 0.348997 0.348997 V\n0.957853 0.249159 0.542456 P\n0.542456 0.957853 0.249159 P\n0.249159 0.542456 0.957853 P\n0.745672 0.462237 0.041268 P\n0.462237 0.041268 0.745672 P\n0.041268 0.745672 0.462237 P\n0.154976 0.208507 0.539035 O\n0.831860 0.463987 0.514555 O\n0.514555 0.831860 0.463987 O\n0.539035 0.154976 0.208507 O\n0.208507 0.539035 0.154976 O\n0.985882 0.201380 0.393087 O\n0.749673 0.864240 0.120896 O\n0.393087 0.985882 0.201380 O\n0.463987 0.514555 0.831860 O\n0.120896 0.749673 0.864240 O\n0.201380 0.393087 0.985882 O\n0.864240 0.120896 0.749673 O\n0.133841 0.868079 0.259545 O\n0.800548 0.617263 0.002937 O\n0.868079 0.259545 0.133841 O\n0.529984 0.499104 0.165286 O\n0.617263 0.002937 0.800548 O\n0.259545 0.133841 0.868079 O\n0.002937 0.800548 0.617263 O\n0.786153 0.467359 0.844260 O\n0.467359 0.844260 0.786153 O\n0.499104 0.165286 0.529984 O\n0.165286 0.529984 0.499104 O\n0.844260 0.786153 0.467359 O\n","nsites":40,"nelements":5,"elements":["Li","Mn","V","P","O"],"chemical_system":"Li-Mn-O-P-V","density":2.8705975695343375,"density_atomic":0.08440609301950383,"volume":473.89943745834967,"volume_molar":7.134722796147496,"formula_full":"Li6 Mn1 V3 P6 O24","formula_reduced":"Li6MnV3(PO4)6","formula_anonymous":"AB3C6D6E24","energy":-306.16547652,"energy_per_atom":-7.654136913,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-282.90947652,"band_gap":0.1364,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.659000Z","spacegroup":146},{"id":"mp-1177909","created_at":"2022-09-04T14:42:22.954041Z","structure_string":"Li4 Mn2 V2 P6 O24\n1.0\n8.946611 -0.283430 0.215366\n-0.286968 8.578178 0.070813\n3.676359 4.183878 6.168467\nLi Mn V P O\n4 2 2 6 24\ndirect\n0.149492 0.078364 0.584770 Li\n0.578686 0.692374 0.724416 Li\n0.915928 0.972012 0.297201 Li\n0.850891 0.257946 0.824721 Li\n0.055857 0.365738 0.291830 Mn\n0.948636 0.646194 0.702025 Mn\n0.559722 0.850539 0.294400 V\n0.430234 0.151622 0.712549 V\n0.251446 0.030503 0.219194 P\n0.243787 0.452676 0.506030 P\n0.251301 0.758451 0.782644 P\n0.749272 0.252883 0.218716 P\n0.753311 0.543848 0.493306 P\n0.742885 0.970824 0.785416 P\n0.077732 0.841598 0.384958 O\n0.269160 0.111895 0.996227 O\n0.220480 0.168351 0.285082 O\n0.228221 0.493088 0.312878 O\n0.082602 0.450144 0.683635 O\n0.112453 0.792994 0.718029 O\n0.417787 0.982883 0.207798 O\n0.269268 0.258281 0.612991 O\n0.417987 0.615517 0.403091 O\n0.205493 0.553567 0.970511 O\n0.274844 0.907440 0.831150 O\n0.436884 0.805460 0.587003 O\n0.571724 0.202486 0.418142 O\n0.730387 0.105136 0.161403 O\n0.802851 0.456273 0.020615 O\n0.568881 0.388307 0.610988 O\n0.724430 0.740909 0.406892 O\n0.581801 0.025422 0.793216 O\n0.897922 0.219678 0.268884 O\n0.901656 0.540147 0.316346 O\n0.773842 0.498286 0.688659 O\n0.765302 0.828727 0.723570 O\n0.722290 0.893551 0.010412 O\n0.918779 0.158500 0.622359 O\n","nsites":38,"nelements":5,"elements":["Li","Mn","V","P","O"],"chemical_system":"Li-Mn-O-P-V","density":2.9019288555758447,"density_atomic":0.08205106300226703,"volume":463.1262363895283,"volume_molar":7.339503645228351,"formula_full":"Li4 Mn2 V2 P6 O24","formula_reduced":"Li2MnV(PO4)3","formula_anonymous":"ABC2D3E12","energy":-293.69292117,"energy_per_atom":-7.728761083421052,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-270.46892117,"band_gap":0.9035,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:50.341000Z","spacegroup":1},{"id":"mp-8695","created_at":"2022-09-04T14:45:25.279864Z","structure_string":"Mn2 P2 Se6\n1.0\n7.723312 -3.206174 0.000000\n7.723312 3.206174 0.000000\n6.392335 0.000000 5.391397\nMn P Se\n2 2 6\ndirect\n0.166966 0.166966 0.166966 Mn\n0.833034 0.833034 0.833034 Mn\n0.450238 0.450238 0.450238 P\n0.549762 0.549762 0.549762 P\n0.576899 0.241611 0.909424 Se\n0.909424 0.576899 0.241611 Se\n0.241611 0.909424 0.576899 Se\n0.423101 0.758389 0.090576 Se\n0.090576 0.423101 0.758389 Se\n0.758389 0.090576 0.423101 Se\n","nsites":10,"nelements":3,"elements":["Mn","P","Se"],"chemical_system":"Mn-P-Se","density":4.014945186219659,"density_atomic":0.03745225953559409,"volume":267.0065871592111,"volume_molar":16.07951251719978,"formula_full":"Mn2 P2 Se6","formula_reduced":"MnPSe3","formula_anonymous":"ABC3","energy":-55.53324787,"energy_per_atom":-5.553324786999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-52.70124787,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:57.636000Z","spacegroup":148},{"id":"mp-863316","created_at":"2022-09-04T14:46:34.668836Z","structure_string":"Fe2 O6\n1.0\n1.428492 7.734757 0.000000\n-1.428492 7.734757 0.000000\n0.000000 2.148451 5.563319\nFe O\n2 6\ndirect\n0.187499 0.187499 0.718297 Fe\n0.812501 0.812501 0.281703 Fe\n0.678740 0.678740 0.923331 O\n0.325205 0.325205 0.485045 O\n0.321260 0.321260 0.076669 O\n0.981652 0.981652 0.110577 O\n0.018348 0.018348 0.889423 O\n0.674795 0.674795 0.514955 O\n","nsites":8,"nelements":2,"elements":["Fe","O"],"chemical_system":"Fe-O","density":2.8052315225420443,"density_atomic":0.06507310675701573,"volume":122.93865159799667,"volume_molar":9.254423309596687,"formula_full":"Fe2 O6","formula_reduced":"FeO3","formula_anonymous":"AB3","energy":-50.84029249,"energy_per_atom":-6.35503656125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.36229249,"band_gap":0.3050999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:28.401000Z","spacegroup":12},{"id":"mp-757250","created_at":"2022-09-04T14:46:31.282409Z","structure_string":"Li12 Mn6 Si12 O36\n1.0\n7.227428 0.000000 0.000000\n0.000000 10.081343 0.000000\n0.000000 0.000000 10.304252\nLi Mn Si O\n12 6 12 36\ndirect\n0.782202 0.243901 0.000000 Li\n0.761480 0.762617 0.000000 Li\n0.286400 0.451752 0.233396 Li\n0.222248 0.041289 0.237689 Li\n0.777752 0.541289 0.262311 Li\n0.713600 0.951752 0.266604 Li\n0.238520 0.262617 0.500000 Li\n0.217798 0.743901 0.500000 Li\n0.713600 0.951752 0.733396 Li\n0.777752 0.541289 0.737689 Li\n0.222248 0.041289 0.762311 Li\n0.286400 0.451752 0.766604 Li\n0.251724 0.246698 0.000000 Mn\n0.981449 0.011883 0.000000 Mn\n0.521829 0.480064 0.000000 Mn\n0.018551 0.511883 0.500000 Mn\n0.478171 0.980064 0.500000 Mn\n0.748276 0.746698 0.500000 Mn\n0.988021 0.527121 0.000000 Si\n0.512807 0.968667 0.000000 Si\n0.024854 0.747539 0.224810 Si\n0.474282 0.748871 0.224992 Si\n0.525718 0.248871 0.275008 Si\n0.975146 0.247539 0.275190 Si\n0.487193 0.468667 0.500000 Si\n0.011979 0.027121 0.500000 Si\n0.975146 0.247539 0.724810 Si\n0.525718 0.248871 0.724992 Si\n0.474282 0.748871 0.775008 Si\n0.024854 0.747539 0.775190 Si\n0.302881 0.025216 0.000000 O\n0.687820 0.068522 0.000000 O\n0.196549 0.469641 0.000000 O\n0.812014 0.428372 0.000000 O\n0.042431 0.188125 0.136425 O\n0.552601 0.862822 0.121344 O\n0.949424 0.630538 0.123546 O\n0.449076 0.309112 0.139338 O\n0.942524 0.888039 0.173297 O\n0.543503 0.602974 0.179019 O\n0.751031 0.256000 0.278545 O\n0.248969 0.756000 0.221455 O\n0.456497 0.102974 0.320981 O\n0.057476 0.388039 0.326703 O\n0.550924 0.809112 0.360662 O\n0.050576 0.130538 0.376454 O\n0.447399 0.362822 0.378656 O\n0.957569 0.688125 0.363575 O\n0.697119 0.525216 0.500000 O\n0.312180 0.568522 0.500000 O\n0.187986 0.928372 0.500000 O\n0.803451 0.969641 0.500000 O\n0.957569 0.688125 0.636425 O\n0.447399 0.362822 0.621344 O\n0.050576 0.130538 0.623546 O\n0.550924 0.809112 0.639338 O\n0.057476 0.388039 0.673297 O\n0.456497 0.102974 0.679019 O\n0.248969 0.756000 0.778545 O\n0.751031 0.256000 0.721455 O\n0.543503 0.602974 0.820981 O\n0.942524 0.888039 0.826703 O\n0.449076 0.309112 0.860662 O\n0.949424 0.630538 0.876454 O\n0.552601 0.862822 0.878656 O\n0.042431 0.188125 0.863575 O\n","nsites":66,"nelements":4,"elements":["Li","Mn","Si","O"],"chemical_system":"Li-Mn-O-Si","density":2.932576245439255,"density_atomic":0.08790737247596854,"volume":750.7902709530147,"volume_molar":6.850552565026658,"formula_full":"Li12 Mn6 Si12 O36","formula_reduced":"Li2Mn(SiO3)2","formula_anonymous":"AB2C2D6","energy":-504.2892907,"energy_per_atom":-7.640746828787878,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-469.5492907,"band_gap":2.6074,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":10.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.345000Z","spacegroup":31}]}