{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=12162","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_magnetic&page=12160","results":[{"id":"mp-1206579","created_at":"2022-09-04T14:43:50.002740Z","structure_string":"La2 Mn1 P2 O1\n1.0\n7.264247 0.000000 0.000000\n0.000000 7.264247 0.000000\n0.000000 0.000000 14.204498\nLa Mn P O\n2 1 2 1\ndirect\n0.500000 0.500000 0.653898 La\n0.500000 0.500000 0.346102 La\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.165511 P\n0.500000 0.500000 0.834489 P\n0.500000 0.500000 0.500000 O\n","nsites":6,"nelements":4,"elements":["La","Mn","P","O"],"chemical_system":"La-Mn-O-P","density":0.9098344540710748,"density_atomic":0.008004683318051624,"volume":749.5611958151054,"volume_molar":75.23271715720814,"formula_full":"La2 Mn1 P2 O1","formula_reduced":"La2MnP2O","formula_anonymous":"ABC2D2","energy":-34.86339328,"energy_per_atom":-5.810565546666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-32.50839328,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.6977259,"is_theoretical":true,"updated_at":"2021-11-28T01:36:24.393000Z","spacegroup":123},{"id":"mp-1100901","created_at":"2022-09-04T14:43:17.488811Z","structure_string":"Yb2 V8 O16\n1.0\n6.002906 -0.832851 -2.681614\n-0.918381 8.510527 1.195441\n-1.019025 1.079271 9.099329\nYb V O\n2 8 16\ndirect\n0.269525 0.754973 0.148126 Yb\n0.730475 0.245027 0.851874 Yb\n0.182752 0.508082 0.854071 V\n0.216702 0.041062 0.649038 V\n0.182380 0.429175 0.492937 V\n0.357341 0.160517 0.023949 V\n0.642659 0.839483 0.976051 V\n0.817620 0.570825 0.507063 V\n0.783298 0.958938 0.350962 V\n0.817248 0.491918 0.145929 V\n0.143722 0.287956 0.971375 O\n0.214990 0.029925 0.858390 O\n0.385789 0.682236 0.985136 O\n0.358813 0.257965 0.612624 O\n0.175117 0.551804 0.638052 O\n0.106540 0.895964 0.511792 O\n0.448761 0.014454 0.213394 O\n0.161721 0.506813 0.272752 O\n0.838279 0.493187 0.727248 O\n0.551239 0.985546 0.786606 O\n0.893460 0.104036 0.488208 O\n0.824883 0.448196 0.361948 O\n0.641187 0.742035 0.387376 O\n0.614211 0.317764 0.014864 O\n0.785010 0.970075 0.141610 O\n0.856278 0.712044 0.028625 O\n","nsites":26,"nelements":3,"elements":["Yb","V","O"],"chemical_system":"O-V-Yb","density":3.8935747522817286,"density_atomic":0.06038407157848162,"volume":430.577126058941,"volume_molar":9.973061773704643,"formula_full":"Yb2 V8 O16","formula_reduced":"YbV4O8","formula_anonymous":"AB4C8","energy":-220.29415341,"energy_per_atom":-8.472852054230769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-195.70215341,"band_gap":0.8531,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9997724,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.338000Z","spacegroup":2},{"id":"mp-1176939","created_at":"2022-09-04T14:43:17.468490Z","structure_string":"Li6 V3 Fe1 P6 O24\n1.0\n8.628154 -0.258359 -0.168403\n4.355182 7.453703 -0.192750\n4.363726 2.395231 7.074584\nLi V Fe P O\n6 3 1 6 24\ndirect\n0.025341 0.006144 0.996950 Li\n0.750236 0.152964 0.347772 Li\n0.474132 0.502345 0.490579 Li\n0.243157 0.846981 0.657280 Li\n0.660253 0.240117 0.846299 Li\n0.844628 0.662155 0.241415 Li\n0.144126 0.145127 0.137985 V\n0.356183 0.362345 0.355181 V\n0.644511 0.646065 0.645949 V\n0.851799 0.850245 0.852430 Fe\n0.047139 0.750975 0.450677 P\n0.452805 0.051009 0.747982 P\n0.750029 0.453063 0.047035 P\n0.248868 0.544786 0.957811 P\n0.545462 0.961353 0.249022 P\n0.956102 0.247824 0.540730 P\n0.125994 0.288801 0.502383 O\n0.299172 0.513098 0.119181 O\n0.045820 0.921266 0.269970 O\n0.528141 0.120712 0.297819 O\n0.237940 0.593994 0.429468 O\n0.013955 0.805601 0.613871 O\n0.262587 0.070415 0.905737 O\n0.454706 0.232488 0.579060 O\n0.594220 0.432766 0.240828 O\n0.199822 0.382900 0.987598 O\n0.086812 0.736960 0.934423 O\n0.375049 0.000171 0.208743 O\n0.612531 0.013179 0.809780 O\n0.905288 0.259406 0.070985 O\n0.809296 0.612149 0.014095 O\n0.408504 0.572179 0.764387 O\n0.571444 0.768387 0.406404 O\n0.733958 0.936993 0.083733 O\n0.972559 0.202233 0.380056 O\n0.765506 0.410061 0.570665 O\n0.488037 0.889445 0.689646 O\n0.933559 0.086319 0.731076 O\n0.692536 0.485250 0.889193 O\n0.887792 0.690733 0.486797 O\n","nsites":40,"nelements":5,"elements":["Li","V","Fe","P","O"],"chemical_system":"Fe-Li-O-P-V","density":2.8923239511969525,"density_atomic":0.0849508814531057,"volume":470.8603291194885,"volume_molar":7.088967950643716,"formula_full":"Li6 V3 Fe1 P6 O24","formula_reduced":"Li6V3Fe(PO4)6","formula_anonymous":"AB3C6D6E24","energy":-303.54141088,"energy_per_atom":-7.588535272,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-279.69741088,"band_gap":1.6169000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.543000Z","spacegroup":1},{"id":"mp-772286","created_at":"2022-09-04T14:43:17.475407Z","structure_string":"Li12 Fe12 P12 O48\n1.0\n7.816248 0.000000 0.000000\n0.000000 8.895361 0.000000\n0.000000 8.640487 15.396926\nLi Fe P O\n12 12 12 48\ndirect\n0.005359 0.784141 0.929132 Li\n0.988430 0.154882 0.581414 Li\n0.155864 0.498652 0.249719 Li\n0.655864 0.501348 0.250281 Li\n0.488430 0.845118 0.918586 Li\n0.505359 0.215859 0.570868 Li\n0.494641 0.784141 0.429132 Li\n0.511570 0.154882 0.081414 Li\n0.344136 0.498652 0.749719 Li\n0.844136 0.501348 0.750281 Li\n0.011570 0.845118 0.418586 Li\n0.994641 0.215859 0.070868 Li\n0.668792 0.136566 0.406669 Fe\n0.831930 0.811464 0.768975 Fe\n0.667841 0.527425 0.075453 Fe\n0.167841 0.472575 0.424547 Fe\n0.331930 0.188536 0.731025 Fe\n0.168792 0.863434 0.093331 Fe\n0.831208 0.136566 0.906669 Fe\n0.668070 0.811464 0.268975 Fe\n0.832159 0.527425 0.575453 Fe\n0.332159 0.472575 0.924547 Fe\n0.168070 0.188536 0.231025 Fe\n0.331208 0.863434 0.593331 Fe\n0.247245 0.141710 0.406665 P\n0.243425 0.806170 0.775511 P\n0.250637 0.547190 0.070575 P\n0.750637 0.452810 0.429425 P\n0.743425 0.193830 0.724489 P\n0.747245 0.858290 0.093335 P\n0.252755 0.141710 0.906665 P\n0.256575 0.806170 0.275511 P\n0.249363 0.547190 0.570575 P\n0.749363 0.452810 0.929425 P\n0.756575 0.193830 0.224489 P\n0.752755 0.858290 0.593335 P\n0.423993 0.076884 0.394123 O\n0.887091 0.921127 0.636902 O\n0.384828 0.737030 0.846845 O\n0.207942 0.072992 0.504820 O\n0.798287 0.573214 0.967166 O\n0.740422 0.284996 0.280471 O\n0.248886 0.435400 0.171596 O\n0.070174 0.761676 0.825191 O\n0.429888 0.629045 0.036794 O\n0.256409 0.001540 0.709606 O\n0.122367 0.698654 0.041454 O\n0.238032 0.342675 0.361372 O\n0.738032 0.657325 0.138628 O\n0.622367 0.301346 0.458546 O\n0.756409 0.998460 0.790394 O\n0.929888 0.370955 0.463206 O\n0.570174 0.238324 0.674809 O\n0.748886 0.564600 0.328404 O\n0.240422 0.715004 0.219529 O\n0.298287 0.426786 0.532834 O\n0.707942 0.927008 0.995180 O\n0.884828 0.262970 0.653155 O\n0.387091 0.078873 0.863098 O\n0.923993 0.923116 0.105877 O\n0.076007 0.076884 0.894123 O\n0.612909 0.921127 0.136902 O\n0.115172 0.737030 0.346845 O\n0.292058 0.072992 0.004820 O\n0.701713 0.573214 0.467166 O\n0.759578 0.284996 0.780471 O\n0.251114 0.435400 0.671596 O\n0.429826 0.761676 0.325191 O\n0.070112 0.629045 0.536794 O\n0.243591 0.001540 0.209606 O\n0.377633 0.698654 0.541454 O\n0.261968 0.342675 0.861372 O\n0.761968 0.657325 0.638628 O\n0.743591 0.998460 0.290394 O\n0.877633 0.301346 0.958546 O\n0.570112 0.370955 0.963206 O\n0.929826 0.238324 0.174809 O\n0.751114 0.564600 0.828404 O\n0.259578 0.715004 0.719529 O\n0.201713 0.426786 0.032834 O\n0.792058 0.927008 0.495180 O\n0.615172 0.262970 0.153155 O\n0.112909 0.078873 0.363098 O\n0.576007 0.923116 0.605877 O\n","nsites":84,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.9364597216794657,"density_atomic":0.07846633268560049,"volume":1070.5228232925303,"volume_molar":7.674808486500266,"formula_full":"Li12 Fe12 P12 O48","formula_reduced":"LiFePO4","formula_anonymous":"ABCD4","energy":-629.93336937,"energy_per_atom":-7.499206778214286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-569.88536937,"band_gap":3.6118,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":48.2069589,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.592000Z","spacegroup":14},{"id":"mp-689964","created_at":"2022-09-04T14:43:17.492889Z","structure_string":"Co4 P8 O28\n1.0\n8.704865 0.000000 0.000000\n0.000000 6.963336 0.000000\n0.000000 2.897269 8.905260\nCo P O\n4 8 28\ndirect\n0.073749 0.677182 0.204989 Co\n0.426251 0.677182 0.704989 Co\n0.573749 0.322818 0.295011 Co\n0.926251 0.322818 0.795011 Co\n0.711277 0.522491 0.531204 P\n0.250292 0.090111 0.244179 P\n0.750292 0.909889 0.255821 P\n0.249708 0.090111 0.744179 P\n0.788723 0.522491 0.031204 P\n0.749708 0.909889 0.755821 P\n0.211277 0.477509 0.968796 P\n0.288723 0.477509 0.468796 P\n0.129841 0.496119 0.386028 O\n0.209799 0.256641 0.086708 O\n0.270172 0.886202 0.716265 O\n0.087778 0.129411 0.790455 O\n0.870159 0.503881 0.613972 O\n0.790201 0.743359 0.913292 O\n0.205900 0.637215 0.050136 O\n0.919209 0.515352 0.140156 O\n0.587778 0.870589 0.709545 O\n0.705900 0.362785 0.449864 O\n0.370159 0.496119 0.886028 O\n0.872966 0.902942 0.640431 O\n0.629841 0.503881 0.113972 O\n0.729828 0.113798 0.283735 O\n0.419209 0.484648 0.359844 O\n0.794100 0.362785 0.949864 O\n0.912222 0.870589 0.209545 O\n0.229828 0.886202 0.216265 O\n0.127034 0.097058 0.359569 O\n0.580791 0.515352 0.640156 O\n0.290201 0.256641 0.586708 O\n0.294100 0.637215 0.550136 O\n0.080791 0.484648 0.859844 O\n0.412222 0.129411 0.290455 O\n0.709799 0.743359 0.413292 O\n0.627034 0.902942 0.140431 O\n0.770172 0.113798 0.783735 O\n0.372966 0.097058 0.859569 O\n","nsites":40,"nelements":3,"elements":["Co","P","O"],"chemical_system":"Co-O-P","density":2.8655553000000595,"density_atomic":0.07410269378909756,"volume":539.7914428568998,"volume_molar":8.126750124819369,"formula_full":"Co4 P8 O28","formula_reduced":"CoP2O7","formula_anonymous":"AB2C7","energy":-291.88280215000003,"energy_per_atom":-7.297070053750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-266.09480215,"band_gap":0.1371,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0162478,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.021000Z","spacegroup":14},{"id":"mp-767572","created_at":"2022-09-04T14:43:39.613241Z","structure_string":"Li8 Mn4 F20\n1.0\n6.352483 0.000000 0.000000\n0.000000 6.916655 0.000000\n0.000000 0.000000 9.878844\nLi Mn F\n8 4 20\ndirect\n0.762018 0.253909 0.046234 Li\n0.239203 0.548643 0.175265 Li\n0.739203 0.048643 0.324735 Li\n0.262018 0.753909 0.453766 Li\n0.737982 0.253909 0.546234 Li\n0.260797 0.548643 0.675265 Li\n0.760797 0.048643 0.824735 Li\n0.237982 0.753909 0.953766 Li\n0.740565 0.737273 0.092085 Mn\n0.240565 0.237273 0.407915 Mn\n0.759435 0.737273 0.592085 Mn\n0.259435 0.237273 0.907915 Mn\n0.035975 0.729119 0.098577 F\n0.445474 0.730998 0.097140 F\n0.246194 0.299549 0.106455 F\n0.740062 0.477110 0.141883 F\n0.741822 0.014017 0.137880 F\n0.240062 0.977110 0.358117 F\n0.241822 0.514017 0.362120 F\n0.746194 0.799549 0.393545 F\n0.945474 0.230998 0.402860 F\n0.535975 0.229119 0.401423 F\n0.464025 0.729119 0.598577 F\n0.054526 0.730998 0.597140 F\n0.253806 0.299549 0.606455 F\n0.759938 0.477110 0.641883 F\n0.758178 0.014017 0.637880 F\n0.259938 0.977110 0.858117 F\n0.258178 0.514017 0.862120 F\n0.753806 0.799549 0.893545 F\n0.554526 0.230998 0.902860 F\n0.964025 0.229119 0.901423 F\n","nsites":32,"nelements":3,"elements":["Li","Mn","F"],"chemical_system":"F-Li-Mn","density":2.506739534917133,"density_atomic":0.07372320812516849,"volume":434.0559887962264,"volume_molar":8.168582069537058,"formula_full":"Li8 Mn4 F20","formula_reduced":"Li2MnF5","formula_anonymous":"AB2C5","energy":-184.0852503,"energy_per_atom":-5.752664071875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-168.1732503,"band_gap":1.5265000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.001528,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.591000Z","spacegroup":33},{"id":"mp-1177126","created_at":"2022-09-04T14:43:41.484347Z","structure_string":"Li10 V6 P16 O58\n1.0\n4.902251 8.440893 0.000000\n-4.902251 8.440893 0.000000\n0.000000 0.183237 14.089706\nLi V P O\n10 6 16 58\ndirect\n0.101214 0.657209 0.061235 Li\n0.238299 0.660448 0.559876 Li\n0.091790 0.232220 0.557883 Li\n0.232220 0.091790 0.057883 Li\n0.660448 0.238299 0.059876 Li\n0.334347 0.897919 0.440086 Li\n0.657209 0.101214 0.561235 Li\n0.897919 0.334347 0.940086 Li\n0.021692 0.953165 0.996364 Li\n0.953165 0.021692 0.496364 Li\n0.436227 0.999700 0.245138 V\n0.564393 0.995114 0.754685 V\n0.436909 0.562001 0.752062 V\n0.562001 0.436909 0.252062 V\n0.995114 0.564393 0.254685 V\n0.999700 0.436227 0.745138 V\n0.087889 0.683866 0.843556 P\n0.228570 0.683403 0.343240 P\n0.088048 0.219692 0.342836 P\n0.333688 0.335790 0.130131 P\n0.335790 0.333688 0.630131 P\n0.219692 0.088048 0.842836 P\n0.313344 0.910317 0.659716 P\n0.683403 0.228570 0.843240 P\n0.306958 0.776042 0.158626 P\n0.683866 0.087889 0.343556 P\n0.781833 0.913802 0.160861 P\n0.662513 0.667417 0.367958 P\n0.667417 0.662513 0.867958 P\n0.913802 0.781833 0.660861 P\n0.776042 0.306958 0.658626 P\n0.910317 0.313344 0.159716 P\n0.012454 0.790603 0.579542 O\n0.087499 0.655656 0.336800 O\n0.200402 0.787802 0.079803 O\n0.259121 0.655140 0.828133 O\n0.086338 0.529781 0.830397 O\n0.188329 0.488721 0.169358 O\n0.087854 0.375971 0.331155 O\n0.998970 0.227095 0.071107 O\n0.077253 0.257869 0.831704 O\n0.328306 0.482329 0.673532 O\n0.383799 0.525229 0.326564 O\n0.189171 0.319633 0.666027 O\n0.342528 0.335929 0.024135 O\n0.335929 0.342528 0.524135 O\n0.319633 0.189171 0.166027 O\n0.525229 0.383799 0.826564 O\n0.482329 0.328306 0.173532 O\n0.257869 0.077253 0.331704 O\n0.203870 0.993223 0.751765 O\n0.227095 0.998970 0.571107 O\n0.201937 0.015462 0.932450 O\n0.375971 0.087854 0.831155 O\n0.488721 0.188329 0.669358 O\n0.341129 0.915009 0.154870 O\n0.529781 0.086338 0.330397 O\n0.655140 0.259121 0.328133 O\n0.211489 0.800486 0.257902 O\n0.231957 0.761762 0.433945 O\n0.787802 0.200402 0.579803 O\n0.340257 0.738870 0.659755 O\n0.469230 0.909042 0.671175 O\n0.655656 0.087499 0.836800 O\n0.509664 0.811364 0.327574 O\n0.621403 0.917191 0.170614 O\n0.790603 0.012454 0.079542 O\n0.768491 0.020779 0.436504 O\n0.805018 0.984114 0.259316 O\n0.745254 0.917181 0.658878 O\n0.519845 0.663288 0.817182 O\n0.460388 0.615665 0.169116 O\n0.667619 0.809234 0.824156 O\n0.653929 0.659580 0.973118 O\n0.659580 0.653929 0.473118 O\n0.809234 0.667619 0.324156 O\n0.615665 0.460388 0.669116 O\n0.663288 0.519845 0.317182 O\n0.917181 0.745254 0.158878 O\n0.984114 0.805018 0.759316 O\n0.020779 0.768491 0.936504 O\n0.917191 0.621403 0.670614 O\n0.811364 0.509664 0.827574 O\n0.909042 0.469230 0.171175 O\n0.738870 0.340257 0.159755 O\n0.761762 0.231957 0.933945 O\n0.800486 0.211489 0.757902 O\n0.915009 0.341129 0.654870 O\n0.015462 0.201937 0.432450 O\n0.993223 0.203870 0.251765 O\n","nsites":90,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.5613497290755567,"density_atomic":0.07718388663019686,"volume":1166.0464888378535,"volume_molar":7.802328987205915,"formula_full":"Li10 V6 P16 O58","formula_reduced":"Li5V3P8O29","formula_anonymous":"A3B5C8D29","energy":-680.5600694200001,"energy_per_atom":-7.5617785491111125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-630.51406942,"band_gap":0.0706,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0013948,"is_theoretical":true,"updated_at":"2021-11-28T01:36:12.107000Z","spacegroup":9},{"id":"mp-776654","created_at":"2022-09-04T14:43:22.392390Z","structure_string":"Li7 V5 O12\n1.0\n4.359414 2.617969 0.000000\n-4.359414 2.617969 0.000000\n0.000000 1.369219 9.558024\nLi V O\n7 5 12\ndirect\n0.757261 0.242739 0.000000 Li\n0.846540 0.666588 0.755080 Li\n0.676875 0.854273 0.244246 Li\n0.333412 0.153460 0.244920 Li\n0.145727 0.323125 0.755754 Li\n0.247248 0.752752 0.500000 Li\n0.080604 0.919396 0.000000 Li\n0.917484 0.082516 0.500000 V\n0.997365 0.510826 0.238616 V\n0.489174 0.002635 0.761384 V\n0.575738 0.424262 0.500000 V\n0.424619 0.575381 0.000000 V\n0.065834 0.242993 0.121481 O\n0.757007 0.934166 0.878519 O\n0.840685 0.347448 0.628395 O\n0.652552 0.159315 0.371605 O\n0.723945 0.536901 0.129480 O\n0.463099 0.276055 0.870520 O\n0.559575 0.740044 0.620798 O\n0.259956 0.440425 0.379202 O\n0.352802 0.833289 0.133277 O\n0.166711 0.647198 0.866723 O\n0.226938 0.061152 0.622167 O\n0.938848 0.773062 0.377833 O\n","nsites":24,"nelements":3,"elements":["Li","V","O"],"chemical_system":"Li-O-V","density":3.76977615412544,"density_atomic":0.11000704912084874,"volume":218.16783735044734,"volume_molar":5.47432260762158,"formula_full":"Li7 V5 O12","formula_reduced":"Li7V5O12","formula_anonymous":"A5B7C12","energy":-177.24660661,"energy_per_atom":-7.385275275416666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-160.50260661,"band_gap":0.8826,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.000183,"is_theoretical":true,"updated_at":"2021-11-28T01:36:17.708000Z","spacegroup":5},{"id":"mp-1290836","created_at":"2022-09-04T14:43:39.871096Z","structure_string":"K4 Li2 Mn4 O8\n1.0\n0.272548 6.450342 0.126889\n-0.252375 0.146796 6.586073\n6.502468 0.090287 -0.238084\nK Li Mn O\n4 2 4 8\ndirect\n0.978970 0.248690 0.982873 K\n0.021321 0.751369 0.017056 K\n0.500001 0.999935 0.999956 K\n0.999907 0.499691 0.500043 K\n0.353600 0.241143 0.363746 Li\n0.646316 0.758873 0.636407 Li\n0.816849 0.037005 0.413974 Mn\n0.415088 0.471174 0.808189 Mn\n0.585002 0.529019 0.191810 Mn\n0.182773 0.962655 0.585759 Mn\n0.330952 0.427256 0.098845 O\n0.129319 0.043153 0.295242 O\n0.870354 0.956907 0.704605 O\n0.669073 0.573481 0.901459 O\n0.660020 0.284492 0.317671 O\n0.720293 0.741029 0.327322 O\n0.280066 0.258626 0.672857 O\n0.340095 0.715503 0.682188 O\n","nsites":18,"nelements":4,"elements":["K","Li","Mn","O"],"chemical_system":"K-Li-Mn-O","density":3.1216606126961524,"density_atomic":0.06532213966036218,"volume":275.5574158101636,"volume_molar":9.219141919281416,"formula_full":"K4 Li2 Mn4 O8","formula_reduced":"K2LiMn2O4","formula_anonymous":"AB2C2D4","energy":-117.00874956,"energy_per_atom":-6.500486086666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-104.84074956,"band_gap":1.1093000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1e-07,"is_theoretical":true,"updated_at":"2021-11-28T01:36:23.024000Z","spacegroup":2},{"id":"mp-1099329","created_at":"2022-09-04T14:43:22.465663Z","structure_string":"Ce1 Mg6 Ga1\n1.0\n3.212461 -5.695484 0.000000\n3.212461 5.695484 0.000000\n0.000000 0.000000 5.152233\nCe Mg Ga\n1 6 1\ndirect\n0.832494 0.167506 0.500000 Ce\n0.334792 0.169085 0.500000 Mg\n0.830915 0.665208 0.500000 Mg\n0.171980 0.337310 0.000000 Mg\n0.662690 0.828020 0.000000 Mg\n0.664636 0.335364 0.000000 Mg\n0.167494 0.832506 0.000000 Mg\n0.335003 0.664997 0.500000 Ga\n","nsites":8,"nelements":3,"elements":["Ce","Mg","Ga"],"chemical_system":"Ce-Ga-Mg","density":3.132572424734496,"density_atomic":0.04243224366287735,"volume":188.53587058840705,"volume_molar":14.192369387406641,"formula_full":"Ce1 Mg6 Ga1","formula_reduced":"CeMg6Ga","formula_anonymous":"ABC6","energy":-18.5343121,"energy_per_atom":-2.3167890125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.5343121,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.2713661,"is_theoretical":true,"updated_at":"2021-11-28T01:36:16.877000Z","spacegroup":38},{"id":"mp-1180691","created_at":"2022-09-04T14:43:20.740245Z","structure_string":"K4 V4 O16\n1.0\n3.683171 0.000000 0.000000\n0.000000 7.912047 0.000000\n0.000000 0.000000 14.133202\nK V O\n4 4 16\ndirect\n0.250000 0.271210 0.226401 K\n0.250000 0.771210 0.273599 K\n0.750000 0.728790 0.773599 K\n0.750000 0.228790 0.726401 K\n0.250000 0.571545 0.581991 V\n0.250000 0.071545 0.918009 V\n0.750000 0.428455 0.418009 V\n0.750000 0.928455 0.081991 V\n0.250000 0.473334 0.688678 O\n0.250000 0.973334 0.811322 O\n0.750000 0.526666 0.311322 O\n0.750000 0.026666 0.188678 O\n0.250000 0.777092 0.607863 O\n0.250000 0.277092 0.892137 O\n0.750000 0.222908 0.392137 O\n0.750000 0.722908 0.107863 O\n0.250000 0.468293 0.450772 O\n0.250000 0.968293 0.049228 O\n0.750000 0.531707 0.549228 O\n0.750000 0.031707 0.950772 O\n0.250000 0.538392 0.960063 O\n0.250000 0.038392 0.539937 O\n0.750000 0.461608 0.039937 O\n0.750000 0.961608 0.460063 O\n","nsites":24,"nelements":3,"elements":["K","V","O"],"chemical_system":"K-O-V","density":2.4841851494586606,"density_atomic":0.05827200140658667,"volume":411.8616045558923,"volume_molar":10.334535651146002,"formula_full":"K4 V4 O16","formula_reduced":"KVO4","formula_anonymous":"ABC4","energy":-160.53631938,"energy_per_atom":-6.689013307500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.74431938,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0013127,"is_theoretical":false,"updated_at":"2021-11-28T01:36:15.526000Z","spacegroup":62},{"id":"mp-1079754","created_at":"2022-09-04T14:43:20.742954Z","structure_string":"Ni2 P2 Se6\n1.0\n5.338396 3.080181 0.000000\n-5.338396 3.080181 0.000000\n0.000000 2.047523 6.623039\nNi P Se\n2 2 6\ndirect\n0.666649 0.333351 0.000000 Ni\n0.333351 0.666649 0.000000 Ni\n0.056413 0.056413 0.830796 P\n0.943587 0.943587 0.169204 P\n0.718450 0.718450 0.768851 Se\n0.281550 0.281550 0.231149 Se\n0.077244 0.435546 0.768952 Se\n0.435546 0.077244 0.768952 Se\n0.922756 0.564454 0.231048 Se\n0.564454 0.922756 0.231048 Se\n","nsites":10,"nelements":3,"elements":["Ni","P","Se"],"chemical_system":"Ni-P-Se","density":4.979098005074669,"density_atomic":0.0459119425064196,"volume":217.80825323611083,"volume_molar":13.116719596775848,"formula_full":"Ni2 P2 Se6","formula_reduced":"NiPSe3","formula_anonymous":"ABC3","energy":-47.40707723,"energy_per_atom":-4.740707723,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.57507723,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3099678,"is_theoretical":false,"updated_at":"2021-11-28T01:36:11.286000Z","spacegroup":12}]}