{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=13","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-created_at&page=11","results":[{"id":"mp-1175004","created_at":"2022-09-04T14:48:31.135110Z","structure_string":"Li7 Mn2 Co3 O12\n1.0\n2.913098 0.000000 0.000000\n0.000000 8.282899 0.000000\n0.000000 4.049509 8.928713\nLi Mn Co O\n7 2 3 12\ndirect\n0.000000 0.145406 0.669626 Li\n0.000000 0.519459 0.992843 Li\n0.000000 0.836048 0.337157 Li\n0.500000 0.672500 0.148846 Li\n0.500000 0.993280 0.506828 Li\n0.500000 0.332544 0.842100 Li\n0.500000 0.827964 0.835785 Li\n0.000000 0.991632 0.996970 Mn\n0.500000 0.498490 0.503749 Mn\n0.000000 0.327312 0.332447 Co\n0.000000 0.684106 0.675128 Co\n0.500000 0.174569 0.161901 Co\n0.000000 0.768348 0.001026 O\n0.000000 0.097961 0.325634 O\n0.000000 0.430090 0.646350 O\n0.500000 0.267886 0.495114 O\n0.500000 0.583411 0.820169 O\n0.500000 0.929761 0.148906 O\n0.000000 0.565451 0.355045 O\n0.000000 0.906467 0.660036 O\n0.000000 0.232235 0.007716 O\n0.500000 0.074359 0.853607 O\n0.500000 0.411869 0.177954 O\n0.500000 0.728852 0.505061 O\n","nsites":24,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.06390803478044,"density_atomic":0.11139992989364533,"volume":215.4399919543311,"volume_molar":5.405874820342706,"formula_full":"Li7 Mn2 Co3 O12","formula_reduced":"Li7Mn2(CoO4)3","formula_anonymous":"A2B3C7D12","energy":-157.08409259,"energy_per_atom":-6.545170524583334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-140.59009259,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0066466,"is_theoretical":true,"updated_at":"2021-11-28T01:39:59.269000Z","spacegroup":6},{"id":"mp-1209495","created_at":"2022-09-04T14:48:31.133073Z","structure_string":"Re12 Se16 Br12\n1.0\n9.294621 0.000000 0.000000\n1.216807 9.354191 0.000000\n1.475547 1.289093 13.080684\nRe Se Br\n12 16 12\ndirect\n0.690954 0.474275 0.946127 Re\n0.309046 0.525725 0.053873 Re\n0.478827 0.685829 0.933259 Re\n0.521173 0.314171 0.066741 Re\n0.443088 0.423091 0.881304 Re\n0.556912 0.576909 0.118696 Re\n0.888021 0.189462 0.501515 Re\n0.111979 0.810538 0.498485 Re\n0.832541 0.917591 0.507736 Re\n0.167459 0.082409 0.492264 Re\n0.990046 0.985599 0.643266 Re\n0.009954 0.014401 0.356734 Re\n0.601880 0.583757 0.770894 Se\n0.398120 0.416243 0.229106 Se\n0.954952 0.752087 0.371523 Se\n0.045048 0.247913 0.628477 Se\n0.641939 0.221051 0.901665 Se\n0.358061 0.778949 0.098335 Se\n0.282856 0.916510 0.358367 Se\n0.717144 0.083490 0.641633 Se\n0.258069 0.886657 0.629696 Se\n0.741931 0.113343 0.370304 Se\n0.236923 0.628595 0.879346 Se\n0.763077 0.371405 0.120654 Se\n0.934771 0.728151 0.645975 Se\n0.065229 0.271849 0.354025 Se\n0.725245 0.719509 0.990577 Se\n0.274755 0.280491 0.009423 Se\n0.640271 0.679439 0.266448 Br\n0.359729 0.320561 0.733552 Br\n0.976910 0.969495 0.837218 Br\n0.023090 0.030505 0.162782 Br\n0.600482 0.796792 0.515286 Br\n0.399518 0.203208 0.484714 Br\n0.951286 0.423958 0.864543 Br\n0.048714 0.576042 0.135457 Br\n0.449217 0.940698 0.845820 Br\n0.550783 0.059302 0.154180 Br\n0.738357 0.433064 0.503861 Br\n0.261643 0.566936 0.496139 Br\n","nsites":40,"nelements":3,"elements":["Re","Se","Br"],"chemical_system":"Br-Re-Se","density":6.507187870835063,"density_atomic":0.03517155892619522,"volume":1137.2825436579847,"volume_molar":17.122188904498074,"formula_full":"Re12 Se16 Br12","formula_reduced":"Re3Se4Br3","formula_anonymous":"A3B3C4","energy":-254.18060483,"energy_per_atom":-6.3545151207499995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-240.22060483,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0291032,"is_theoretical":true,"updated_at":"2021-11-28T01:39:55.084000Z","spacegroup":2},{"id":"mp-972117","created_at":"2022-09-04T14:48:31.130281Z","structure_string":"Sr4 Te4 O12\n1.0\n7.277201 0.000000 0.000000\n0.000000 6.930232 0.000000\n0.000000 5.261549 7.064170\nSr Te O\n4 4 12\ndirect\n0.627588 0.136397 0.132004 Sr\n0.127588 0.863603 0.367996 Sr\n0.372412 0.863603 0.867996 Sr\n0.872412 0.136397 0.632004 Sr\n0.830393 0.629888 0.105505 Te\n0.330393 0.370112 0.394495 Te\n0.169607 0.370112 0.894495 Te\n0.669607 0.629888 0.605505 Te\n0.818709 0.910764 0.479815 O\n0.318709 0.089236 0.020185 O\n0.181291 0.089236 0.520185 O\n0.681291 0.910764 0.979815 O\n0.906105 0.606183 0.321887 O\n0.406105 0.393817 0.178113 O\n0.093895 0.393817 0.678113 O\n0.593895 0.606183 0.821887 O\n0.031131 0.779309 0.938402 O\n0.531131 0.220691 0.561598 O\n0.968869 0.220691 0.061598 O\n0.468869 0.779309 0.438402 O\n","nsites":20,"nelements":3,"elements":["Sr","Te","O"],"chemical_system":"O-Sr-Te","density":4.907402927114697,"density_atomic":0.056137970708966235,"volume":356.26510448133536,"volume_molar":10.727393035313542,"formula_full":"Sr4 Te4 O12","formula_reduced":"SrTeO3","formula_anonymous":"ABC3","energy":-126.27207128,"energy_per_atom":-6.313603564,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-118.02807128,"band_gap":3.3613000000000004,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005952,"is_theoretical":false,"updated_at":"2021-11-28T01:39:52.108000Z","spacegroup":14},{"id":"mp-1244921","created_at":"2022-09-04T14:48:31.120321Z","structure_string":"Zn50 S50\n1.0\n13.017788 -0.051732 -0.773331\n-0.003545 14.269960 0.920065\n-0.764031 0.924506 13.003908\nZn S\n50 50\ndirect\n0.407023 0.289109 0.090411 Zn\n0.503683 0.311117 0.457761 Zn\n0.526822 0.372910 0.194750 Zn\n0.049332 0.844098 0.067791 Zn\n0.571577 0.065342 0.580597 Zn\n0.578076 0.729617 0.028324 Zn\n0.665969 0.952252 0.174232 Zn\n0.873768 0.329562 0.414692 Zn\n0.700310 0.968217 0.727426 Zn\n0.291948 0.837191 0.035880 Zn\n0.522957 0.988793 0.351958 Zn\n0.909474 0.241037 0.896158 Zn\n0.250393 0.605641 0.640273 Zn\n0.838465 0.705720 0.215136 Zn\n0.774426 0.422061 0.753619 Zn\n0.586021 0.384763 0.913148 Zn\n0.393321 0.687368 0.049141 Zn\n0.840977 0.099548 0.580166 Zn\n0.983841 0.194823 0.167352 Zn\n0.488447 0.693935 0.860075 Zn\n0.187772 0.948875 0.292526 Zn\n0.276690 0.867312 0.691972 Zn\n0.735929 0.542889 0.939367 Zn\n0.963620 0.104085 0.374976 Zn\n0.537608 0.570552 0.366494 Zn\n0.989550 0.854991 0.312730 Zn\n0.748229 0.915905 0.931587 Zn\n0.997704 0.452868 0.438961 Zn\n0.599953 0.579952 0.648679 Zn\n0.257786 0.105632 0.862744 Zn\n0.103810 0.877921 0.464301 Zn\n0.393110 0.261540 0.733844 Zn\n0.731272 0.117539 0.332492 Zn\n0.145434 0.109231 0.008566 Zn\n0.669801 0.764524 0.820819 Zn\n0.558718 0.896321 0.836710 Zn\n0.725370 0.783006 0.381428 Zn\n0.164807 0.659117 0.339314 Zn\n0.320040 0.448235 0.900056 Zn\n0.249394 0.227051 0.279581 Zn\n0.921605 0.643426 0.714993 Zn\n0.296123 0.827136 0.419482 Zn\n0.017863 0.443378 0.731491 Zn\n0.995670 0.920380 0.693685 Zn\n0.597726 0.888420 0.569951 Zn\n0.810947 0.344258 0.024068 Zn\n0.813885 0.576390 0.510754 Zn\n0.217826 0.637591 0.893607 Zn\n0.119111 0.215839 0.815005 Zn\n0.273158 0.432120 0.431402 Zn\n0.359885 0.984436 0.932096 S\n0.639172 0.187008 0.456162 S\n0.679002 0.424334 0.068587 S\n0.324491 0.710993 0.760747 S\n0.326085 0.281627 0.424149 S\n0.808183 0.865305 0.249633 S\n0.413155 0.029928 0.470707 S\n0.136472 0.957439 0.608004 S\n0.951261 0.100161 0.019884 S\n0.588263 0.420414 0.350619 S\n0.179224 0.508214 0.779726 S\n0.880433 0.524731 0.842500 S\n0.022039 0.765435 0.772269 S\n0.576913 0.549729 0.824866 S\n0.177520 0.716697 0.502565 S\n0.982985 0.319732 0.037768 S\n0.181988 0.951378 0.105846 S\n0.423202 0.319438 0.898757 S\n0.604394 0.892534 0.026483 S\n0.765351 0.247036 0.541046 S\n0.462289 0.613828 0.515289 S\n0.970388 0.287301 0.737935 S\n0.107807 0.115328 0.296123 S\n0.241468 0.192620 0.698090 S\n0.254351 0.215809 0.111073 S\n0.985311 0.553138 0.580791 S\n0.416451 0.645580 0.238246 S\n0.677884 0.739697 0.650177 S\n0.310026 0.539910 0.026288 S\n0.366056 0.503020 0.571576 S\n0.310304 0.742642 0.275644 S\n0.016635 0.729982 0.209892 S\n0.567662 0.835541 0.404330 S\n0.910106 0.957797 0.011490 S\n0.813991 0.742038 0.576386 S\n0.846092 0.010923 0.447579 S\n0.876603 0.018508 0.738821 S\n0.737454 0.627885 0.341935 S\n0.130740 0.500469 0.339755 S\n0.702918 0.474481 0.591369 S\n0.758471 0.667427 0.048697 S\n0.401247 0.893390 0.553591 S\n0.552034 0.152739 0.713483 S\n0.112619 0.762894 0.920566 S\n0.825618 0.757712 0.934737 S\n0.590996 0.079510 0.220382 S\n0.399214 0.960837 0.787456 S\n0.727646 0.293164 0.863175 S\n0.533837 0.297228 0.645611 S\n0.852674 0.230737 0.278099 S\n","nsites":100,"nelements":2,"elements":["Zn","S"],"chemical_system":"S-Zn","density":3.377444643154488,"density_atomic":0.04173307150052973,"volume":2396.181167703668,"volume_molar":14.430140278372658,"formula_full":"Zn50 S50","formula_reduced":"ZnS","formula_anonymous":"AB","energy":-332.01503896,"energy_per_atom":-3.3201503896,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-306.86503896,"band_gap":1.0343,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.620000Z","spacegroup":1},{"id":"mp-1215079","created_at":"2022-09-04T14:48:31.118781Z","structure_string":"Al2 N8 F24\n1.0\n0.000000 10.530466 10.530466\n10.530466 0.000000 10.530466\n10.530466 10.530466 0.000000\nAl N F\n2 8 24\ndirect\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Al\n0.374105 0.374105 0.374105 N\n0.374105 0.374105 0.877685 N\n0.374105 0.877685 0.374105 N\n0.875895 0.875895 0.372315 N\n0.875895 0.875895 0.875895 N\n0.877685 0.374105 0.374105 N\n0.875895 0.372315 0.875895 N\n0.372315 0.875895 0.875895 N\n0.929751 0.307630 0.307630 F\n0.307630 0.929751 0.454989 F\n0.307630 0.454989 0.929751 F\n0.307630 0.929751 0.307630 F\n0.320249 0.942370 0.795011 F\n0.320249 0.942370 0.942370 F\n0.454989 0.307630 0.307630 F\n0.454989 0.307630 0.929751 F\n0.942370 0.320249 0.942370 F\n0.942370 0.320249 0.795011 F\n0.929751 0.307630 0.454989 F\n0.942370 0.795011 0.942370 F\n0.942370 0.795011 0.320249 F\n0.307630 0.454989 0.307630 F\n0.795011 0.942370 0.320249 F\n0.795011 0.942370 0.942370 F\n0.307630 0.307630 0.929751 F\n0.454989 0.929751 0.307630 F\n0.307630 0.307630 0.454989 F\n0.929751 0.454989 0.307630 F\n0.795011 0.320249 0.942370 F\n0.942370 0.942370 0.320249 F\n0.320249 0.795011 0.942370 F\n0.942370 0.942370 0.795011 F\n","nsites":34,"nelements":3,"elements":["Al","N","F"],"chemical_system":"Al-F-N","density":0.44223346299307065,"density_atomic":0.014558148686118651,"volume":2335.461790716519,"volume_molar":41.36611659793099,"formula_full":"Al2 N8 F24","formula_reduced":"Al(NF3)4","formula_anonymous":"AB4C12","energy":-138.84638216,"energy_per_atom":-4.083717122352941,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-127.75838216,"band_gap":0.0030000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":1.9970947,"is_theoretical":true,"updated_at":"2021-11-28T01:39:50.591000Z","spacegroup":227},{"id":"mp-1977728","created_at":"2022-09-04T14:48:31.118504Z","structure_string":"Na2 Nb2 O6\n1.0\n2.839647 3.944307 2.813119\n2.839647 -3.944307 -2.813119\n2.839647 3.944307 -2.813119\nNa Nb O\n2 2 6\ndirect\n0.005060 0.250000 0.744940 Na\n0.994940 0.750000 0.255060 Na\n0.500000 0.000000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.435678 0.750000 0.814322 O\n0.564322 0.250000 0.185678 O\n0.500000 0.716742 0.283258 O\n0.000000 0.783258 0.716742 O\n0.500000 0.283258 0.716742 O\n0.000000 0.216742 0.283258 O\n","nsites":10,"nelements":3,"elements":["Na","Nb","O"],"chemical_system":"Na-Nb-O","density":4.318768370504101,"density_atomic":0.07934450199245886,"volume":126.03267710912635,"volume_molar":7.589865219107889,"formula_full":"Na2 Nb2 O6","formula_reduced":"NaNbO3","formula_anonymous":"ABC3","energy":-80.72796319,"energy_per_atom":-8.072796319,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-76.60596319,"band_gap":1.6644,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0006232,"is_theoretical":true,"updated_at":"2021-11-28T01:39:57.043000Z","spacegroup":74},{"id":"mp-762197","created_at":"2022-09-04T14:48:31.112652Z","structure_string":"Rb2 Al2 H16 N8\n1.0\n7.979233 0.000000 0.000000\n0.000000 7.979233 0.000000\n0.000000 0.000000 5.134095\nRb Al H N\n2 2 16 8\ndirect\n0.000000 0.500000 0.624042 Rb\n0.500000 0.000000 0.375958 Rb\n0.500000 0.500000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.214364 0.526675 0.140581 H\n0.459719 0.329894 0.604468 H\n0.026675 0.285636 0.140581 H\n0.670106 0.459719 0.395532 H\n0.329894 0.540281 0.395532 H\n0.973325 0.714364 0.140581 H\n0.540281 0.670106 0.604468 H\n0.785636 0.473325 0.140581 H\n0.714364 0.026675 0.859419 H\n0.959719 0.829894 0.395532 H\n0.526675 0.785636 0.859419 H\n0.170106 0.959719 0.604468 H\n0.829894 0.040281 0.604468 H\n0.473325 0.214364 0.859419 H\n0.040281 0.170106 0.395532 H\n0.285636 0.973325 0.859419 H\n0.472082 0.683746 0.773127 N\n0.316254 0.472082 0.226873 N\n0.683746 0.527918 0.226873 N\n0.527918 0.316254 0.773127 N\n0.972082 0.183746 0.226873 N\n0.816254 0.972082 0.773127 N\n0.183746 0.027918 0.773127 N\n0.027918 0.816254 0.226873 N\n","nsites":28,"nelements":4,"elements":["Rb","Al","H","N"],"chemical_system":"Al-H-N-Rb","density":1.7936395888953975,"density_atomic":0.08565877057313603,"volume":326.87837815852623,"volume_molar":7.030384302396981,"formula_full":"Rb2 Al2 H16 N8","formula_reduced":"RbAl(H2N)4","formula_anonymous":"ABC4D8","energy":-145.37976733,"energy_per_atom":-5.192134547499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.49176733,"band_gap":2.5643,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002676,"is_theoretical":true,"updated_at":"2021-11-28T01:39:56.841000Z","spacegroup":85},{"id":"mp-1066162","created_at":"2022-09-04T14:48:31.111953Z","structure_string":"Ir2 N2\n1.0\n1.548064 -2.681325 0.000000\n1.548064 2.681325 0.000000\n0.000000 0.000000 5.187796\nIr N\n2 2\ndirect\n0.000000 0.000000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n","nsites":4,"nelements":2,"elements":["Ir","N"],"chemical_system":"Ir-N","density":15.90253694865138,"density_atomic":0.09287711934076891,"volume":43.06765787302125,"volume_molar":6.483987447871404,"formula_full":"Ir2 N2","formula_reduced":"IrN","formula_anonymous":"AB","energy":-30.3017713,"energy_per_atom":-7.575442825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-29.5797713,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0008282,"is_theoretical":true,"updated_at":"2021-11-28T01:39:58.388000Z","spacegroup":194},{"id":"mp-216","created_at":"2022-09-04T14:48:31.102478Z","structure_string":"Sc16 O24\n1.0\n-4.961171 4.961171 4.961171\n4.961171 -4.961171 4.961171\n4.961171 4.961171 -4.961171\nSc O\n16 24\ndirect\n0.500000 0.000000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.785680 0.250000 0.035680 Sc\n0.714320 0.750000 0.464320 Sc\n0.250000 0.035680 0.785680 Sc\n0.750000 0.464320 0.714320 Sc\n0.035680 0.785680 0.250000 Sc\n0.464320 0.714320 0.750000 Sc\n0.214320 0.750000 0.964320 Sc\n0.285680 0.250000 0.535680 Sc\n0.750000 0.964320 0.214320 Sc\n0.250000 0.535680 0.285680 Sc\n0.964320 0.214320 0.750000 Sc\n0.535680 0.285680 0.250000 Sc\n0.489026 0.226452 0.454213 O\n0.227761 0.273548 0.762574 O\n0.010974 0.465187 0.737426 O\n0.272239 0.034813 0.045787 O\n0.226452 0.454213 0.489026 O\n0.273548 0.762574 0.227761 O\n0.465187 0.737426 0.010974 O\n0.034813 0.045787 0.272239 O\n0.454213 0.489026 0.226452 O\n0.762574 0.227761 0.273548 O\n0.737426 0.010974 0.465187 O\n0.045787 0.272239 0.034813 O\n0.510974 0.773548 0.545787 O\n0.772239 0.726452 0.237426 O\n0.989026 0.534813 0.262574 O\n0.727761 0.965187 0.954213 O\n0.773548 0.545787 0.510974 O\n0.726452 0.237426 0.772239 O\n0.534813 0.262574 0.989026 O\n0.965187 0.954213 0.727761 O\n0.545787 0.510974 0.773548 O\n0.237426 0.772239 0.726452 O\n0.262574 0.989026 0.534813 O\n0.954213 0.727761 0.965187 O\n","nsites":40,"nelements":2,"elements":["Sc","O"],"chemical_system":"O-Sc","density":3.7507864458761118,"density_atomic":0.08189311875390551,"volume":488.44152730588723,"volume_molar":7.353659076163591,"formula_full":"Sc16 O24","formula_reduced":"Sc2O3","formula_anonymous":"A2B3","energy":-378.81987543,"energy_per_atom":-9.47049688575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-362.33187543,"band_gap":3.8235,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0019308,"is_theoretical":false,"updated_at":"2021-11-28T01:39:58.567000Z","spacegroup":206},{"id":"mp-1176257","created_at":"2022-09-04T14:48:31.101832Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n2.997026 0.000000 0.000000\n-0.183867 5.003449 0.000000\n-0.531880 -1.027584 19.289564\nLi Mn Co O\n9 2 5 16\ndirect\n0.994266 0.379203 0.123419 Li\n0.489871 0.628294 0.381623 Li\n0.995688 0.882944 0.620516 Li\n0.498911 0.126315 0.872154 Li\n0.504128 0.870685 0.126306 Li\n0.003059 0.113302 0.383840 Li\n0.509792 0.373929 0.619821 Li\n0.002691 0.622345 0.873756 Li\n0.500555 0.999690 0.500596 Li\n0.000876 0.999907 0.999775 Mn\n0.497566 0.249605 0.251248 Mn\n0.000420 0.500212 0.500246 Co\n0.500963 0.750398 0.748790 Co\n0.501586 0.499755 0.999557 Co\n0.997167 0.749987 0.251571 Co\n0.000823 0.250762 0.747896 Co\n0.465613 0.198871 0.058560 O\n0.972192 0.442718 0.307340 O\n0.515464 0.667937 0.554243 O\n0.005633 0.944277 0.806761 O\n0.965829 0.689343 0.057391 O\n0.466525 0.938337 0.308861 O\n0.996857 0.225677 0.555765 O\n0.509103 0.441008 0.806641 O\n0.532618 0.561256 0.193568 O\n0.003717 0.776443 0.444323 O\n0.492381 0.057982 0.690250 O\n0.034217 0.311467 0.942580 O\n0.027064 0.052723 0.193054 O\n0.486224 0.331276 0.445543 O\n0.993761 0.560936 0.692359 O\n0.534439 0.802418 0.941647 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.150552153614366,"density_atomic":0.11062864138201839,"volume":289.25601544268164,"volume_molar":5.443563877101758,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-207.41913705,"energy_per_atom":-6.4818480328125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-184.90113705,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.000012,"is_theoretical":true,"updated_at":"2021-11-28T01:40:03.197000Z","spacegroup":1},{"id":"mp-1221684","created_at":"2022-09-04T14:48:31.101571Z","structure_string":"Mn1 Cr4 Co1 S8\n1.0\n0.000000 5.001407 5.001407\n5.001407 0.000000 5.001407\n5.001407 5.001407 0.000000\nMn Cr Co S\n1 4 1 8\ndirect\n0.500000 0.500000 0.500000 Mn\n0.628725 0.123758 0.123758 Cr\n0.123758 0.628725 0.123758 Cr\n0.123758 0.123758 0.628725 Cr\n0.123758 0.123758 0.123758 Cr\n0.750000 0.750000 0.750000 Co\n0.354584 0.881805 0.881805 S\n0.881805 0.354584 0.881805 S\n0.881805 0.881805 0.354584 S\n0.881805 0.881805 0.881805 S\n0.906308 0.364564 0.364564 S\n0.364564 0.906308 0.364564 S\n0.364564 0.364564 0.906308 S\n0.364564 0.364564 0.364564 S\n","nsites":14,"nelements":4,"elements":["Mn","Cr","Co","S"],"chemical_system":"Co-Cr-Mn-S","density":3.8384200753989903,"density_atomic":0.055952751394009376,"volume":250.21110939504078,"volume_molar":10.762903717804958,"formula_full":"Mn1 Cr4 Co1 S8","formula_reduced":"MnCr4CoS8","formula_anonymous":"ABC4D8","energy":-101.20454938,"energy_per_atom":-7.228896384285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.18054938,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9990219,"is_theoretical":true,"updated_at":"2021-11-28T01:39:54.502000Z","spacegroup":216},{"id":"mp-780181","created_at":"2022-09-04T14:48:31.101458Z","structure_string":"Na8 Cr16 O52\n1.0\n20.010543 0.000000 0.000000\n0.000000 7.697396 0.000000\n0.000000 5.299653 8.106257\nNa Cr O\n8 16 52\ndirect\n0.897630 0.605107 0.593251 Na\n0.397630 0.394893 0.906749 Na\n0.760215 0.115192 0.986784 Na\n0.260215 0.884808 0.513216 Na\n0.739785 0.115192 0.486784 Na\n0.239785 0.884808 0.013216 Na\n0.602370 0.605107 0.093251 Na\n0.102370 0.394893 0.406749 Na\n0.727311 0.611737 0.454781 Cr\n0.107180 0.440870 0.800203 Cr\n0.446715 0.781661 0.362238 Cr\n0.607180 0.559130 0.699797 Cr\n0.079184 0.931613 0.308691 Cr\n0.579184 0.068387 0.191309 Cr\n0.772689 0.611737 0.954781 Cr\n0.946715 0.218339 0.137762 Cr\n0.053285 0.781661 0.862238 Cr\n0.227311 0.388263 0.045219 Cr\n0.420816 0.931613 0.808691 Cr\n0.920816 0.068387 0.691309 Cr\n0.392820 0.440870 0.300203 Cr\n0.553285 0.218339 0.637762 Cr\n0.892820 0.559130 0.199797 Cr\n0.272689 0.388263 0.545219 Cr\n0.072463 0.282678 0.764033 O\n0.754100 0.388339 0.608033 O\n0.297476 0.411563 0.694178 O\n0.543662 0.425285 0.667945 O\n0.911495 0.303589 0.962530 O\n0.156472 0.305244 0.974638 O\n0.654396 0.397731 0.850984 O\n0.131204 0.848886 0.227781 O\n0.154396 0.602269 0.649016 O\n0.618153 0.956514 0.111950 O\n0.656472 0.694756 0.525362 O\n0.030591 0.744806 0.443030 O\n0.411495 0.696411 0.537470 O\n0.783661 0.793815 0.392021 O\n0.400639 0.955218 0.217418 O\n0.525535 0.872200 0.357838 O\n0.043662 0.574715 0.832055 O\n0.797476 0.588437 0.805822 O\n0.254100 0.611661 0.891967 O\n0.572463 0.717322 0.735967 O\n0.025535 0.127800 0.142162 O\n0.900639 0.044782 0.282582 O\n0.283661 0.206185 0.107979 O\n0.530591 0.255194 0.056970 O\n0.118153 0.043486 0.388050 O\n0.631204 0.151114 0.272219 O\n0.368796 0.848886 0.727781 O\n0.881847 0.956514 0.611950 O\n0.469409 0.744806 0.943030 O\n0.716339 0.793815 0.892021 O\n0.099361 0.955218 0.717418 O\n0.974465 0.872200 0.857838 O\n0.427537 0.282678 0.264033 O\n0.745900 0.388339 0.108033 O\n0.202524 0.411563 0.194178 O\n0.956338 0.425285 0.167945 O\n0.474465 0.127800 0.642162 O\n0.599361 0.044782 0.782582 O\n0.216339 0.206185 0.607979 O\n0.588505 0.303589 0.462530 O\n0.969409 0.255194 0.556970 O\n0.343528 0.305244 0.474638 O\n0.381847 0.043486 0.888050 O\n0.845604 0.397731 0.350984 O\n0.868796 0.151114 0.772219 O\n0.345604 0.602269 0.149016 O\n0.843528 0.694756 0.025362 O\n0.088505 0.696411 0.037470 O\n0.456338 0.574715 0.332055 O\n0.702524 0.588437 0.305822 O\n0.245900 0.611661 0.391967 O\n0.927537 0.717322 0.235967 O\n","nsites":76,"nelements":3,"elements":["Na","Cr","O"],"chemical_system":"Cr-Na-O","density":2.457461707345975,"density_atomic":0.06086820860064203,"volume":1248.5992564466299,"volume_molar":9.893737467306504,"formula_full":"Na8 Cr16 O52","formula_reduced":"Na2Cr4O13","formula_anonymous":"A2B4C13","energy":-547.68503467,"energy_per_atom":-7.20638203513158,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-479.97703467,"band_gap":1.7697,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0562853,"is_theoretical":true,"updated_at":"2021-11-28T01:39:53.701000Z","spacegroup":14}]}