{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=12177","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_theoretical&page=12175","results":[{"id":"mp-754076","created_at":"2022-09-04T14:43:02.614652Z","structure_string":"Li4 Mn3 Fe3 Co2 O16\n1.0\n2.926297 5.100061 0.000000\n-2.926297 5.100061 0.000000\n0.000000 0.174594 9.378901\nLi Mn Fe Co O\n4 3 3 2 16\ndirect\n0.668697 0.668697 0.894407 Li\n0.999048 0.999048 0.997338 Li\n0.001961 0.001961 0.495466 Li\n0.334285 0.334285 0.394439 Li\n0.827335 0.827335 0.214100 Mn\n0.661903 0.168956 0.712953 Mn\n0.168956 0.661903 0.712953 Mn\n0.828538 0.339223 0.212172 Fe\n0.339223 0.828538 0.212172 Fe\n0.168396 0.168396 0.711046 Fe\n0.662904 0.662904 0.481149 Co\n0.330929 0.330929 0.984098 Co\n0.828050 0.333171 0.600042 O\n0.522528 0.522528 0.348921 O\n0.672284 0.672284 0.101476 O\n0.993085 0.993085 0.306972 O\n0.993738 0.993738 0.809190 O\n0.333171 0.828050 0.600042 O\n0.956162 0.528323 0.344944 O\n0.528323 0.956162 0.344944 O\n0.169556 0.169556 0.095126 O\n0.837656 0.837656 0.603208 O\n0.485930 0.043554 0.844156 O\n0.043554 0.485930 0.844156 O\n0.340996 0.340996 0.605437 O\n0.662232 0.162141 0.098571 O\n0.478578 0.478578 0.839798 O\n0.162141 0.662232 0.098571 O\n","nsites":28,"nelements":5,"elements":["Li","Mn","Fe","Co","O"],"chemical_system":"Co-Fe-Li-Mn-O","density":4.3536312545964,"density_atomic":0.10001895469470497,"volume":279.9469369127723,"volume_molar":6.020999497926981,"formula_full":"Li4 Mn3 Fe3 Co2 O16","formula_reduced":"Li4Mn3Fe3(CoO8)2","formula_anonymous":"A2B3C3D4E16","energy":-201.77259862,"energy_per_atom":-7.206164236428571,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-175.73259862,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":30.5862429,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.750000Z","spacegroup":8},{"id":"mp-757937","created_at":"2022-09-04T14:43:02.755226Z","structure_string":"Cr4 H4 Se12 O32\n1.0\n12.161987 0.000000 0.000000\n0.000000 7.634756 0.000000\n0.000000 7.074544 8.108527\nCr H Se O\n4 4 12 32\ndirect\n0.325298 0.756034 0.624447 Cr\n0.825298 0.243966 0.875553 Cr\n0.174702 0.756034 0.124447 Cr\n0.674702 0.243966 0.375553 Cr\n0.819073 0.309213 0.152996 H\n0.319073 0.690787 0.347004 H\n0.680927 0.309213 0.652996 H\n0.180927 0.690787 0.847004 H\n0.658063 0.484606 0.976789 Se\n0.873976 0.859904 0.579614 Se\n0.546542 0.843152 0.408983 Se\n0.046542 0.156848 0.091017 Se\n0.373976 0.140096 0.920386 Se\n0.158063 0.515394 0.523211 Se\n0.841937 0.484606 0.476789 Se\n0.626024 0.859904 0.079614 Se\n0.953458 0.843152 0.908983 Se\n0.453458 0.156848 0.591017 Se\n0.126024 0.140096 0.420386 Se\n0.341937 0.515394 0.023211 Se\n0.262598 0.285459 0.123810 O\n0.740727 0.280934 0.185227 O\n0.042706 0.097626 0.284070 O\n0.409141 0.773052 0.453375 O\n0.545855 0.124456 0.332327 O\n0.736511 0.913903 0.549646 O\n0.387699 0.429401 0.803703 O\n0.185497 0.655739 0.595249 O\n0.685497 0.344261 0.904751 O\n0.887699 0.570599 0.696297 O\n0.236511 0.086097 0.950354 O\n0.045855 0.875544 0.167673 O\n0.909141 0.226948 0.046625 O\n0.542706 0.902374 0.215930 O\n0.240727 0.719066 0.314773 O\n0.762598 0.714541 0.376190 O\n0.237402 0.285459 0.623810 O\n0.759273 0.280934 0.685227 O\n0.457294 0.097626 0.784070 O\n0.090859 0.773052 0.953375 O\n0.954145 0.124456 0.832327 O\n0.763489 0.913903 0.049646 O\n0.112301 0.429401 0.303703 O\n0.314503 0.655739 0.095249 O\n0.814503 0.344261 0.404751 O\n0.612301 0.570599 0.196297 O\n0.263489 0.086097 0.450354 O\n0.454145 0.875544 0.667673 O\n0.590859 0.226948 0.546625 O\n0.957294 0.902374 0.715930 O\n0.259273 0.719066 0.814773 O\n0.737402 0.714541 0.876190 O\n","nsites":52,"nelements":4,"elements":["Cr","H","Se","O"],"chemical_system":"Cr-H-O-Se","density":3.686533807670361,"density_atomic":0.06906558260264463,"volume":752.9075704634516,"volume_molar":8.719452631924085,"formula_full":"Cr4 H4 Se12 O32","formula_reduced":"CrHSe3O8","formula_anonymous":"ABC3D8","energy":-323.75397478,"energy_per_atom":-6.226037976538462,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-293.77397478,"band_gap":2.1499,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":11.998239,"is_theoretical":true,"updated_at":"2021-11-28T01:36:08.144000Z","spacegroup":14},{"id":"mp-1342342","created_at":"2022-09-04T14:43:02.755559Z","structure_string":"Li6 Co6 O5 F11\n1.0\n6.014370 0.000000 0.000000\n-3.002554 5.245756 0.000000\n-0.022068 -3.397605 9.849742\nLi Co O F\n6 6 5 11\ndirect\n0.757370 0.375797 0.872813 Li\n0.363579 0.189289 0.441631 Li\n0.000341 0.504996 0.505835 Li\n0.750860 0.865254 0.376820 Li\n0.372646 0.434980 0.193482 Li\n0.002000 0.010344 0.994508 Li\n0.395268 0.922949 0.687452 Co\n0.401399 0.686383 0.915415 Co\n0.864732 0.433927 0.188714 Co\n0.839208 0.921145 0.689739 Co\n0.383577 0.452532 0.687131 Co\n0.394464 0.969015 0.179717 Co\n0.618634 0.573921 0.813002 O\n0.599334 0.035916 0.812286 O\n0.157721 0.579949 0.809826 O\n0.608497 0.280453 0.081421 O\n0.614735 0.814787 0.570915 O\n0.130717 0.060901 0.795808 F\n0.133227 0.836592 0.570745 F\n0.601961 0.299395 0.566630 F\n0.618030 0.539652 0.308017 F\n0.147640 0.065014 0.307952 F\n0.610035 0.061614 0.311184 F\n0.135473 0.807012 0.069115 F\n0.141628 0.591676 0.294443 F\n0.127435 0.295460 0.566648 F\n0.132758 0.339295 0.068888 F\n0.596735 0.801756 0.069859 F\n","nsites":28,"nelements":4,"elements":["Li","Co","O","F"],"chemical_system":"Co-F-Li-O","density":3.656155867387868,"density_atomic":0.090102107290093,"volume":310.75854763142354,"volume_molar":6.683684700748561,"formula_full":"Li6 Co6 O5 F11","formula_reduced":"Li6Co6O5F11","formula_anonymous":"A5B6C6D11","energy":-147.52289894,"energy_per_atom":-5.268674962142858,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.17789894,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.9672826,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.569000Z","spacegroup":1},{"id":"mp-1187132","created_at":"2022-09-04T14:43:02.795139Z","structure_string":"Sr6 Nd2\n1.0\n4.095724 -7.094001 0.000000\n4.095724 7.094001 0.000000\n0.000000 0.000000 6.587410\nSr Nd\n6 2\ndirect\n0.828166 0.171834 0.750000 Sr\n0.343668 0.171834 0.750000 Sr\n0.828166 0.656332 0.750000 Sr\n0.171834 0.828166 0.250000 Sr\n0.656332 0.828166 0.250000 Sr\n0.171834 0.343668 0.250000 Sr\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n","nsites":8,"nelements":2,"elements":["Sr","Nd"],"chemical_system":"Nd-Sr","density":3.5319594621115518,"density_atomic":0.020898897128287356,"volume":382.7953193363363,"volume_molar":28.815591191407087,"formula_full":"Sr6 Nd2","formula_reduced":"Sr3Nd","formula_anonymous":"AB3","energy":-18.35982163,"energy_per_atom":-2.29497770375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.35982163,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5942053,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.283000Z","spacegroup":194},{"id":"mp-1187404","created_at":"2022-09-04T14:43:02.803395Z","structure_string":"Te6 Se2\n1.0\n3.930043 -6.807034 0.000000\n3.930043 6.807034 0.000000\n0.000000 0.000000 4.302164\nTe Se\n6 2\ndirect\n0.171261 0.342521 0.250000 Te\n0.657479 0.828739 0.250000 Te\n0.171261 0.828739 0.250000 Te\n0.828739 0.657479 0.750000 Te\n0.342521 0.171261 0.750000 Te\n0.828739 0.171261 0.750000 Te\n0.333333 0.666667 0.750000 Se\n0.666667 0.333333 0.250000 Se\n","nsites":8,"nelements":2,"elements":["Te","Se"],"chemical_system":"Se-Te","density":6.662285245301941,"density_atomic":0.03475504118532958,"volume":230.1824347535768,"volume_molar":17.327387782069444,"formula_full":"Te6 Se2","formula_reduced":"Te3Se","formula_anonymous":"AB3","energy":-25.18130745,"energy_per_atom":-3.14766343125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-24.23730745,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":3.8e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.227000Z","spacegroup":194},{"id":"mp-764620","created_at":"2022-09-04T14:43:03.036457Z","structure_string":"Li2 Fe8 B8 O24\n1.0\n-5.252126 0.000000 0.000000\n-0.157953 -9.148571 0.000000\n2.589047 4.479406 10.171507\nLi Fe B O\n2 8 8 24\ndirect\n0.276880 0.273115 0.892204 Li\n0.260567 0.247331 0.155396 Li\n0.009754 0.350002 0.379718 Fe\n0.263399 0.929448 0.875015 Fe\n0.488539 0.150685 0.628977 Fe\n0.237620 0.574219 0.131135 Fe\n0.773430 0.442526 0.880900 Fe\n0.519567 0.852561 0.377908 Fe\n0.983637 0.648787 0.629437 Fe\n0.731234 0.058577 0.122105 Fe\n0.029233 0.686295 0.379971 B\n0.268699 0.596751 0.871282 B\n0.472966 0.813013 0.625434 B\n0.236359 0.906114 0.135183 B\n0.521000 0.182769 0.372894 B\n0.770334 0.118205 0.884586 B\n0.979379 0.315640 0.632591 B\n0.733210 0.383179 0.119272 B\n0.027999 0.119328 0.890270 O\n0.116997 0.696773 0.825345 O\n0.149453 0.496433 0.914332 O\n0.151885 0.210139 0.649305 O\n0.025578 0.414792 0.572038 O\n0.239682 0.824591 0.665919 O\n0.262849 0.674721 0.339360 O\n0.528444 0.588838 0.875182 O\n0.608385 0.217891 0.833417 O\n0.477125 0.086493 0.435258 O\n0.343798 0.285149 0.351255 O\n0.640546 0.028405 0.931570 O\n0.355933 0.007452 0.093124 O\n0.639793 0.701261 0.631163 O\n0.533143 0.925238 0.577648 O\n0.386896 0.806439 0.181961 O\n0.470309 0.378471 0.107930 O\n0.751494 0.330834 0.678580 O\n0.748518 0.169849 0.327053 O\n0.969160 0.574655 0.428303 O\n0.861476 0.797337 0.373271 O\n0.862083 0.473610 0.073419 O\n0.891720 0.286478 0.174110 O\n0.976007 0.913126 0.130110 O\n","nsites":42,"nelements":4,"elements":["Li","Fe","B","O"],"chemical_system":"B-Fe-Li-O","density":3.1635812930161546,"density_atomic":0.08593608979066138,"volume":488.735292731042,"volume_molar":7.007696969538429,"formula_full":"Li2 Fe8 B8 O24","formula_reduced":"LiFe4(BO3)4","formula_anonymous":"AB4C4D12","energy":-337.32264457,"energy_per_atom":-8.031491537380953,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-302.78664457,"band_gap":1.6916000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":38.0001256,"is_theoretical":true,"updated_at":"2021-11-28T01:36:11.810000Z","spacegroup":1},{"id":"mp-1036258","created_at":"2022-09-04T14:43:03.037431Z","structure_string":"Ca1 Mg14 Bi1 O16\n1.0\n8.766396 0.000000 0.000000\n0.000000 8.766396 0.000000\n0.000000 0.000000 4.500785\nCa Mg Bi O\n1 14 1 16\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.254377 0.000000 0.500000 Mg\n0.745623 0.000000 0.500000 Mg\n0.237842 0.500000 0.500000 Mg\n0.762158 0.500000 0.500000 Mg\n0.000000 0.254377 0.500000 Mg\n0.500000 0.237842 0.500000 Mg\n0.000000 0.745623 0.500000 Mg\n0.500000 0.762158 0.500000 Mg\n0.245816 0.245816 0.000000 Mg\n0.754184 0.245816 0.000000 Mg\n0.245816 0.754184 0.000000 Mg\n0.754184 0.754184 0.000000 Mg\n0.500000 0.500000 0.000000 Bi\n0.000000 0.260891 0.000000 O\n0.500000 0.231151 0.000000 O\n0.000000 0.739109 0.000000 O\n0.500000 0.768849 0.000000 O\n0.250685 0.250685 0.500000 O\n0.749315 0.250685 0.500000 O\n0.250685 0.749315 0.500000 O\n0.749315 0.749315 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.260891 0.000000 0.000000 O\n0.739109 0.000000 0.000000 O\n0.231151 0.500000 0.000000 O\n0.768849 0.500000 0.000000 O\n","nsites":32,"nelements":4,"elements":["Ca","Mg","Bi","O"],"chemical_system":"Bi-Ca-Mg-O","density":4.0582536509479485,"density_atomic":0.09251657380571943,"volume":345.8839717432526,"volume_molar":6.509256138955406,"formula_full":"Ca1 Mg14 Bi1 O16","formula_reduced":"CaMg14BiO16","formula_anonymous":"ABC14D16","energy":-196.28866518,"energy_per_atom":-6.134020786875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.29666518,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026393,"is_theoretical":true,"updated_at":"2021-11-28T01:35:59.328000Z","spacegroup":123},{"id":"mp-850782","created_at":"2022-09-04T14:43:02.562125Z","structure_string":"Li4 Mn6 B6 O18\n1.0\n5.273392 0.000000 0.000000\n-0.054259 5.857312 0.000000\n-2.535630 -0.419284 12.187025\nLi Mn B O\n4 6 6 18\ndirect\n0.912151 0.180577 0.481462 Li\n0.768249 0.461056 0.847104 Li\n0.236977 0.513355 0.151939 Li\n0.566770 0.866843 0.813221 Li\n0.043275 0.027211 0.715932 Mn\n0.297564 0.286806 0.952470 Mn\n0.384909 0.361349 0.382946 Mn\n0.619647 0.638229 0.606368 Mn\n0.700390 0.704365 0.052119 Mn\n0.949106 0.971167 0.276874 Mn\n0.472640 0.145594 0.603643 B\n0.856173 0.196483 0.058683 B\n0.813996 0.475618 0.273255 B\n0.191778 0.528950 0.734073 B\n0.139169 0.795877 0.936406 B\n0.518551 0.863850 0.394487 B\n0.342978 0.028474 0.345804 O\n0.748644 0.037498 0.117268 O\n0.211872 0.149353 0.595265 O\n0.119328 0.220688 0.075364 O\n0.592435 0.286574 0.537883 O\n0.975264 0.334364 0.344257 O\n0.694901 0.338704 0.985793 O\n0.085241 0.360632 0.791701 O\n0.548647 0.465362 0.261087 O\n0.456374 0.553439 0.745037 O\n0.925803 0.622016 0.207859 O\n0.296849 0.649036 0.006707 O\n0.019656 0.680021 0.675612 O\n0.411511 0.677541 0.441402 O\n0.874104 0.779487 0.917951 O\n0.776136 0.891746 0.405951 O\n0.259677 0.953103 0.878706 O\n0.631411 0.001841 0.675189 O\n","nsites":34,"nelements":4,"elements":["Li","Mn","B","O"],"chemical_system":"B-Li-Mn-O","density":3.133088602323353,"density_atomic":0.09032184512124344,"volume":376.43163682451495,"volume_molar":6.667424421983613,"formula_full":"Li4 Mn6 B6 O18","formula_reduced":"Li2Mn3(BO3)3","formula_anonymous":"A2B3C3D9","energy":-275.13090743000004,"energy_per_atom":-8.09208551264706,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-252.75690743,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:36:05.219000Z","spacegroup":1},{"id":"mp-1062652","created_at":"2022-09-04T14:43:02.589897Z","structure_string":"Fe1 O2\n1.0\n1.451099 2.676990 0.000000\n-1.451099 2.676990 0.000000\n0.000000 0.365388 4.582810\nFe O\n1 2\ndirect\n0.000000 0.000000 0.000000 Fe\n0.660828 0.660828 0.786934 O\n0.339172 0.339172 0.213066 O\n","nsites":3,"nelements":2,"elements":["Fe","O"],"chemical_system":"Fe-O","density":4.096892538109393,"density_atomic":0.08425886705133852,"volume":35.6045613356291,"volume_molar":7.147189335373735,"formula_full":"Fe1 O2","formula_reduced":"FeO2","formula_anonymous":"AB2","energy":-21.86380809,"energy_per_atom":-7.28793603,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.23380809,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.9984295,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.027000Z","spacegroup":12},{"id":"mp-1225611","created_at":"2022-09-04T14:43:02.738267Z","structure_string":"Er4 Pt2 Au2\n1.0\n0.000000 4.633958 0.000000\n0.000000 0.000000 5.581359\n6.962244 0.000000 0.000000\nEr Pt Au\n4 2 2\ndirect\n0.250000 0.853408 0.681610 Er\n0.250000 0.646592 0.181610 Er\n0.750000 0.129261 0.319411 Er\n0.750000 0.370739 0.819411 Er\n0.750000 0.649887 0.456864 Pt\n0.750000 0.850113 0.956864 Pt\n0.250000 0.346507 0.542115 Au\n0.250000 0.153493 0.042115 Au\n","nsites":8,"nelements":3,"elements":["Er","Pt","Au"],"chemical_system":"Au-Er-Pt","density":13.400296539339218,"density_atomic":0.04442717478109313,"volume":180.06996932437306,"volume_molar":13.555083774003208,"formula_full":"Er4 Pt2 Au2","formula_reduced":"Er2PtAu","formula_anonymous":"ABC2","energy":-45.76697983,"energy_per_atom":-5.72087247875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.76697983,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0009897,"is_theoretical":true,"updated_at":"2021-11-28T01:36:00.827000Z","spacegroup":26},{"id":"mp-1022582","created_at":"2022-09-04T14:43:02.740349Z","structure_string":"Ce1 Mg6 Zr1\n1.0\n6.669621 0.317957 0.000000\n-3.059452 5.299126 0.000000\n0.000000 0.000000 5.213212\nCe Mg Zr\n1 6 1\ndirect\n0.151840 0.825920 0.250000 Ce\n0.655114 0.326591 0.250000 Mg\n0.655114 0.828522 0.250000 Mg\n0.344395 0.176718 0.750000 Mg\n0.344395 0.667678 0.750000 Mg\n0.855640 0.177821 0.750000 Mg\n0.827112 0.663556 0.750000 Mg\n0.166390 0.333195 0.250000 Zr\n","nsites":8,"nelements":3,"elements":["Ce","Mg","Zr"],"chemical_system":"Ce-Mg-Zr","density":3.308137925048851,"density_atomic":0.04225589998148984,"volume":189.3226745496935,"volume_molar":14.251597439974049,"formula_full":"Ce1 Mg6 Zr1","formula_reduced":"CeMg6Zr","formula_anonymous":"ABC6","energy":-23.2394016,"energy_per_atom":-2.9049252,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.2394016,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0005202,"is_theoretical":true,"updated_at":"2021-11-28T01:35:58.583000Z","spacegroup":38},{"id":"mp-1288374","created_at":"2022-09-04T14:43:02.743035Z","structure_string":"Li2 V6 O8\n1.0\n2.132673 -4.353444 2.132670\n4.268314 -0.000019 -4.268297\n2.135103 4.355812 2.135089\nLi V O\n2 6 8\ndirect\n0.000007 0.005495 0.000005 Li\n0.499999 0.494772 0.500001 Li\n0.000001 0.505387 0.000001 V\n0.500002 0.998174 0.500002 V\n0.500003 0.250128 0.000002 V\n0.499992 0.749229 0.999995 V\n0.999993 0.250126 0.499993 V\n0.000002 0.747917 0.500000 V\n0.739641 0.241222 0.743112 O\n0.254001 0.758808 0.261954 O\n0.260363 0.241222 0.256895 O\n0.746006 0.758807 0.738050 O\n0.247869 0.992110 0.736972 O\n0.758501 0.507251 0.256134 O\n0.241496 0.507247 0.743857 O\n0.752126 0.992102 0.263026 O\n","nsites":16,"nelements":3,"elements":["Li","V","O"],"chemical_system":"Li-O-V","density":4.68414495219131,"density_atomic":0.10085158903174944,"volume":158.64896283352545,"volume_molar":5.971289910071867,"formula_full":"Li2 V6 O8","formula_reduced":"LiV3O4","formula_anonymous":"AB3C4","energy":-134.44520168,"energy_per_atom":-8.402825105,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-118.74920168,"band_gap":0.4256000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.001074,"is_theoretical":true,"updated_at":"2021-11-28T01:36:01.069000Z","spacegroup":35}]}