{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=10214","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-spacegroup&page=10212","results":[{"id":"mp-1184020","created_at":"2022-09-04T14:41:35.248446Z","structure_string":"Cs2 Li6 I8\n1.0\n4.680424 0.000000 0.000000\n0.000000 11.205044 0.000000\n0.000000 0.647212 11.660077\nCs Li I\n2 6 8\ndirect\n0.500000 0.867565 0.152684 Cs\n0.500000 0.420473 0.299977 Cs\n0.000000 0.010913 0.444477 Li\n0.000000 0.640291 0.611055 Li\n0.500000 0.288406 0.663771 Li\n0.500000 0.925901 0.769628 Li\n0.500000 0.543834 0.936970 Li\n0.000000 0.189529 0.989209 Li\n0.000000 0.583852 0.066538 I\n0.000000 0.147359 0.229464 I\n0.000000 0.770074 0.404266 I\n0.500000 0.064878 0.566226 I\n0.000000 0.396423 0.572094 I\n0.500000 0.682935 0.734418 I\n0.000000 0.968520 0.894002 I\n0.500000 0.299111 0.903459 I\n","nsites":16,"nelements":3,"elements":["Cs","Li","I"],"chemical_system":"Cs-I-Li","density":3.5917645517866075,"density_atomic":0.02616494344555649,"volume":611.505239187407,"volume_molar":23.016066411650208,"formula_full":"Cs2 Li6 I8","formula_reduced":"CsLi3I4","formula_anonymous":"AB3C4","energy":-49.27030153,"energy_per_atom":-3.079393845625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.23830153,"band_gap":4.2797,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004096,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.331000Z","spacegroup":6},{"id":"mp-1218635","created_at":"2022-09-04T14:41:36.592582Z","structure_string":"Sr1 Ca3 Al8 Si8 O40\n1.0\n13.086230 0.000000 0.000000\n0.000000 5.910762 0.000000\n0.000000 0.024264 8.925043\nSr Ca Al Si O\n1 3 8 8 40\ndirect\n0.500000 0.994396 0.671809 Sr\n0.000000 0.503888 0.836059 Ca\n0.000000 0.003951 0.337028 Ca\n0.500000 0.494966 0.162950 Ca\n0.751672 0.250942 0.750013 Al\n0.750499 0.749888 0.249952 Al\n0.249501 0.749888 0.249952 Al\n0.248328 0.250942 0.750013 Al\n0.750623 0.250161 0.250016 Al\n0.751820 0.748936 0.750066 Al\n0.249377 0.250161 0.250016 Al\n0.248180 0.748936 0.750066 Al\n0.620500 0.500943 0.519318 Si\n0.619906 0.001261 0.023071 Si\n0.118583 0.498812 0.479078 Si\n0.118654 0.998760 0.979282 Si\n0.881417 0.498812 0.479078 Si\n0.881346 0.998760 0.979282 Si\n0.379500 0.500943 0.519318 Si\n0.380094 0.001261 0.023071 Si\n0.691481 0.499489 0.851435 O\n0.691303 0.999697 0.351118 O\n0.190418 0.500447 0.148189 O\n0.190401 0.000446 0.649343 O\n0.809582 0.500447 0.148189 O\n0.809599 0.000446 0.649343 O\n0.308519 0.499489 0.851435 O\n0.308697 0.999697 0.351118 O\n0.363323 0.231271 0.122503 O\n0.359299 0.727021 0.619278 O\n0.865083 0.770252 0.878654 O\n0.864585 0.270213 0.377997 O\n0.134917 0.770252 0.878654 O\n0.135415 0.270213 0.377997 O\n0.636677 0.231271 0.122503 O\n0.640701 0.727021 0.619278 O\n0.684202 0.499361 0.360141 O\n0.683405 0.999316 0.863103 O\n0.181807 0.500350 0.638720 O\n0.184466 0.000399 0.137019 O\n0.818193 0.500350 0.638720 O\n0.815534 0.000399 0.137019 O\n0.315798 0.499361 0.360141 O\n0.316595 0.999316 0.863103 O\n0.000000 0.473876 0.112610 O\n0.000000 0.973901 0.612550 O\n0.500000 0.528037 0.887268 O\n0.500000 0.028331 0.373579 O\n0.635085 0.771513 0.124623 O\n0.638898 0.275094 0.621614 O\n0.133822 0.227043 0.876689 O\n0.134330 0.727246 0.376089 O\n0.866178 0.227043 0.876689 O\n0.865670 0.727246 0.376089 O\n0.364915 0.771513 0.124623 O\n0.361102 0.275094 0.621614 O\n0.000000 0.496330 0.545475 O\n0.000000 0.996409 0.046951 O\n0.500000 0.503882 0.457028 O\n0.500000 0.004314 0.962072 O\n","nsites":60,"nelements":5,"elements":["Sr","Ca","Al","Si","O"],"chemical_system":"Al-Ca-O-Si-Sr","density":3.0989895942191388,"density_atomic":0.08691263391074629,"volume":690.3484257722089,"volume_molar":6.928958989074424,"formula_full":"Sr1 Ca3 Al8 Si8 O40","formula_reduced":"SrCa3Al8(SiO5)8","formula_anonymous":"AB3C8D8E40","energy":-441.7729698600001,"energy_per_atom":-7.362882831000002,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-414.29296986,"band_gap":0.0268999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.0000014,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.112000Z","spacegroup":6},{"id":"mp-1073477","created_at":"2022-09-04T14:41:35.511673Z","structure_string":"Mg4 Si8\n1.0\n3.631622 0.000000 0.000000\n0.000000 5.332388 0.000000\n0.000000 0.918804 11.830048\nMg Si\n4 8\ndirect\n0.500000 0.980575 0.960640 Mg\n0.000000 0.168678 0.178033 Mg\n0.000000 0.651525 0.356196 Mg\n0.500000 0.355685 0.593754 Mg\n0.500000 0.477322 0.042054 Si\n0.500000 0.481742 0.840055 Si\n0.500000 0.867849 0.717174 Si\n0.500000 0.257393 0.349168 Si\n0.000000 0.209717 0.792192 Si\n0.000000 0.692751 0.119117 Si\n0.000000 0.097088 0.455707 Si\n0.000000 0.759743 0.595811 Si\n","nsites":12,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.333278521341475,"density_atomic":0.052380827921338774,"volume":229.0914534230084,"volume_molar":11.4968414952195,"formula_full":"Mg4 Si8","formula_reduced":"MgSi2","formula_anonymous":"AB2","energy":-47.9361005,"energy_per_atom":-3.994675041666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.5041005,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0027695,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.069000Z","spacegroup":6},{"id":"mp-759130","created_at":"2022-09-04T14:41:35.480784Z","structure_string":"Fe18 O18 F18\n1.0\n3.103013 0.000000 0.000000\n0.000000 14.223116 0.000000\n0.000000 0.057751 14.263090\nFe O F\n18 18 18\ndirect\n0.000000 0.987847 0.996057 Fe\n0.000000 0.992070 0.326614 Fe\n0.000000 0.993921 0.670151 Fe\n0.500000 0.845757 0.163480 Fe\n0.500000 0.833808 0.520592 Fe\n0.500000 0.846757 0.829838 Fe\n0.000000 0.654695 0.995921 Fe\n0.000000 0.656571 0.334535 Fe\n0.000000 0.663420 0.655706 Fe\n0.500000 0.512953 0.499999 Fe\n0.500000 0.517486 0.167720 Fe\n0.500000 0.495651 0.847319 Fe\n0.000000 0.332616 0.997878 Fe\n0.000000 0.320118 0.331253 Fe\n0.000000 0.319699 0.666369 Fe\n0.500000 0.183607 0.159975 Fe\n0.500000 0.180117 0.499608 Fe\n0.500000 0.161820 0.813501 Fe\n0.500000 0.934974 0.270312 O\n0.500000 0.937637 0.600451 O\n0.500000 0.935948 0.935526 O\n0.000000 0.899311 0.102763 O\n0.000000 0.893586 0.768008 O\n0.000000 0.766531 0.567412 O\n0.500000 0.604274 0.270563 O\n0.500000 0.597168 0.607021 O\n0.500000 0.602324 0.932732 O\n0.000000 0.565278 0.101355 O\n0.000000 0.565925 0.436892 O\n0.000000 0.429243 0.902256 O\n0.500000 0.268802 0.265790 O\n0.500000 0.268777 0.602843 O\n0.000000 0.236000 0.095368 O\n0.000000 0.231180 0.433856 O\n0.000000 0.234253 0.771887 O\n0.500000 0.062622 0.729284 O\n0.000000 0.900615 0.435215 F\n0.000000 0.768521 0.231996 F\n0.000000 0.767472 0.902175 F\n0.500000 0.731969 0.066309 F\n0.500000 0.726147 0.737484 F\n0.500000 0.736890 0.396737 F\n0.000000 0.561781 0.771727 F\n0.000000 0.435670 0.232932 F\n0.000000 0.433119 0.564813 F\n0.500000 0.397941 0.067883 F\n0.500000 0.398739 0.398152 F\n0.500000 0.402986 0.731062 F\n0.500000 0.265541 0.936164 F\n0.000000 0.103177 0.230043 F\n0.000000 0.102564 0.559619 F\n0.000000 0.102836 0.902332 F\n0.500000 0.067725 0.067549 F\n0.500000 0.063564 0.396973 F\n","nsites":54,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.313404230487461,"density_atomic":0.08578311057584703,"volume":629.4945431275158,"volume_molar":7.020193974751465,"formula_full":"Fe18 O18 F18","formula_reduced":"FeOF","formula_anonymous":"ABC","energy":-386.08778539,"energy_per_atom":-7.149773803518519,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-324.79778539,"band_gap":0.4029000000000002,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":90.0016316,"is_theoretical":true,"updated_at":"2021-11-28T01:35:27.430000Z","spacegroup":6},{"id":"mp-867680","created_at":"2022-09-04T14:41:35.714021Z","structure_string":"Na4 Tl4 O4\n1.0\n3.649193 0.000000 0.000000\n0.000000 6.143367 0.000000\n0.000000 0.011880 12.801773\nNa Tl O\n4 4 4\ndirect\n0.000000 0.335479 0.590314 Na\n0.000000 0.328550 0.916595 Na\n0.500000 0.166552 0.075786 Na\n0.500000 0.838117 0.911748 Na\n0.000000 0.665497 0.389827 Tl\n0.000000 0.666522 0.095575 Tl\n0.500000 0.171391 0.392813 Tl\n0.500000 0.830253 0.622944 Tl\n0.000000 0.992946 0.994242 O\n0.000000 0.003283 0.510886 O\n0.500000 0.499934 0.980914 O\n0.500000 0.501575 0.518358 O\n","nsites":12,"nelements":3,"elements":["Na","Tl","O"],"chemical_system":"Na-O-Tl","density":5.6325767948866385,"density_atomic":0.04181266321419526,"volume":286.9943954186119,"volume_molar":14.4026720545165,"formula_full":"Na4 Tl4 O4","formula_reduced":"NaTlO","formula_anonymous":"ABC","energy":-47.93528989,"energy_per_atom":-3.9946074908333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.18728989,"band_gap":0.1211999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.2e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.059000Z","spacegroup":6},{"id":"mp-759283","created_at":"2022-09-04T14:41:35.955048Z","structure_string":"Fe4 O4 F4\n1.0\n3.122415 0.000000 0.000000\n0.000000 4.751127 0.000000\n0.000000 0.017443 9.437230\nFe O F\n4 4 4\ndirect\n0.000000 0.975967 0.988829 Fe\n0.000000 0.977887 0.487880 Fe\n0.500000 0.483543 0.277579 Fe\n0.500000 0.548623 0.739023 Fe\n0.500000 0.805100 0.400467 O\n0.500000 0.806096 0.905350 O\n0.000000 0.706623 0.651403 O\n0.000000 0.297912 0.350264 O\n0.000000 0.695115 0.151822 F\n0.000000 0.307311 0.848853 F\n0.500000 0.195484 0.094171 F\n0.500000 0.200341 0.604358 F\n","nsites":12,"nelements":3,"elements":["Fe","O","F"],"chemical_system":"F-Fe-O","density":4.3099061385311375,"density_atomic":0.08571354204179385,"volume":140.0012146756088,"volume_molar":7.025891844562449,"formula_full":"Fe4 O4 F4","formula_reduced":"FeOF","formula_anonymous":"ABC","energy":-86.26355862,"energy_per_atom":-7.188629885,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.64355862,"band_gap":0.4687,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:28.584000Z","spacegroup":6},{"id":"mp-1227754","created_at":"2022-09-04T14:41:37.137164Z","structure_string":"Ca3 Ho1 Mn4 O12\n1.0\n7.578857 0.000000 0.000000\n0.000000 5.347414 0.000000\n0.000000 0.001742 5.467629\nCa Ho Mn O\n3 1 4 12\ndirect\n0.500000 0.008859 0.049208 Ca\n0.000000 0.508920 0.455084 Ca\n0.000000 0.989953 0.952565 Ca\n0.500000 0.487057 0.560769 Ho\n0.249118 0.997960 0.499144 Mn\n0.751109 0.501782 0.003857 Mn\n0.750882 0.997960 0.499144 Mn\n0.248891 0.501782 0.003857 Mn\n0.500000 0.580793 0.972832 O\n0.500000 0.905795 0.479700 O\n0.000000 0.417781 0.023411 O\n0.000000 0.078943 0.524571 O\n0.300325 0.213613 0.784675 O\n0.701041 0.299590 0.297935 O\n0.790361 0.798788 0.203699 O\n0.215566 0.699217 0.701619 O\n0.209639 0.798788 0.203699 O\n0.784434 0.699217 0.701619 O\n0.699675 0.213613 0.784675 O\n0.298959 0.299590 0.297935 O\n","nsites":20,"nelements":4,"elements":["Ca","Ho","Mn","O"],"chemical_system":"Ca-Ho-Mn-O","density":5.222504197542316,"density_atomic":0.09025752822687068,"volume":221.58816436594788,"volume_molar":6.67217558280877,"formula_full":"Ca3 Ho1 Mn4 O12","formula_reduced":"Ca3HoMn4O12","formula_anonymous":"AB3C4D12","energy":-159.70514667,"energy_per_atom":-7.9852573335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.78914667,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.0007707,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.213000Z","spacegroup":6},{"id":"mp-1003549","created_at":"2022-09-04T14:41:45.231522Z","structure_string":"Li1 Mn16 O32\n1.0\n5.879652 0.000000 0.000000\n0.000000 9.907570 0.000000\n0.000000 0.038440 9.958504\nLi Mn O\n1 16 32\ndirect\n0.000000 0.489122 0.421577 Li\n0.749311 0.167451 0.348110 Mn\n0.250689 0.167451 0.348110 Mn\n0.749383 0.348527 0.831093 Mn\n0.250617 0.348527 0.831093 Mn\n0.250933 0.650518 0.162988 Mn\n0.749067 0.650518 0.162988 Mn\n0.250311 0.833763 0.648685 Mn\n0.749689 0.833763 0.648685 Mn\n0.500000 0.666691 0.846286 Mn\n0.000000 0.666612 0.847020 Mn\n0.500000 0.847376 0.332180 Mn\n0.000000 0.848617 0.333100 Mn\n0.500000 0.151966 0.664492 Mn\n0.000000 0.151506 0.664545 Mn\n0.500000 0.332123 0.148878 Mn\n0.000000 0.331525 0.146089 Mn\n0.500000 0.957519 0.661264 O\n0.000000 0.957376 0.661045 O\n0.500000 0.665139 0.039743 O\n0.000000 0.664952 0.040062 O\n0.500000 0.334868 0.954241 O\n0.000000 0.334321 0.953768 O\n0.500000 0.041807 0.337798 O\n0.000000 0.042537 0.337981 O\n0.249199 0.456140 0.162381 O\n0.750801 0.456140 0.162381 O\n0.250117 0.169631 0.541733 O\n0.749883 0.169631 0.541733 O\n0.750003 0.830150 0.456225 O\n0.249997 0.830150 0.456225 O\n0.750091 0.542984 0.831987 O\n0.249909 0.542984 0.831987 O\n0.750331 0.795704 0.840980 O\n0.249669 0.795704 0.840980 O\n0.248892 0.842378 0.203605 O\n0.751108 0.842378 0.203605 O\n0.249746 0.203168 0.154910 O\n0.750254 0.203168 0.154910 O\n0.750096 0.156043 0.792994 O\n0.249904 0.156043 0.792994 O\n0.500000 0.298577 0.340867 O\n0.000000 0.303850 0.342115 O\n0.500000 0.345177 0.702111 O\n0.000000 0.345666 0.700553 O\n0.500000 0.704285 0.653632 O\n0.000000 0.702964 0.652941 O\n0.500000 0.650737 0.291291 O\n0.000000 0.647723 0.295351 O\n","nsites":49,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":4.0014906858035895,"density_atomic":0.08446624859690605,"volume":580.1133685223809,"volume_molar":7.1296415551010845,"formula_full":"Li1 Mn16 O32","formula_reduced":"LiMn16O32","formula_anonymous":"AB16C32","energy":-396.85114848000006,"energy_per_atom":-8.099003030204083,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-348.17914848,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":48.9943181,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.845000Z","spacegroup":6},{"id":"mp-1176492","created_at":"2022-09-04T14:41:45.867035Z","structure_string":"Mn4 Fe4 Co4 P12 O48\n1.0\n6.008836 0.000000 0.000000\n0.000000 9.859153 0.000000\n0.000000 0.042215 14.635405\nMn Fe Co P O\n4 4 4 12 48\ndirect\n0.000000 0.214472 0.147028 Mn\n0.500000 0.281916 0.978837 Mn\n0.500000 0.283752 0.645142 Mn\n0.500000 0.285686 0.310831 Mn\n0.000000 0.222098 0.820331 Fe\n0.000000 0.221824 0.487398 Fe\n0.000000 0.727579 0.344706 Fe\n0.000000 0.728561 0.010510 Fe\n0.000000 0.730506 0.675362 Co\n0.500000 0.773843 0.511006 Co\n0.500000 0.770738 0.840466 Co\n0.500000 0.772642 0.176540 Co\n0.500000 0.099166 0.806306 P\n0.500000 0.099540 0.473599 P\n0.500000 0.097953 0.139772 P\n0.000000 0.400998 0.972719 P\n0.000000 0.404766 0.639306 P\n0.000000 0.401750 0.305289 P\n0.500000 0.600340 0.694437 P\n0.500000 0.601009 0.361262 P\n0.500000 0.600091 0.026810 P\n0.000000 0.898876 0.861303 P\n0.000000 0.901019 0.531006 P\n0.000000 0.902004 0.195686 P\n0.000000 0.050235 0.883039 O\n0.000000 0.054546 0.219261 O\n0.000000 0.052174 0.554059 O\n0.500000 0.117707 0.911312 O\n0.500000 0.118790 0.578576 O\n0.500000 0.119073 0.243807 O\n0.297280 0.170239 0.759746 O\n0.702720 0.170239 0.759746 O\n0.299363 0.168123 0.090807 O\n0.700637 0.168123 0.090807 O\n0.296723 0.168922 0.426958 O\n0.703277 0.168922 0.426958 O\n0.802101 0.326170 0.923191 O\n0.197899 0.326170 0.923191 O\n0.198015 0.330260 0.589470 O\n0.801985 0.330260 0.589470 O\n0.799447 0.328587 0.257202 O\n0.200553 0.328587 0.257202 O\n0.000000 0.381104 0.742095 O\n0.000000 0.379722 0.408832 O\n0.000000 0.378848 0.076465 O\n0.500000 0.446881 0.714992 O\n0.500000 0.448264 0.382289 O\n0.500000 0.446929 0.048302 O\n0.000000 0.552079 0.950960 O\n0.000000 0.557507 0.617245 O\n0.000000 0.553861 0.282909 O\n0.500000 0.622123 0.922544 O\n0.500000 0.622492 0.589775 O\n0.500000 0.624334 0.256590 O\n0.299302 0.670676 0.743585 O\n0.700698 0.670676 0.743585 O\n0.298364 0.672678 0.409008 O\n0.701636 0.672678 0.409008 O\n0.298370 0.671905 0.075014 O\n0.701630 0.671905 0.075014 O\n0.799200 0.826969 0.579682 O\n0.200800 0.826969 0.579682 O\n0.800535 0.825822 0.909971 O\n0.199465 0.825822 0.909971 O\n0.800421 0.829327 0.244826 O\n0.199579 0.829327 0.244826 O\n0.000000 0.877626 0.756717 O\n0.000000 0.880201 0.427618 O\n0.000000 0.883215 0.091973 O\n0.500000 0.944444 0.787594 O\n0.500000 0.943273 0.121013 O\n0.500000 0.944168 0.455686 O\n","nsites":72,"nelements":5,"elements":["Mn","Fe","Co","P","O"],"chemical_system":"Co-Fe-Mn-O-P","density":3.48283410403969,"density_atomic":0.08304199884348823,"volume":867.0311529434712,"volume_molar":7.251921731014821,"formula_full":"Mn4 Fe4 Co4 P12 O48","formula_reduced":"MnFeCo(PO4)3","formula_anonymous":"ABCD3E12","energy":-564.63003298,"energy_per_atom":-7.842083791388889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-509.40603298,"band_gap":0.6409,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":51.9996434,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.846000Z","spacegroup":6},{"id":"mp-1100590","created_at":"2022-09-04T14:41:46.458502Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n2.922297 0.000000 0.000000\n0.000000 9.772645 0.000000\n0.000000 1.788340 10.182205\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.003063 0.248049 Li\n0.500000 0.006114 0.746626 Li\n0.000000 0.750233 0.372786 Li\n0.000000 0.738322 0.884137 Li\n0.500000 0.498493 0.478384 Li\n0.500000 0.496735 0.023103 Li\n0.000000 0.256925 0.133477 Li\n0.000000 0.255932 0.611954 Li\n0.000000 0.499216 0.250480 Li\n0.000000 0.993535 0.999679 Mn\n0.500000 0.751430 0.625637 Mn\n0.000000 0.012552 0.493865 Co\n0.500000 0.728753 0.142696 Co\n0.000000 0.495890 0.752497 Co\n0.500000 0.270035 0.358396 Co\n0.500000 0.250627 0.875593 Co\n0.500000 0.108073 0.050917 O\n0.500000 0.116170 0.558578 O\n0.000000 0.878404 0.167119 O\n0.000000 0.859778 0.682689 O\n0.500000 0.638517 0.307349 O\n0.500000 0.625913 0.795040 O\n0.000000 0.364655 0.931395 O\n0.000000 0.368653 0.435198 O\n0.500000 0.876723 0.456641 O\n0.500000 0.888446 0.940851 O\n0.000000 0.640122 0.571578 O\n0.000000 0.633436 0.064003 O\n0.500000 0.379289 0.700119 O\n0.500000 0.366676 0.193750 O\n0.000000 0.124676 0.319679 O\n0.000000 0.122613 0.827737 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.128668018007191,"density_atomic":0.11004534255804545,"volume":290.7892261148718,"volume_molar":5.472417659860081,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-208.13072943,"energy_per_atom":-6.5040852946875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.61272943,"band_gap":0.0035999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":13.9999143,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.447000Z","spacegroup":6},{"id":"mp-1178129","created_at":"2022-09-04T14:41:46.780365Z","structure_string":"Li12 Cr3 Co1 P4 C4 O28\n1.0\n6.465320 0.000000 0.000000\n0.000000 8.630287 0.000000\n0.000000 0.787256 9.971472\nLi Cr Co P C O\n12 3 1 4 4 28\ndirect\n0.000000 0.902880 0.615092 Li\n0.000000 0.896273 0.117942 Li\n0.225834 0.726574 0.873059 Li\n0.774166 0.726574 0.873059 Li\n0.226449 0.725722 0.373210 Li\n0.773551 0.725722 0.373210 Li\n0.724865 0.273233 0.625327 Li\n0.275135 0.273233 0.625327 Li\n0.726035 0.273063 0.127678 Li\n0.273965 0.273063 0.127678 Li\n0.500000 0.101683 0.883358 Li\n0.500000 0.102322 0.382667 Li\n0.500000 0.665926 0.604720 Cr\n0.500000 0.664469 0.107341 Cr\n0.000000 0.333358 0.893660 Cr\n0.000000 0.331867 0.397087 Co\n0.000000 0.588990 0.638034 P\n0.000000 0.584516 0.141922 P\n0.500000 0.411090 0.859829 P\n0.500000 0.410263 0.360837 P\n0.500000 0.968236 0.647592 C\n0.500000 0.967878 0.147507 C\n0.000000 0.030527 0.852813 C\n0.000000 0.039547 0.350972 C\n0.500000 0.941231 0.522948 O\n0.000000 0.889383 0.814987 O\n0.500000 0.939402 0.023235 O\n0.500000 0.850442 0.738833 O\n0.000000 0.896400 0.318075 O\n0.500000 0.851071 0.239749 O\n0.186691 0.688913 0.582103 O\n0.813309 0.688913 0.582103 O\n0.186243 0.686793 0.088731 O\n0.813757 0.686793 0.088731 O\n0.500000 0.577908 0.906907 O\n0.000000 0.579660 0.793645 O\n0.500000 0.577763 0.406701 O\n0.000000 0.567745 0.298378 O\n0.500000 0.420131 0.704212 O\n0.000000 0.422149 0.590954 O\n0.500000 0.419405 0.205005 O\n0.000000 0.421192 0.089690 O\n0.313331 0.311588 0.915981 O\n0.686669 0.311588 0.915981 O\n0.687629 0.311012 0.416258 O\n0.312371 0.311012 0.416258 O\n0.000000 0.148168 0.761248 O\n0.500000 0.109445 0.684983 O\n0.000000 0.155234 0.258272 O\n0.000000 0.057288 0.977307 O\n0.500000 0.109500 0.183934 O\n0.000000 0.072857 0.474870 O\n","nsites":52,"nelements":6,"elements":["Li","Cr","Co","P","C","O"],"chemical_system":"C-Co-Cr-Li-O-P","density":2.740191324793885,"density_atomic":0.09346065192027103,"volume":556.3838784728349,"volume_molar":6.44350390915028,"formula_full":"Li12 Cr3 Co1 P4 C4 O28","formula_reduced":"Li12Cr3CoP4(CO7)4","formula_anonymous":"AB3C4D4E12F28","energy":-379.07695002,"energy_per_atom":-7.289941346538462,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-352.20595002,"band_gap":1.5513,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":14.3290675,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.337000Z","spacegroup":6},{"id":"mp-1234949","created_at":"2022-09-04T14:41:47.514435Z","structure_string":"Ba4 Mg1 Tl8 O16\n1.0\n11.171326 0.279408 0.000000\n0.324327 12.209527 0.000000\n0.000000 0.000000 3.557689\nBa Mg Tl O\n4 1 8 16\ndirect\n0.244705 0.347772 0.750000 Ba\n0.264952 0.879109 0.250000 Ba\n0.745673 0.137674 0.750000 Ba\n0.753153 0.663297 0.250000 Ba\n0.209541 0.630746 0.250000 Mg\n0.025172 0.587492 0.750000 Tl\n0.071968 0.113537 0.750000 Tl\n0.462980 0.613601 0.250000 Tl\n0.422058 0.115374 0.250000 Tl\n0.583443 0.898752 0.750000 Tl\n0.565788 0.384276 0.750000 Tl\n0.939377 0.890851 0.250000 Tl\n0.891131 0.371786 0.250000 Tl\n0.035530 0.709007 0.250000 O\n0.088289 0.929865 0.750000 O\n0.131436 0.489088 0.250000 O\n0.209050 0.163760 0.250000 O\n0.274433 0.676058 0.750000 O\n0.390309 0.987735 0.750000 O\n0.420855 0.436248 0.250000 O\n0.466029 0.224563 0.750000 O\n0.536154 0.783950 0.250000 O\n0.593778 0.567478 0.750000 O\n0.615691 0.022571 0.250000 O\n0.695041 0.317388 0.250000 O\n0.810677 0.835688 0.750000 O\n0.854772 0.513199 0.750000 O\n0.922206 0.074965 0.250000 O\n0.982059 0.285210 0.750000 O\n","nsites":29,"nelements":4,"elements":["Ba","Mg","Tl","O"],"chemical_system":"Ba-Mg-O-Tl","density":8.439659566080174,"density_atomic":0.059801914189008175,"volume":484.93431010157053,"volume_molar":10.070147154431544,"formula_full":"Ba4 Mg1 Tl8 O16","formula_reduced":"Ba4MgTl8O16","formula_anonymous":"AB4C8D16","energy":-155.39982046999998,"energy_per_atom":-5.358614498965516,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-144.40782047,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:26.899000Z","spacegroup":6}]}