{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=10206","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-is_stable&page=10204","results":[{"id":"mp-754121","created_at":"2022-09-04T14:44:42.462552Z","structure_string":"Li4 Al2 Co2 O8\n1.0\n5.003307 0.000000 0.000000\n0.000000 5.503017 0.000000\n0.000000 0.000000 6.240762\nLi Al Co O\n4 2 2 8\ndirect\n0.992739 0.335290 0.249315 Li\n0.492739 0.664710 0.250685 Li\n0.992739 0.335290 0.750685 Li\n0.492739 0.664710 0.749315 Li\n0.498884 0.157540 0.000000 Al\n0.998884 0.842460 0.500000 Al\n0.994491 0.828961 0.000000 Co\n0.494491 0.171039 0.500000 Co\n0.855178 0.148437 0.000000 O\n0.371913 0.854739 0.000000 O\n0.897028 0.687151 0.261501 O\n0.397028 0.312849 0.238499 O\n0.871913 0.145261 0.500000 O\n0.355178 0.851563 0.500000 O\n0.397028 0.312849 0.761501 O\n0.897028 0.687151 0.738499 O\n","nsites":16,"nelements":4,"elements":["Li","Al","Co","O"],"chemical_system":"Al-Co-Li-O","density":3.165791727330294,"density_atomic":0.09311600950481218,"volume":171.8286692598562,"volume_molar":6.46735270553962,"formula_full":"Li4 Al2 Co2 O8","formula_reduced":"Li2AlCoO4","formula_anonymous":"ABC2D4","energy":-106.37532062,"energy_per_atom":-6.64845753875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-97.60332062,"band_gap":1.5069,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9975824,"is_theoretical":true,"updated_at":"2021-11-28T01:36:40.020000Z","spacegroup":31},{"id":"mp-555179","created_at":"2022-09-04T14:44:42.001586Z","structure_string":"Gd4 Mo4 O16 F4\n1.0\n12.568526 0.000000 0.000000\n0.000000 5.322792 0.000000\n0.000000 2.661087 6.280268\nGd Mo O F\n4 4 16 4\ndirect\n0.552394 0.638502 0.700637 Gd\n0.947606 0.638502 0.200637 Gd\n0.052394 0.361498 0.799363 Gd\n0.447606 0.361498 0.299363 Gd\n0.356903 0.077871 0.869753 Mo\n0.856903 0.922129 0.630247 Mo\n0.643097 0.922129 0.130247 Mo\n0.143097 0.077871 0.369753 Mo\n0.346839 0.764148 0.089427 O\n0.065829 0.305790 0.460601 O\n0.224557 0.192574 0.794116 O\n0.724557 0.807426 0.705884 O\n0.275443 0.192574 0.294116 O\n0.569369 0.994062 0.335708 O\n0.069369 0.005938 0.164292 O\n0.434171 0.305790 0.960601 O\n0.934171 0.694210 0.539399 O\n0.930631 0.994062 0.835708 O\n0.430631 0.005938 0.664292 O\n0.153161 0.764148 0.589427 O\n0.775443 0.807426 0.205884 O\n0.565829 0.694210 0.039399 O\n0.846839 0.235852 0.410573 O\n0.653161 0.235852 0.910573 O\n0.401929 0.549115 0.535103 F\n0.901929 0.450885 0.964897 F\n0.098071 0.549115 0.035103 F\n0.598071 0.450885 0.464897 F\n","nsites":28,"nelements":4,"elements":["Gd","Mo","O","F"],"chemical_system":"F-Gd-Mo-O","density":5.314797187680995,"density_atomic":0.0666432258839784,"volume":420.14772887414256,"volume_molar":9.036388440265725,"formula_full":"Gd4 Mo4 O16 F4","formula_reduced":"GdMoO4F","formula_anonymous":"ABCD4","energy":-269.52969103000004,"energy_per_atom":-9.626060393928572,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-243.88169103,"band_gap":3.371,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.0027404,"is_theoretical":false,"updated_at":"2021-11-28T01:36:44.634000Z","spacegroup":14},{"id":"mp-705127","created_at":"2022-09-04T14:44:42.127103Z","structure_string":"Mo8 P12 Pb8 Br4 O60\n1.0\n0.000000 6.607310 16.617849\n6.543985 0.000000 16.617849\n6.543985 6.607310 0.000000\nMo P Pb Br O\n8 12 8 4 60\ndirect\n0.844644 0.361538 0.147403 Mo\n0.389795 0.901167 0.106411 Mo\n0.143589 0.647373 0.860205 Mo\n0.102597 0.603584 0.405356 Mo\n0.888462 0.405356 0.603584 Mo\n0.646416 0.147403 0.361538 Mo\n0.602627 0.106411 0.901167 Mo\n0.348833 0.860205 0.647373 Mo\n0.873020 0.876847 0.632719 P\n0.878911 0.880732 0.128179 P\n0.921317 0.578683 0.578683 P\n0.424661 0.075339 0.075339 P\n0.373153 0.376980 0.632587 P\n0.112178 0.128179 0.880732 P\n0.121821 0.137822 0.371089 P\n0.174661 0.825339 0.825339 P\n0.671317 0.328683 0.328683 P\n0.369268 0.371089 0.137822 P\n0.617413 0.632719 0.876847 P\n0.617281 0.632587 0.376980 P\n0.179239 0.320761 0.320761 Pb\n0.929239 0.070761 0.070761 Pb\n0.675911 0.824089 0.824089 Pb\n0.945105 0.116408 0.557629 Pb\n0.692371 0.869141 0.304895 Pb\n0.133592 0.304895 0.869141 Pb\n0.380859 0.557629 0.116408 Pb\n0.425911 0.574089 0.574089 Pb\n0.126778 0.867903 0.371758 Br\n0.382097 0.123222 0.616439 Br\n0.878242 0.616439 0.123222 Br\n0.633561 0.371758 0.867903 Br\n0.087703 0.601539 0.912752 O\n0.962970 0.462579 0.548290 O\n0.560472 0.749404 0.944133 O\n0.255631 0.439898 0.560971 O\n0.441846 0.053306 0.242854 O\n0.236791 0.060333 0.942542 O\n0.261993 0.242854 0.053306 O\n0.221565 0.704480 0.798778 O\n0.480887 0.317599 0.209725 O\n0.196694 0.808154 0.988007 O\n0.026161 0.548290 0.462579 O\n0.446053 0.241135 0.075756 O\n0.995441 0.185248 0.007500 O\n0.692005 0.306959 0.494126 O\n0.755874 0.743090 0.557995 O\n0.506910 0.494126 0.306959 O\n0.689029 0.506500 0.994369 O\n0.861105 0.058151 0.637747 O\n0.337248 0.851994 0.162297 O\n0.544094 0.760118 0.261368 O\n0.307458 0.489666 0.013209 O\n0.174244 0.012943 0.803947 O\n0.810102 0.994369 0.506500 O\n0.434420 0.261368 0.760118 O\n0.743500 0.560971 0.439898 O\n0.787421 0.287030 0.223839 O\n0.545520 0.028435 0.974822 O\n0.501070 0.303537 0.513940 O\n0.932401 0.769113 0.258212 O\n0.451222 0.974822 0.028435 O\n0.946463 0.748930 0.568547 O\n0.608545 0.082821 0.396904 O\n0.007146 0.988007 0.808154 O\n0.988632 0.815580 0.705906 O\n0.991788 0.209725 0.317599 O\n0.189667 0.013209 0.489666 O\n0.681453 0.513940 0.303537 O\n0.745990 0.944134 0.749404 O\n0.398006 0.912752 0.601539 O\n0.167179 0.641455 0.338270 O\n0.489882 0.705906 0.815580 O\n0.612253 0.807003 0.388895 O\n0.648461 0.162297 0.851994 O\n0.853096 0.338270 0.641455 O\n0.275178 0.798778 0.704480 O\n0.305866 0.504010 0.689528 O\n0.701710 0.223839 0.287030 O\n0.943041 0.557995 0.743090 O\n0.064752 0.254559 0.438189 O\n0.911730 0.396904 0.082821 O\n0.500596 0.689528 0.504010 O\n0.736060 0.568547 0.748930 O\n0.191849 0.388895 0.807003 O\n0.237057 0.075756 0.241135 O\n0.008865 0.803947 0.012943 O\n0.811811 0.007500 0.185248 O\n0.760334 0.942542 0.060333 O\n0.242500 0.438189 0.254559 O\n0.040275 0.258212 0.769113 O\n0.442997 0.637747 0.058151 O\n","nsites":92,"nelements":5,"elements":["Mo","P","Pb","Br","O"],"chemical_system":"Br-Mo-O-P-Pb","density":4.710342913973272,"density_atomic":0.06402005526583027,"volume":1437.0496810411785,"volume_molar":9.406647237329436,"formula_full":"Mo8 P12 Pb8 Br4 O60","formula_reduced":"Mo2P3Pb2BrO15","formula_anonymous":"AB2C2D3E15","energy":-671.14332762,"energy_per_atom":-7.295036169782609,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-602.17132762,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.9684054,"is_theoretical":false,"updated_at":"2021-11-28T01:36:42.431000Z","spacegroup":43},{"id":"mp-1112909","created_at":"2022-09-04T14:44:42.354387Z","structure_string":"Cs2 Y1 Cu1 Cl6\n1.0\n0.000000 5.271473 5.271473\n5.271473 0.000000 5.271473\n5.271473 5.271473 0.000000\nCs Y Cu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Cu\n0.752337 0.247663 0.247663 Cl\n0.247663 0.247663 0.752337 Cl\n0.247663 0.752337 0.752337 Cl\n0.247663 0.752337 0.247663 Cl\n0.752337 0.247663 0.752337 Cl\n0.752337 0.752337 0.247663 Cl\n","nsites":10,"nelements":4,"elements":["Cs","Y","Cu","Cl"],"chemical_system":"Cl-Cs-Cu-Y","density":3.576343746087239,"density_atomic":0.03413296732558099,"volume":292.9718915034231,"volume_molar":17.64317969357062,"formula_full":"Cs2 Y1 Cu1 Cl6","formula_reduced":"Cs2YCuCl6","formula_anonymous":"ABC2D6","energy":-45.04249395000001,"energy_per_atom":-4.504249395,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-41.35849395,"band_gap":2.5338,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.17e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:36:44.846000Z","spacegroup":225},{"id":"mp-10765","created_at":"2022-09-04T14:44:42.412163Z","structure_string":"Ho1\n1.0\n0.000000 2.491822 2.491822\n2.491822 0.000000 2.491822\n2.491822 2.491822 0.000000\nHo\n1\ndirect\n0.000000 0.000000 0.000000 Ho\n","nsites":1,"nelements":1,"elements":["Ho"],"chemical_system":"Ho","density":8.85051527311001,"density_atomic":0.0323161010004815,"volume":30.944327101375887,"volume_molar":18.63510935279684,"formula_full":"Ho1","formula_reduced":"Ho","formula_anonymous":"A","energy":-4.55874995,"energy_per_atom":-4.55874995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-4.55874995,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029465,"is_theoretical":false,"updated_at":"2021-11-28T01:36:42.289000Z","spacegroup":225},{"id":"mp-1096730","created_at":"2022-09-04T14:44:42.428668Z","structure_string":"Ti2 Nb1 Sn1\n1.0\n-4.883271 5.849626 7.831330\n4.883271 -5.849626 7.831330\n4.883271 5.849626 -7.831330\nTi Nb Sn\n2 1 1\ndirect\n0.000000 0.226720 0.226720 Ti\n0.000000 0.773280 0.773280 Ti\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Sn\n","nsites":4,"nelements":3,"elements":["Ti","Nb","Sn"],"chemical_system":"Nb-Sn-Ti","density":0.5703591449548521,"density_atomic":0.004470185533342566,"volume":894.817445532068,"volume_molar":134.71791528744365,"formula_full":"Ti2 Nb1 Sn1","formula_reduced":"Ti2NbSn","formula_anonymous":"ABC2","energy":-17.40652733,"energy_per_atom":-4.3516318325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-17.40652733,"band_gap":0.2756000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.3236598,"is_theoretical":true,"updated_at":"2021-11-28T01:36:39.941000Z","spacegroup":71},{"id":"mp-1112133","created_at":"2022-09-04T14:44:42.464601Z","structure_string":"Cs2 Rb1 Al1 I6\n1.0\n0.000000 6.278717 6.278717\n6.278717 0.000000 6.278717\n6.278717 6.278717 0.000000\nCs Rb Al I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Al\n0.778425 0.221575 0.221575 I\n0.221575 0.221575 0.778425 I\n0.221575 0.778425 0.778425 I\n0.221575 0.778425 0.221575 I\n0.778425 0.221575 0.778425 I\n0.778425 0.778425 0.221575 I\n","nsites":10,"nelements":4,"elements":["Cs","Rb","Al","I"],"chemical_system":"Al-Cs-I-Rb","density":3.8228916944011004,"density_atomic":0.020200274848600614,"volume":495.04276921720975,"volume_molar":29.812172384462322,"formula_full":"Cs2 Rb1 Al1 I6","formula_reduced":"Cs2RbAlI6","formula_anonymous":"ABC2D6","energy":-29.30247999,"energy_per_atom":-2.9302479989999997,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.02847999,"band_gap":1.8835,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0013321,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.062000Z","spacegroup":225},{"id":"mp-638100","created_at":"2022-09-04T14:44:42.619613Z","structure_string":"Ce4 Tl8 P8 S28\n1.0\n6.787218 0.000000 0.000000\n0.000000 9.398714 0.000000\n0.000000 6.773721 19.774913\nCe Tl P S\n4 8 8 28\ndirect\n0.975793 0.338388 0.847801 Ce\n0.475793 0.661612 0.652199 Ce\n0.024207 0.661612 0.152199 Ce\n0.524207 0.338388 0.347801 Ce\n0.491416 0.822405 0.314087 Tl\n0.986335 0.754249 0.490218 Tl\n0.513665 0.754249 0.990218 Tl\n0.008584 0.822405 0.814087 Tl\n0.013665 0.245751 0.509782 Tl\n0.508584 0.177595 0.685913 Tl\n0.991416 0.177595 0.185913 Tl\n0.486335 0.245751 0.009782 Tl\n0.010955 0.431689 0.666068 P\n0.506895 0.032975 0.546939 P\n0.510955 0.568311 0.833932 P\n0.489045 0.431689 0.166068 P\n0.993105 0.032975 0.046939 P\n0.006895 0.967025 0.953061 P\n0.989045 0.568311 0.333932 P\n0.493105 0.967025 0.453061 P\n0.743602 0.925557 0.599427 S\n0.756398 0.925557 0.099427 S\n0.243602 0.074443 0.900573 S\n0.001314 0.777052 0.265168 S\n0.057665 0.587061 0.716730 S\n0.761919 0.475378 0.607199 S\n0.759528 0.053552 0.899684 S\n0.261919 0.524622 0.892801 S\n0.740472 0.053552 0.399684 S\n0.020686 0.742468 0.988526 S\n0.557665 0.412939 0.783270 S\n0.520686 0.257532 0.511474 S\n0.238081 0.524622 0.392801 S\n0.259528 0.946448 0.600316 S\n0.253109 0.451378 0.102092 S\n0.746891 0.548622 0.897908 S\n0.246891 0.451378 0.602092 S\n0.240472 0.946448 0.100316 S\n0.501314 0.222948 0.234832 S\n0.738081 0.475378 0.107199 S\n0.442335 0.587061 0.216730 S\n0.979314 0.257532 0.011474 S\n0.498686 0.777052 0.765168 S\n0.479314 0.742468 0.488526 S\n0.942335 0.412939 0.283270 S\n0.998686 0.222948 0.734832 S\n0.753109 0.548622 0.397908 S\n0.256398 0.074443 0.400573 S\n","nsites":48,"nelements":4,"elements":["Ce","Tl","P","S"],"chemical_system":"Ce-P-S-Tl","density":4.398139713469927,"density_atomic":0.038051030506534016,"volume":1261.4638647370555,"volume_molar":15.826485327291977,"formula_full":"Ce4 Tl8 P8 S28","formula_reduced":"CeTl2P2S7","formula_anonymous":"AB2C2D7","energy":-251.16956496,"energy_per_atom":-5.23269927,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-237.08556496,"band_gap":0.2328999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:45.801000Z","spacegroup":14},{"id":"mp-1201817","created_at":"2022-09-04T14:44:42.887759Z","structure_string":"Er6 Si22 Pt46\n1.0\n0.000000 8.505573 8.505573\n8.505573 0.000000 8.505573\n8.505573 8.505573 0.000000\nEr Si Pt\n6 22 46\ndirect\n0.000000 0.000000 0.500000 Er\n0.500000 0.000000 0.500000 Er\n0.000000 0.500000 0.500000 Er\n0.500000 0.500000 0.000000 Er\n0.000000 0.500000 0.000000 Er\n0.500000 0.000000 0.000000 Er\n0.828263 0.828263 0.171737 Si\n0.171737 0.828263 0.171737 Si\n0.828263 0.171737 0.171737 Si\n0.171737 0.171737 0.828263 Si\n0.828263 0.171737 0.828263 Si\n0.171737 0.828263 0.828263 Si\n0.834893 0.834893 0.495320 Si\n0.834893 0.495320 0.834893 Si\n0.495320 0.834893 0.834893 Si\n0.834893 0.834893 0.834893 Si\n0.165107 0.165107 0.504680 Si\n0.165107 0.504680 0.165107 Si\n0.504680 0.165107 0.165107 Si\n0.165107 0.165107 0.165107 Si\n0.606340 0.606340 0.180980 Si\n0.606340 0.180980 0.606340 Si\n0.180980 0.606340 0.606340 Si\n0.606340 0.606340 0.606340 Si\n0.393660 0.393660 0.819020 Si\n0.393660 0.819020 0.393660 Si\n0.819020 0.393660 0.393660 Si\n0.393660 0.393660 0.393660 Si\n0.917282 0.917282 0.248154 Pt\n0.917282 0.248154 0.917282 Pt\n0.248154 0.917282 0.917282 Pt\n0.917282 0.917282 0.917282 Pt\n0.082718 0.082718 0.751846 Pt\n0.082718 0.751846 0.082718 Pt\n0.751846 0.082718 0.082718 Pt\n0.082718 0.082718 0.082718 Pt\n0.691829 0.691829 0.924512 Pt\n0.691829 0.924512 0.691829 Pt\n0.924512 0.691829 0.691829 Pt\n0.691829 0.691829 0.691829 Pt\n0.308171 0.308171 0.075488 Pt\n0.308171 0.075488 0.308171 Pt\n0.075488 0.308171 0.308171 Pt\n0.308171 0.308171 0.308171 Pt\n0.625458 0.625458 0.374542 Pt\n0.374542 0.625458 0.374542 Pt\n0.625458 0.374542 0.374542 Pt\n0.374542 0.374542 0.625458 Pt\n0.625458 0.374542 0.625458 Pt\n0.374542 0.625458 0.625458 Pt\n0.747832 0.082586 0.421750 Pt\n0.747832 0.747832 0.421750 Pt\n0.082586 0.747832 0.421750 Pt\n0.747832 0.421750 0.082586 Pt\n0.082586 0.421750 0.747832 Pt\n0.747832 0.421750 0.747832 Pt\n0.421750 0.747832 0.747832 Pt\n0.421750 0.082586 0.747832 Pt\n0.421750 0.747832 0.082586 Pt\n0.082586 0.747832 0.747832 Pt\n0.747832 0.747832 0.082586 Pt\n0.747832 0.082586 0.747832 Pt\n0.252168 0.917414 0.578250 Pt\n0.252168 0.252168 0.578250 Pt\n0.917414 0.252168 0.578250 Pt\n0.252168 0.578250 0.917414 Pt\n0.917414 0.578250 0.252168 Pt\n0.252168 0.578250 0.252168 Pt\n0.578250 0.252168 0.252168 Pt\n0.578250 0.917414 0.252168 Pt\n0.578250 0.252168 0.917414 Pt\n0.917414 0.252168 0.252168 Pt\n0.252168 0.252168 0.917414 Pt\n0.252168 0.917414 0.252168 Pt\n","nsites":74,"nelements":3,"elements":["Er","Si","Pt"],"chemical_system":"Er-Pt-Si","density":14.29623208567076,"density_atomic":0.060129971103783424,"volume":1230.6674798209551,"volume_molar":10.015206475994933,"formula_full":"Er6 Si22 Pt46","formula_reduced":"Er3Si11Pt23","formula_anonymous":"A3B11C23","energy":-489.40375162,"energy_per_atom":-6.613564211081081,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-489.40375162,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.3934228,"is_theoretical":false,"updated_at":"2021-11-28T01:36:45.543000Z","spacegroup":225},{"id":"mp-561383","created_at":"2022-09-04T14:44:42.924316Z","structure_string":"Cs4 Os4 N4 O12\n1.0\n7.465184 0.000000 0.000000\n0.000000 8.306173 0.000000\n0.000000 0.000000 8.613713\nCs Os N O\n4 4 4 12\ndirect\n0.250000 0.153155 0.631130 Cs\n0.750000 0.846845 0.368870 Cs\n0.250000 0.346845 0.131130 Cs\n0.750000 0.653155 0.868870 Cs\n0.750000 0.156453 0.880071 Os\n0.250000 0.656453 0.619929 Os\n0.750000 0.343547 0.380071 Os\n0.250000 0.843547 0.119929 Os\n0.750000 0.044881 0.714086 N\n0.750000 0.455119 0.214086 N\n0.250000 0.955119 0.285914 N\n0.250000 0.544881 0.785914 N\n0.750000 0.021705 0.038192 O\n0.555590 0.277925 0.879043 O\n0.250000 0.521705 0.461808 O\n0.944410 0.222075 0.379043 O\n0.055590 0.722075 0.120957 O\n0.444410 0.722075 0.120957 O\n0.250000 0.978295 0.961808 O\n0.944410 0.277925 0.879043 O\n0.055590 0.777925 0.620957 O\n0.555590 0.222075 0.379043 O\n0.750000 0.478295 0.538192 O\n0.444410 0.777925 0.620957 O\n","nsites":24,"nelements":4,"elements":["Cs","Os","N","O"],"chemical_system":"Cs-N-O-Os","density":4.789566696717669,"density_atomic":0.04493444225418185,"volume":534.1114476115797,"volume_molar":13.40205966268458,"formula_full":"Cs4 Os4 N4 O12","formula_reduced":"CsOsNO3","formula_anonymous":"ABCD3","energy":-174.3261063,"energy_per_atom":-7.263587762499999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-164.6381063,"band_gap":2.9029,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0013123,"is_theoretical":false,"updated_at":"2021-11-28T01:36:45.269000Z","spacegroup":62},{"id":"mp-652366","created_at":"2022-09-04T14:44:42.972028Z","structure_string":"Mo8 Pb40 O64\n1.0\n12.116450 0.000000 0.000000\n0.000000 12.014362 0.000000\n0.000000 11.869853 15.917907\nMo Pb O\n8 40 64\ndirect\n0.909230 0.788384 0.560503 Mo\n0.090770 0.211616 0.439497 Mo\n0.098519 0.679971 0.939661 Mo\n0.590770 0.788384 0.060503 Mo\n0.401481 0.679971 0.439661 Mo\n0.901481 0.320029 0.060339 Mo\n0.409230 0.211616 0.939497 Mo\n0.598519 0.320029 0.560339 Mo\n0.255580 0.593635 0.794875 Pb\n0.078235 0.939539 0.695860 Pb\n0.747210 0.694187 0.921142 Pb\n0.252930 0.826098 0.074945 Pb\n0.937001 0.824197 0.065261 Pb\n0.421765 0.939539 0.195860 Pb\n0.077661 0.659083 0.439028 Pb\n0.416777 0.451235 0.682842 Pb\n0.422339 0.659083 0.939028 Pb\n0.760989 0.907676 0.197283 Pb\n0.752930 0.173902 0.425055 Pb\n0.562999 0.824197 0.565261 Pb\n0.062999 0.175803 0.934739 Pb\n0.582200 0.581910 0.813070 Pb\n0.239011 0.092324 0.802717 Pb\n0.752790 0.694187 0.421142 Pb\n0.917800 0.581910 0.313070 Pb\n0.577661 0.340917 0.060972 Pb\n0.914538 0.083011 0.810060 Pb\n0.585462 0.083011 0.310060 Pb\n0.247070 0.826098 0.574945 Pb\n0.755580 0.406365 0.705125 Pb\n0.252790 0.305813 0.078858 Pb\n0.583223 0.548765 0.317158 Pb\n0.921765 0.060461 0.304140 Pb\n0.437001 0.175803 0.434739 Pb\n0.083223 0.451235 0.182842 Pb\n0.922339 0.340917 0.560972 Pb\n0.744420 0.406365 0.205125 Pb\n0.085462 0.916989 0.189940 Pb\n0.578235 0.060461 0.804140 Pb\n0.417800 0.418090 0.186930 Pb\n0.082200 0.418090 0.686930 Pb\n0.244420 0.593635 0.294875 Pb\n0.247210 0.305813 0.578858 Pb\n0.916777 0.548765 0.817158 Pb\n0.747070 0.173902 0.925055 Pb\n0.260989 0.092324 0.302717 Pb\n0.414538 0.916989 0.689940 Pb\n0.739011 0.907676 0.697283 Pb\n0.542249 0.926902 0.955751 O\n0.497828 0.746320 0.143306 O\n0.174368 0.618221 0.182001 O\n0.396151 0.365198 0.934589 O\n0.669796 0.895514 0.809366 O\n0.080974 0.180708 0.815145 O\n0.212734 0.576132 0.947863 O\n0.526756 0.639002 0.410471 O\n0.408851 0.684074 0.811878 O\n0.233402 0.331986 0.188121 O\n0.919026 0.819292 0.184855 O\n0.473244 0.360998 0.589529 O\n0.603849 0.634802 0.065411 O\n0.330204 0.104486 0.190634 O\n0.270655 0.835715 0.187250 O\n0.830204 0.895514 0.309366 O\n0.896151 0.634802 0.565411 O\n0.911393 0.568646 0.436394 O\n0.908851 0.315926 0.688122 O\n0.631530 0.142717 0.642482 O\n0.997828 0.253680 0.356694 O\n0.766598 0.668014 0.811879 O\n0.457751 0.073098 0.044249 O\n0.103849 0.365198 0.434589 O\n0.002172 0.746320 0.643306 O\n0.083358 0.663537 0.036024 O\n0.229345 0.835715 0.687250 O\n0.787266 0.423868 0.052137 O\n0.275730 0.168374 0.920534 O\n0.091149 0.684074 0.311878 O\n0.588607 0.568646 0.936394 O\n0.325632 0.618221 0.682001 O\n0.825632 0.381779 0.817999 O\n0.411393 0.431354 0.063606 O\n0.502172 0.253680 0.856694 O\n0.583358 0.336463 0.463976 O\n0.594852 0.052349 0.442344 O\n0.088607 0.431354 0.563606 O\n0.419026 0.180708 0.315145 O\n0.905148 0.052349 0.942344 O\n0.042249 0.073098 0.544249 O\n0.131530 0.857283 0.857518 O\n0.729345 0.164285 0.812750 O\n0.580974 0.819292 0.684855 O\n0.733402 0.668014 0.311879 O\n0.724270 0.831626 0.079466 O\n0.973244 0.639002 0.910471 O\n0.416642 0.663537 0.536024 O\n0.712734 0.423868 0.552137 O\n0.026756 0.360998 0.089529 O\n0.368470 0.857283 0.357518 O\n0.405148 0.947651 0.557656 O\n0.287266 0.576132 0.447863 O\n0.094852 0.947651 0.057656 O\n0.674368 0.381779 0.317999 O\n0.775730 0.831626 0.579466 O\n0.957751 0.926902 0.455751 O\n0.770655 0.164285 0.312750 O\n0.224270 0.168374 0.420534 O\n0.868470 0.142717 0.142482 O\n0.916642 0.336463 0.963976 O\n0.169796 0.104486 0.690634 O\n0.591149 0.315926 0.188122 O\n0.266598 0.331986 0.688121 O\n","nsites":112,"nelements":3,"elements":["Mo","Pb","O"],"chemical_system":"Mo-O-Pb","density":7.2231265363189925,"density_atomic":0.048334357704785946,"volume":2317.1922689873677,"volume_molar":12.45933751055867,"formula_full":"Mo8 Pb40 O64","formula_reduced":"MoPb5O8","formula_anonymous":"AB5C8","energy":-738.3121436199999,"energy_per_atom":-6.5920727108928565,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-668.72814362,"band_gap":2.2301,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0062567,"is_theoretical":false,"updated_at":"2021-11-28T01:36:40.850000Z","spacegroup":14},{"id":"mp-3297","created_at":"2022-09-04T14:44:42.112141Z","structure_string":"Li20 Zn8 O18\n1.0\n9.833330 0.000000 0.000000\n0.000000 9.833330 0.000000\n0.000000 0.000000 4.709135\nLi Zn O\n20 8 18\ndirect\n0.643832 0.187571 0.289639 Li\n0.356168 0.812429 0.289639 Li\n0.312429 0.143832 0.789639 Li\n0.687571 0.856168 0.789639 Li\n0.187571 0.643832 0.710361 Li\n0.143832 0.312429 0.210361 Li\n0.856168 0.687571 0.210361 Li\n0.812429 0.356168 0.710361 Li\n0.187571 0.356168 0.710361 Li\n0.812429 0.643832 0.710361 Li\n0.312429 0.856168 0.789639 Li\n0.356168 0.187571 0.289639 Li\n0.643832 0.812429 0.289639 Li\n0.687571 0.143832 0.789639 Li\n0.000000 0.500000 0.169053 Li\n0.000000 0.500000 0.669053 Li\n0.500000 0.000000 0.330947 Li\n0.500000 0.000000 0.830947 Li\n0.143832 0.687571 0.210361 Li\n0.856168 0.312429 0.210361 Li\n0.661941 0.500000 0.231455 Zn\n0.338059 0.500000 0.231455 Zn\n0.000000 0.161941 0.731455 Zn\n0.000000 0.838059 0.731455 Zn\n0.500000 0.661941 0.768545 Zn\n0.161941 0.000000 0.268545 Zn\n0.838059 0.000000 0.268545 Zn\n0.500000 0.338059 0.768545 Zn\n0.173420 0.173420 0.500000 O\n0.326580 0.673420 0.000000 O\n0.826580 0.173420 0.500000 O\n0.673420 0.673420 0.000000 O\n0.326580 0.326580 0.000000 O\n0.173420 0.826580 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.657409 0.000000 0.070518 O\n0.342591 0.000000 0.070518 O\n0.500000 0.157409 0.570518 O\n0.500000 0.842591 0.570518 O\n0.000000 0.657409 0.929482 O\n0.157409 0.500000 0.429482 O\n0.842591 0.500000 0.429482 O\n0.000000 0.342591 0.929482 O\n0.673420 0.326580 0.000000 O\n0.826580 0.826580 0.500000 O\n","nsites":46,"nelements":3,"elements":["Li","Zn","O"],"chemical_system":"Li-O-Zn","density":3.464714495088697,"density_atomic":0.10102188380666412,"volume":455.3468839289801,"volume_molar":5.961223977495,"formula_full":"Li20 Zn8 O18","formula_reduced":"Li10Zn4O9","formula_anonymous":"A4B9C10","energy":-228.94799728,"energy_per_atom":-4.977130375652174,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-216.58199728,"band_gap":2.329,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":3.3e-06,"is_theoretical":false,"updated_at":"2021-11-28T01:36:44.008000Z","spacegroup":137}]}