{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=10232","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy&page=10230","results":[{"id":"mp-1026931","created_at":"2022-09-04T14:41:01.735108Z","structure_string":"Te2 Mo3 W1 Se4 S2\n1.0\n1.673540 -2.898656 0.000000\n1.673540 2.898656 0.000000\n0.000000 0.000000 38.097169\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.333333 0.666667 0.419547 Te\n0.333333 0.666667 0.519680 Te\n0.000000 0.000000 0.093925 Mo\n0.333333 0.666667 0.281788 Mo\n0.333333 0.666667 0.657587 Mo\n0.000000 0.000000 0.469630 W\n0.000000 0.000000 0.701345 Se\n0.333333 0.666667 0.050168 Se\n0.333333 0.666667 0.137690 Se\n0.000000 0.000000 0.613803 Se\n0.000000 0.000000 0.321596 S\n0.000000 0.000000 0.241990 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":4.972497162636536,"density_atomic":0.03246577471060186,"volume":369.6200108257802,"volume_molar":18.5491977742131,"formula_full":"Te2 Mo3 W1 Se4 S2","formula_reduced":"Te2Mo3W(Se2S)2","formula_anonymous":"AB2C2D3E4","energy":-84.15523809,"energy_per_atom":-7.0129365075,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.41723809,"band_gap":1.7965999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0081469,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.467000Z","spacegroup":156},{"id":"mp-755196","created_at":"2022-09-04T14:41:01.739229Z","structure_string":"Li1 V4 O5 F7\n1.0\n5.265758 0.000000 0.000000\n-0.061762 5.453879 0.000000\n-0.054036 -0.477577 7.239508\nLi V O F\n1 4 5 7\ndirect\n0.980069 0.580695 0.200524 Li\n0.509804 0.494050 0.478786 V\n0.482471 0.493520 0.975159 V\n0.011998 0.031418 0.020521 V\n0.002546 0.997468 0.516201 V\n0.923243 0.981388 0.254238 O\n0.595362 0.499964 0.251960 O\n0.425822 0.503465 0.744725 O\n0.184860 0.315477 0.047473 O\n0.070646 0.991784 0.747747 O\n0.814282 0.311617 0.545639 F\n0.808990 0.690924 0.968400 F\n0.690662 0.195449 0.960059 F\n0.682516 0.808496 0.545457 F\n0.314398 0.185590 0.454677 F\n0.299608 0.799213 0.053801 F\n0.182319 0.671116 0.441194 F\n","nsites":17,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":3.3839563882304016,"density_atomic":0.08176613589603754,"volume":207.91003284800982,"volume_molar":7.365079313099641,"formula_full":"Li1 V4 O5 F7","formula_reduced":"LiV4O5F7","formula_anonymous":"AB4C5D7","energy":-123.56930868,"energy_per_atom":-7.268782863529412,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.10030868,"band_gap":0.8755,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0000431,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.689000Z","spacegroup":1},{"id":"mp-1194208","created_at":"2022-09-04T14:41:01.795085Z","structure_string":"Sr4 Yb8 S16\n1.0\n4.313227 0.000000 0.000000\n0.000000 11.080608 0.000000\n0.000000 0.000000 14.631203\nSr Yb S\n4 8 16\ndirect\n0.250000 0.775339 0.316748 Sr\n0.250000 0.275339 0.183252 Sr\n0.750000 0.224661 0.683252 Sr\n0.750000 0.724661 0.816748 Sr\n0.250000 0.449041 0.385681 Yb\n0.250000 0.949041 0.114319 Yb\n0.750000 0.550959 0.614319 Yb\n0.750000 0.050959 0.885681 Yb\n0.250000 0.392968 0.891677 Yb\n0.250000 0.892968 0.608323 Yb\n0.750000 0.607032 0.108323 Yb\n0.750000 0.107032 0.391677 Yb\n0.250000 0.172671 0.824352 S\n0.250000 0.672671 0.675648 S\n0.750000 0.827329 0.175648 S\n0.750000 0.327329 0.324352 S\n0.250000 0.187567 0.524341 S\n0.250000 0.687567 0.975659 S\n0.750000 0.812433 0.475659 S\n0.750000 0.312433 0.024341 S\n0.250000 0.041007 0.292922 S\n0.250000 0.541007 0.207078 S\n0.750000 0.958993 0.707078 S\n0.750000 0.458993 0.792922 S\n0.250000 0.369426 0.573629 S\n0.250000 0.869426 0.926371 S\n0.750000 0.630574 0.426371 S\n0.750000 0.130574 0.073629 S\n","nsites":28,"nelements":3,"elements":["Sr","Yb","S"],"chemical_system":"S-Sr-Yb","density":5.33787685600166,"density_atomic":0.040041661431859776,"volume":699.2716835101493,"volume_molar":15.039687527072463,"formula_full":"Sr4 Yb8 S16","formula_reduced":"Sr(YbS2)2","formula_anonymous":"AB2C4","energy":-140.91719216,"energy_per_atom":-5.032756862857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-132.86919216,"band_gap":1.4628,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0034275,"is_theoretical":false,"updated_at":"2021-11-28T01:35:09.369000Z","spacegroup":62},{"id":"mp-770943","created_at":"2022-09-04T14:41:01.796574Z","structure_string":"Li4 Ti1 Ni5 P6 O24\n1.0\n8.389478 0.000000 0.000000\n3.897292 7.514147 0.000000\n3.896920 2.411321 7.138898\nLi Ti Ni P O\n4 1 5 6 24\ndirect\n0.252017 0.642311 0.850849 Li\n0.713274 0.349025 0.151028 Li\n0.354972 0.147360 0.710637 Li\n0.145942 0.710731 0.354262 Li\n0.147855 0.149693 0.152248 Ti\n0.990846 0.000385 0.999118 Ni\n0.641352 0.645223 0.642509 Ni\n0.507042 0.498027 0.497157 Ni\n0.857161 0.855534 0.853550 Ni\n0.355413 0.352569 0.352897 Ni\n0.946269 0.556426 0.257101 P\n0.559034 0.249209 0.950634 P\n0.252237 0.951390 0.555925 P\n0.753827 0.043309 0.454284 P\n0.445056 0.751457 0.041454 P\n0.052819 0.456812 0.754707 P\n0.529576 0.316838 0.103384 O\n0.321168 0.104001 0.524902 O\n0.099201 0.522948 0.329417 O\n0.941349 0.742696 0.091924 O\n0.009723 0.386072 0.186353 O\n0.752259 0.556751 0.406510 O\n0.751549 0.095630 0.926375 O\n0.539936 0.410238 0.764453 O\n0.834882 0.002835 0.599081 O\n0.397823 0.752298 0.562621 O\n0.903532 0.082540 0.244795 O\n0.604520 0.822681 0.982504 O\n0.388474 0.175737 0.015783 O\n0.101694 0.925632 0.752985 O\n0.596494 0.244108 0.437531 O\n0.181874 0.011062 0.387931 O\n0.437919 0.593570 0.239752 O\n0.239760 0.905336 0.085994 O\n0.249673 0.432804 0.593338 O\n0.041029 0.599462 0.824298 O\n0.081208 0.249302 0.906429 O\n0.883508 0.500505 0.704575 O\n0.690503 0.890713 0.479208 O\n0.447236 0.693782 0.894494 O\n","nsites":40,"nelements":5,"elements":["Li","Ti","Ni","P","O"],"chemical_system":"Li-Ni-O-P-Ti","density":3.4644535197765975,"density_atomic":0.08888207563898676,"volume":450.0344947216176,"volume_molar":6.775427685172645,"formula_full":"Li4 Ti1 Ni5 P6 O24","formula_reduced":"Li4TiNi5(PO4)6","formula_anonymous":"AB4C5D6E24","energy":-291.40905793,"energy_per_atom":-7.28522644825,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-262.21605793,"band_gap":2.1145,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.015000Z","spacegroup":1},{"id":"mp-8996","created_at":"2022-09-04T14:41:01.800614Z","structure_string":"Sc3 Ru1 C4\n1.0\n-1.666463 2.252017 6.214078\n1.666463 -2.252017 6.214078\n1.666463 2.252017 -6.214078\nSc Ru C\n3 1 4\ndirect\n0.810600 0.810600 0.000000 Sc\n0.189400 0.189400 0.000000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Ru\n0.787809 0.629134 0.158675 C\n0.212191 0.370866 0.841325 C\n0.529541 0.370866 0.158675 C\n0.470459 0.629134 0.841325 C\n","nsites":8,"nelements":3,"elements":["Sc","Ru","C"],"chemical_system":"C-Ru-Sc","density":5.0551452675722075,"density_atomic":0.0857602335790734,"volume":93.28332801966741,"volume_molar":7.022066648696114,"formula_full":"Sc3 Ru1 C4","formula_reduced":"Sc3RuC4","formula_anonymous":"AB3C4","energy":-68.92604631,"energy_per_atom":-8.61575578875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-68.92604631,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0103242,"is_theoretical":false,"updated_at":"2021-11-28T01:35:12.858000Z","spacegroup":71},{"id":"mp-1046341","created_at":"2022-09-04T14:41:01.822447Z","structure_string":"Sr4 Al2 Cu4 Sb2 O14\n1.0\n5.177472 0.000298 -1.193143\n-0.278888 5.195731 -1.207955\n0.200354 0.217832 12.682674\nSr Al Cu Sb O\n4 2 4 2 14\ndirect\n0.337744 0.363592 0.717353 Sr\n0.621840 0.639668 0.284041 Sr\n0.838452 0.855096 0.717318 Sr\n0.122167 0.148457 0.284058 Sr\n0.990017 0.999091 0.000683 Al\n0.485981 0.497578 0.000675 Al\n0.929503 0.442287 0.887814 Cu\n0.042503 0.556918 0.113121 Cu\n0.430321 0.941802 0.887652 Cu\n0.544822 0.057136 0.113950 Cu\n0.240408 0.748351 0.500716 Sb\n0.740158 0.254948 0.500692 Sb\n0.106770 0.384683 0.500743 O\n0.607050 0.618663 0.500614 O\n0.257479 0.268880 0.896681 O\n0.361230 0.729305 0.103594 O\n0.758386 0.123817 0.897762 O\n0.863794 0.876262 0.104682 O\n0.610216 0.622552 0.896837 O\n0.715425 0.377365 0.105601 O\n0.110434 0.769743 0.895723 O\n0.216216 0.229887 0.104557 O\n0.331209 0.831057 0.678130 O\n0.653272 0.171320 0.323236 O\n0.830090 0.348242 0.678091 O\n0.153778 0.654581 0.323456 O\n","nsites":26,"nelements":5,"elements":["Sr","Al","Cu","Sb","O"],"chemical_system":"Al-Cu-O-Sb-Sr","density":5.438388924915808,"density_atomic":0.07561407413531258,"volume":343.8513305535235,"volume_molar":7.964311973486951,"formula_full":"Sr4 Al2 Cu4 Sb2 O14","formula_reduced":"Sr2AlCu2SbO7","formula_anonymous":"ABC2D2E7","energy":-165.98804511,"energy_per_atom":-6.384155581153847,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-156.37004511,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.000274,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.976000Z","spacegroup":5},{"id":"mp-1080330","created_at":"2022-09-04T14:41:02.494247Z","structure_string":"Ce2 Se4\n1.0\n2.658816 -4.605204 0.000000\n2.658816 4.605204 0.000000\n0.000000 0.000000 5.772452\nCe Se\n2 4\ndirect\n0.333333 0.666667 0.250000 Ce\n0.666667 0.333333 0.750000 Ce\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n0.333333 0.666667 0.750000 Se\n0.666667 0.333333 0.250000 Se\n","nsites":6,"nelements":2,"elements":["Ce","Se"],"chemical_system":"Ce-Se","density":7.001971462494766,"density_atomic":0.04244472925339742,"volume":141.36030799441934,"volume_molar":14.188194543655777,"formula_full":"Ce2 Se4","formula_reduced":"CeSe2","formula_anonymous":"AB2","energy":-36.61321739,"energy_per_atom":-6.102202898333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-34.72521739,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.055606,"is_theoretical":true,"updated_at":"2021-11-28T01:35:23.975000Z","spacegroup":194},{"id":"mp-1045006","created_at":"2022-09-04T14:41:01.754515Z","structure_string":"Ba4 Ti4 Cu2 F28\n1.0\n2.690407 7.203300 0.000000\n-2.690407 7.203300 0.000000\n0.000000 0.317567 15.309852\nBa Ti Cu F\n4 4 2 28\ndirect\n0.105872 0.249217 0.876497 Ba\n0.249217 0.105872 0.376497 Ba\n0.894128 0.750783 0.123503 Ba\n0.750783 0.894128 0.623503 Ba\n0.100773 0.142492 0.628724 Ti\n0.899227 0.857508 0.371276 Ti\n0.142492 0.100773 0.128724 Ti\n0.857508 0.899227 0.871276 Ti\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.940985 0.059437 0.151391 F\n0.887239 0.397528 0.050687 F\n0.112761 0.602472 0.949313 F\n0.643027 0.864783 0.911630 F\n0.625626 0.498546 0.896689 F\n0.501454 0.374374 0.603311 F\n0.397528 0.887239 0.550687 F\n0.940563 0.059015 0.348609 F\n0.357143 0.990622 0.716575 F\n0.356973 0.135217 0.088370 F\n0.846323 0.405287 0.706223 F\n0.135217 0.356973 0.588370 F\n0.405287 0.846323 0.206223 F\n0.153677 0.594713 0.293777 F\n0.498546 0.625626 0.396689 F\n0.642857 0.009378 0.283425 F\n0.119241 0.709297 0.475771 F\n0.059015 0.940563 0.848609 F\n0.880759 0.290703 0.524229 F\n0.709297 0.119241 0.975771 F\n0.602472 0.112761 0.449313 F\n0.594713 0.153677 0.793777 F\n0.990622 0.357143 0.216575 F\n0.290703 0.880759 0.024229 F\n0.374374 0.501454 0.103311 F\n0.059437 0.940985 0.651391 F\n0.009378 0.642857 0.783425 F\n0.864783 0.643027 0.411630 F\n","nsites":38,"nelements":4,"elements":["Ba","Ti","Cu","F"],"chemical_system":"Ba-Cu-F-Ti","density":3.9171647480635214,"density_atomic":0.06403731611709153,"volume":593.404007290334,"volume_molar":9.404111735395942,"formula_full":"Ba4 Ti4 Cu2 F28","formula_reduced":"Ba2Ti2CuF14","formula_anonymous":"AB2C2D14","energy":-237.35004330000004,"energy_per_atom":-6.246053771052632,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-224.4140433,"band_gap":0.7757000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0038156,"is_theoretical":true,"updated_at":"2021-11-28T01:35:25.205000Z","spacegroup":15},{"id":"mp-768503","created_at":"2022-09-04T14:41:01.756831Z","structure_string":"Lu4 P12 O36\n1.0\n9.709853 0.000000 0.000000\n0.000000 6.981707 0.000000\n0.000000 0.334145 10.909197\nLu P O\n4 12 36\ndirect\n0.250000 0.810145 0.018986 Lu\n0.250000 0.673048 0.537336 Lu\n0.750000 0.326952 0.462664 Lu\n0.750000 0.189855 0.981014 Lu\n0.464033 0.825165 0.284162 P\n0.035967 0.825165 0.284162 P\n0.750000 0.814560 0.374922 P\n0.487817 0.765739 0.767843 P\n0.012183 0.765739 0.767843 P\n0.750000 0.677911 0.898122 P\n0.250000 0.322089 0.101878 P\n0.987817 0.234261 0.232157 P\n0.512183 0.234261 0.232157 P\n0.250000 0.185440 0.625078 P\n0.964033 0.174835 0.715838 P\n0.535967 0.174835 0.715838 P\n0.250000 0.987761 0.574583 O\n0.948416 0.948624 0.693839 O\n0.551584 0.948624 0.693839 O\n0.750000 0.876865 0.946467 O\n0.087433 0.826976 0.880323 O\n0.412567 0.826976 0.880323 O\n0.872805 0.794531 0.276685 O\n0.627195 0.794531 0.276685 O\n0.092406 0.779394 0.161005 O\n0.407594 0.779394 0.161005 O\n0.405710 0.726333 0.396404 O\n0.094290 0.726333 0.396404 O\n0.875909 0.649382 0.803826 O\n0.624091 0.649382 0.803826 O\n0.411093 0.648923 0.677391 O\n0.088907 0.648923 0.677391 O\n0.750000 0.643884 0.462296 O\n0.750000 0.507458 0.985044 O\n0.250000 0.492542 0.014956 O\n0.250000 0.356116 0.537704 O\n0.911093 0.351077 0.322609 O\n0.588907 0.351077 0.322609 O\n0.375909 0.350618 0.196174 O\n0.124091 0.350618 0.196174 O\n0.905710 0.273667 0.603596 O\n0.594290 0.273667 0.603596 O\n0.907594 0.220606 0.838995 O\n0.592406 0.220606 0.838995 O\n0.372805 0.205469 0.723315 O\n0.127195 0.205469 0.723315 O\n0.912567 0.173024 0.119677 O\n0.587433 0.173024 0.119677 O\n0.250000 0.123135 0.053533 O\n0.448416 0.051376 0.306161 O\n0.051584 0.051376 0.306161 O\n0.750000 0.012239 0.425417 O\n","nsites":52,"nelements":3,"elements":["Lu","P","O"],"chemical_system":"Lu-O-P","density":3.6992678456099526,"density_atomic":0.07031310640028592,"volume":739.5491774174915,"volume_molar":8.564748548750668,"formula_full":"Lu4 P12 O36","formula_reduced":"Lu(PO3)3","formula_anonymous":"AB3C9","energy":-418.90566773,"energy_per_atom":-8.055878225576922,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-394.17366773,"band_gap":5.741099999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":4.97e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.800000Z","spacegroup":11},{"id":"mp-757642","created_at":"2022-09-04T14:41:01.762664Z","structure_string":"Li12 Mn12 P12 O48\n1.0\n7.728622 0.000000 0.000000\n0.000000 8.493637 0.000000\n0.000000 8.329159 15.038593\nLi Mn P O\n12 12 12 48\ndirect\n0.769837 0.849799 0.593595 Li\n0.724155 0.180305 0.232325 Li\n0.776864 0.464539 0.922476 Li\n0.276864 0.535461 0.577524 Li\n0.224155 0.819695 0.267675 Li\n0.269837 0.150201 0.906405 Li\n0.730163 0.849799 0.093595 Li\n0.775845 0.180305 0.732325 Li\n0.723136 0.464539 0.422476 Li\n0.223136 0.535461 0.077524 Li\n0.275845 0.819695 0.767675 Li\n0.230163 0.150201 0.406405 Li\n0.474021 0.201639 0.066673 Mn\n0.524283 0.850141 0.408517 Mn\n0.431034 0.509912 0.752008 Mn\n0.931034 0.490088 0.747992 Mn\n0.024283 0.149859 0.091483 Mn\n0.974021 0.798361 0.433327 Mn\n0.025979 0.201639 0.566673 Mn\n0.975717 0.850141 0.908517 Mn\n0.068966 0.509912 0.252008 Mn\n0.568966 0.490088 0.247992 Mn\n0.475717 0.149859 0.591483 Mn\n0.525979 0.798361 0.933327 Mn\n0.178018 0.856241 0.590809 P\n0.320544 0.188703 0.231038 P\n0.177429 0.473863 0.924310 P\n0.677429 0.526137 0.575690 P\n0.820544 0.811297 0.268962 P\n0.678018 0.143759 0.909191 P\n0.321982 0.856241 0.090809 P\n0.179456 0.188703 0.731038 P\n0.322571 0.473863 0.424310 P\n0.822571 0.526137 0.075690 P\n0.679456 0.811297 0.768962 P\n0.821982 0.143759 0.409191 P\n0.995786 0.085266 0.385377 O\n0.859950 0.321758 0.124659 O\n0.713052 0.970149 0.465074 O\n0.776235 0.634333 0.790505 O\n0.293559 0.419069 0.007993 O\n0.494943 0.248018 0.178440 O\n0.358164 0.075945 0.331930 O\n0.271951 0.729218 0.679626 O\n0.006796 0.363776 0.954992 O\n0.143424 0.752937 0.538490 O\n0.268960 0.416865 0.860734 O\n0.216286 0.080307 0.195669 O\n0.768960 0.583135 0.639266 O\n0.716286 0.919693 0.304331 O\n0.643424 0.247063 0.961510 O\n0.506796 0.636224 0.545008 O\n0.771951 0.270782 0.820374 O\n0.858164 0.924055 0.168070 O\n0.994943 0.751982 0.321560 O\n0.276235 0.365667 0.709495 O\n0.793559 0.580931 0.492007 O\n0.213052 0.029851 0.034926 O\n0.359950 0.678242 0.375341 O\n0.495786 0.914734 0.114623 O\n0.504214 0.085266 0.885377 O\n0.640050 0.321758 0.624659 O\n0.786948 0.970149 0.965074 O\n0.206441 0.419069 0.507993 O\n0.723765 0.634333 0.290505 O\n0.005057 0.248018 0.678440 O\n0.141836 0.075945 0.831930 O\n0.228049 0.729218 0.179626 O\n0.493204 0.363776 0.454992 O\n0.356576 0.752937 0.038490 O\n0.283714 0.080307 0.695669 O\n0.231040 0.416865 0.360734 O\n0.783714 0.919693 0.804331 O\n0.731040 0.583135 0.139266 O\n0.856576 0.247063 0.461510 O\n0.993204 0.636224 0.045008 O\n0.728049 0.270782 0.320374 O\n0.641836 0.924055 0.668070 O\n0.505057 0.751982 0.821560 O\n0.706441 0.580931 0.992007 O\n0.223765 0.365667 0.209495 O\n0.286948 0.029851 0.534926 O\n0.140050 0.678242 0.875341 O\n0.004214 0.914734 0.614623 O\n","nsites":84,"nelements":4,"elements":["Li","Mn","P","O"],"chemical_system":"Li-Mn-O-P","density":3.16601541089025,"density_atomic":0.08508956767647681,"volume":987.1950498018805,"volume_molar":7.077413747002541,"formula_full":"Li12 Mn12 P12 O48","formula_reduced":"LiMnPO4","formula_anonymous":"ABCD4","energy":-652.0761105299999,"energy_per_atom":-7.762810839642857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-599.08411053,"band_gap":2.9955,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":60.1704179,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.521000Z","spacegroup":14},{"id":"mp-1087550","created_at":"2022-09-04T14:41:01.769203Z","structure_string":"Ce12 Se24\n1.0\n11.608282 11.929446 0.000000\n-11.608282 11.929446 0.000000\n0.000000 2.712599 12.340876\nCe Se\n12 24\ndirect\n0.009345 0.785258 0.955949 Ce\n0.785258 0.009345 0.955949 Ce\n0.990655 0.214742 0.044051 Ce\n0.214742 0.990655 0.044051 Ce\n0.878467 0.654491 0.350036 Ce\n0.654491 0.878467 0.350036 Ce\n0.121533 0.345509 0.649964 Ce\n0.345509 0.121533 0.649964 Ce\n0.106691 0.667844 0.587655 Ce\n0.667844 0.106691 0.587655 Ce\n0.893309 0.332156 0.412345 Ce\n0.332156 0.893309 0.412345 Ce\n0.141261 0.858739 0.000000 Se\n0.858739 0.141261 0.000000 Se\n0.900604 0.900604 0.893921 Se\n0.099396 0.099396 0.106079 Se\n0.939388 0.686703 0.136072 Se\n0.686703 0.939388 0.136072 Se\n0.060612 0.313297 0.863928 Se\n0.313297 0.060612 0.863928 Se\n0.055501 0.696209 0.793406 Se\n0.696209 0.055501 0.793406 Se\n0.944499 0.303791 0.206594 Se\n0.303791 0.944499 0.206594 Se\n0.735038 0.735038 0.387345 Se\n0.264962 0.264962 0.612655 Se\n0.854465 0.491973 0.409699 Se\n0.491973 0.854465 0.409699 Se\n0.145535 0.508027 0.590301 Se\n0.508027 0.145535 0.590301 Se\n0.985350 0.705585 0.467361 Se\n0.705585 0.985350 0.467361 Se\n0.014650 0.294415 0.532639 Se\n0.294415 0.014650 0.532639 Se\n0.238689 0.761311 0.500000 Se\n0.761311 0.238689 0.500000 Se\n","nsites":36,"nelements":2,"elements":["Ce","Se"],"chemical_system":"Ce-Se","density":1.7375401939623716,"density_atomic":0.010532665477809866,"volume":3417.9382299613053,"volume_molar":57.17584758281175,"formula_full":"Ce12 Se24","formula_reduced":"CeSe2","formula_anonymous":"AB2","energy":-205.25108073,"energy_per_atom":-5.701418909166667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-193.92308073,"band_gap":1.0122,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0220873,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.584000Z","spacegroup":12},{"id":"mp-1179777","created_at":"2022-09-04T14:41:01.769963Z","structure_string":"Sr12 Nb8 Co4 O36\n1.0\n5.677295 0.000000 0.000000\n0.000000 13.241607 2.349950\n0.000000 3.481838 15.566440\nSr Nb Co O\n12 8 4 36\ndirect\n0.982223 0.062151 0.269093 Sr\n0.480332 0.103119 0.561775 Sr\n0.002605 0.260423 0.405365 Sr\n0.482223 0.437849 0.230907 Sr\n0.017777 0.937849 0.730907 Sr\n0.502605 0.239577 0.094635 Sr\n0.019668 0.603119 0.061775 Sr\n0.519668 0.896881 0.438225 Sr\n0.497395 0.760423 0.905365 Sr\n0.980332 0.396881 0.938225 Sr\n0.997395 0.739577 0.594635 Sr\n0.517777 0.562151 0.769093 Sr\n0.526856 0.676565 0.329909 Nb\n0.026856 0.823435 0.170091 Nb\n0.973144 0.176565 0.829909 Nb\n0.007773 0.663284 0.835478 Nb\n0.507773 0.836716 0.664522 Nb\n0.992227 0.336716 0.164522 Nb\n0.473144 0.323435 0.670091 Nb\n0.492227 0.163284 0.335478 Nb\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.308949 0.925244 0.562249 O\n0.969736 0.557592 0.773546 O\n0.718855 0.262336 0.757709 O\n0.448751 0.277062 0.385232 O\n0.806389 0.238218 0.276288 O\n0.551249 0.722938 0.614768 O\n0.691051 0.074756 0.437751 O\n0.802934 0.903561 0.606627 O\n0.514461 0.292521 0.570453 O\n0.697066 0.403561 0.106627 O\n0.451871 0.473149 0.630096 O\n0.781145 0.762336 0.257709 O\n0.014461 0.207479 0.929547 O\n0.470224 0.602973 0.059099 O\n0.218855 0.237664 0.742291 O\n0.548129 0.526851 0.369904 O\n0.281145 0.737664 0.242291 O\n0.197066 0.096439 0.393373 O\n0.051249 0.777062 0.885232 O\n0.030264 0.442408 0.226454 O\n0.808949 0.574756 0.937751 O\n0.693611 0.738218 0.776288 O\n0.302934 0.596439 0.893373 O\n0.951871 0.026851 0.869904 O\n0.306389 0.261782 0.223712 O\n0.530264 0.057592 0.273546 O\n0.048129 0.973149 0.130096 O\n0.029776 0.102973 0.559099 O\n0.970224 0.897027 0.440901 O\n0.191051 0.425244 0.062249 O\n0.948751 0.222938 0.114768 O\n0.529776 0.397027 0.940901 O\n0.485539 0.707479 0.429547 O\n0.193611 0.761782 0.723712 O\n0.985539 0.792521 0.070453 O\n0.469736 0.942408 0.726454 O\n","nsites":60,"nelements":4,"elements":["Sr","Nb","Co","O"],"chemical_system":"Co-Nb-O-Sr","density":3.8513230038125017,"density_atomic":0.05339132019892152,"volume":1123.7781679954035,"volume_molar":11.279250517805412,"formula_full":"Sr12 Nb8 Co4 O36","formula_reduced":"Sr3Nb2CoO9","formula_anonymous":"AB2C3D9","energy":-473.7480307,"energy_per_atom":-7.895800511666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-442.4640307,"band_gap":0.4104000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.329000Z","spacegroup":14}]}