{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=10146","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=decomposes_to&page=10144","results":[{"id":"mp-30785","created_at":"2022-09-04T14:47:43.031784Z","structure_string":"Mn3 Pt1\n1.0\n3.889221 0.000000 0.000000\n0.000000 3.889221 0.000000\n0.000000 0.000000 3.889221\nMn Pt\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Pt\n","nsites":4,"nelements":2,"elements":["Mn","Pt"],"chemical_system":"Mn-Pt","density":10.158762973124789,"density_atomic":0.06799424019552111,"volume":58.828512363661744,"volume_molar":8.856839553884283,"formula_full":"Mn3 Pt1","formula_reduced":"Mn3Pt","formula_anonymous":"AB3","energy":-33.30109293,"energy_per_atom":-8.3252732325,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-33.30109293,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":10.7928328,"is_theoretical":false,"updated_at":"2021-11-28T01:38:20.563000Z","spacegroup":221},{"id":"mp-1093912","created_at":"2022-09-04T14:47:43.942060Z","structure_string":"Ca1 Hg2 Bi1\n1.0\n-5.832317 6.324067 8.886011\n5.832317 -6.324067 8.886011\n5.832317 6.324067 -8.886011\nCa Hg Bi\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.254806 0.254806 Hg\n0.000000 0.745194 0.745194 Hg\n0.000000 0.500000 0.500000 Bi\n","nsites":4,"nelements":3,"elements":["Ca","Hg","Bi"],"chemical_system":"Bi-Ca-Hg","density":0.8236018048195557,"density_atomic":0.003051093876047571,"volume":1311.0052205871998,"volume_molar":197.37644938677414,"formula_full":"Ca1 Hg2 Bi1","formula_reduced":"CaHg2Bi","formula_anonymous":"ABC2","energy":-3.32733968,"energy_per_atom":-0.83183492,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-3.32733968,"band_gap":0.2208000000000001,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.9999592,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.993000Z","spacegroup":71},{"id":"mp-1203555","created_at":"2022-09-04T14:47:42.622418Z","structure_string":"Li4 B4 H28 N4\n1.0\n4.511362 0.000000 0.000000\n0.000000 5.998430 0.000000\n0.000000 0.000000 14.705552\nLi B H N\n4 4 28 4\ndirect\n0.750000 0.879828 0.427179 Li\n0.750000 0.379828 0.072821 Li\n0.250000 0.120172 0.572821 Li\n0.250000 0.620172 0.927179 Li\n0.750000 0.919341 0.597447 B\n0.750000 0.419341 0.902553 B\n0.250000 0.080659 0.402553 B\n0.250000 0.580659 0.097447 B\n0.750000 0.605671 0.288092 H\n0.750000 0.105671 0.211908 H\n0.250000 0.394329 0.711908 H\n0.250000 0.894329 0.788092 H\n0.570706 0.480401 0.369891 H\n0.929294 0.980401 0.130109 H\n0.070706 0.519599 0.630109 H\n0.429294 0.019599 0.869891 H\n0.429294 0.519599 0.630109 H\n0.070706 0.019599 0.869891 H\n0.929294 0.480401 0.369891 H\n0.570706 0.980401 0.130109 H\n0.750000 0.743331 0.554422 H\n0.750000 0.243331 0.945578 H\n0.250000 0.256669 0.445578 H\n0.250000 0.756669 0.054422 H\n0.750000 0.080121 0.545076 H\n0.750000 0.580121 0.954924 H\n0.250000 0.919879 0.454924 H\n0.250000 0.419879 0.045076 H\n0.530545 0.926854 0.646446 H\n0.969455 0.426854 0.853554 H\n0.030545 0.073146 0.353554 H\n0.469455 0.573146 0.146446 H\n0.469455 0.073146 0.353554 H\n0.030545 0.573146 0.146446 H\n0.969455 0.926854 0.646446 H\n0.530545 0.426854 0.853554 H\n0.750000 0.580065 0.357051 N\n0.750000 0.080065 0.142949 N\n0.250000 0.419935 0.642949 N\n0.250000 0.919935 0.857051 N\n","nsites":40,"nelements":4,"elements":["Li","B","H","N"],"chemical_system":"B-H-Li-N","density":0.6478493387967963,"density_atomic":0.1005155811432156,"volume":397.94825384342755,"volume_molar":5.99125099960333,"formula_full":"Li4 B4 H28 N4","formula_reduced":"LiBH7N","formula_anonymous":"ABCD7","energy":-178.47911356999998,"energy_per_atom":-4.461977839249999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-177.03511357,"band_gap":5.643,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0009719,"is_theoretical":false,"updated_at":"2021-11-28T01:38:18.552000Z","spacegroup":62},{"id":"mp-1222760","created_at":"2022-09-04T14:47:42.926147Z","structure_string":"La1 Si1 Ag1\n1.0\n0.000000 0.000000 -4.226064\n-2.211693 -3.830721 0.000000\n-2.212543 3.831211 0.000000\nLa Si Ag\n1 1 1\ndirect\n0.000000 0.999986 0.000002 La\n0.500000 0.666596 0.333290 Si\n0.500000 0.333319 0.666709 Ag\n","nsites":3,"nelements":3,"elements":["La","Si","Ag"],"chemical_system":"Ag-La-Si","density":6.3720134059907325,"density_atomic":0.04188307961718449,"volume":71.62797070846504,"volume_molar":14.378457398651115,"formula_full":"La1 Si1 Ag1","formula_reduced":"LaSiAg","formula_anonymous":"ABC","energy":-14.678171589999998,"energy_per_atom":-4.892723863333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-14.74917159,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0679214,"is_theoretical":true,"updated_at":"2021-11-28T01:38:13.763000Z","spacegroup":187},{"id":"mp-1245086","created_at":"2022-09-04T14:47:42.959698Z","structure_string":"Ti39 O65\n1.0\n10.960920 0.054574 -0.188351\n0.052162 10.585673 0.069408\n-0.185724 0.070308 11.003096\nTi O\n39 65\ndirect\n0.532758 0.542047 0.250098 Ti\n0.632179 0.861581 0.589925 Ti\n0.462715 0.055808 0.121150 Ti\n0.546384 0.589653 0.657209 Ti\n0.080139 0.687711 0.136568 Ti\n0.195324 0.153423 0.980951 Ti\n0.721096 0.299310 0.133310 Ti\n0.740902 0.181429 0.682643 Ti\n0.588019 0.908939 0.842024 Ti\n0.348785 0.564310 0.794940 Ti\n0.892002 0.563211 0.274552 Ti\n0.155144 0.324672 0.505912 Ti\n0.628778 0.478773 0.949057 Ti\n0.069397 0.944454 0.916692 Ti\n0.676383 0.820840 0.202152 Ti\n0.876455 0.503745 0.623896 Ti\n0.405378 0.044650 0.410584 Ti\n0.337785 0.849357 0.755131 Ti\n0.617698 0.290446 0.448800 Ti\n0.119627 0.628285 0.617819 Ti\n0.882282 0.860492 0.646410 Ti\n0.716479 0.621899 0.461482 Ti\n0.902070 0.906514 0.184159 Ti\n0.246315 0.098692 0.686663 Ti\n0.692950 0.054397 0.354237 Ti\n0.843456 0.711273 0.871627 Ti\n0.985461 0.240557 0.800477 Ti\n0.151464 0.511539 0.932997 Ti\n0.529152 0.156973 0.911340 Ti\n0.366374 0.702789 0.472121 Ti\n0.030202 0.144847 0.271299 Ti\n0.436420 0.302628 0.707340 Ti\n0.381941 0.739805 0.059456 Ti\n0.243444 0.501908 0.233105 Ti\n0.166439 0.910201 0.477418 Ti\n0.205298 0.990207 0.163174 Ti\n0.936679 0.112547 0.553997 Ti\n0.884986 0.474315 0.975963 Ti\n0.364200 0.380046 0.010367 Ti\n0.844374 0.032205 0.689209 O\n0.218830 0.013302 0.856200 O\n0.966109 0.679529 0.624387 O\n0.281851 0.397831 0.847623 O\n0.356150 0.867950 0.414558 O\n0.793681 0.915897 0.313299 O\n0.720465 0.806994 0.763544 O\n0.583408 0.990241 0.477975 O\n0.264755 0.070436 0.501149 O\n0.405167 0.444238 0.174402 O\n0.384960 0.587009 0.352620 O\n0.012923 0.110984 0.919773 O\n0.864571 0.432776 0.157786 O\n0.490384 0.904716 0.695906 O\n0.748088 0.607269 0.981488 O\n0.342122 0.908508 0.094770 O\n0.133598 0.164952 0.142727 O\n0.284183 0.272944 0.616462 O\n0.217777 0.389432 0.375175 O\n0.890611 0.102873 0.194739 O\n0.078097 0.458668 0.589175 O\n0.514330 0.342296 0.877984 O\n0.872412 0.519605 0.438973 O\n0.418673 0.473534 0.645564 O\n0.399900 0.138944 0.777004 O\n0.761009 0.164146 0.503192 O\n0.362520 0.696271 0.658728 O\n0.695077 0.229594 0.294811 O\n0.535984 0.983031 0.983829 O\n0.069616 0.544817 0.250869 O\n0.344222 0.074756 0.255758 O\n0.021523 0.382262 0.898064 O\n0.202390 0.407802 0.080127 O\n0.944977 0.737258 0.236729 O\n0.619012 0.446126 0.124515 O\n0.369542 0.194730 0.020509 O\n0.700894 0.523105 0.621920 O\n0.070262 0.878546 0.081543 O\n0.609149 0.462115 0.391300 O\n0.480537 0.210155 0.414942 O\n0.964411 0.839128 0.823729 O\n0.777505 0.862667 0.070549 O\n0.174189 0.624943 0.783782 O\n0.428372 0.797971 0.898088 O\n0.550565 0.711332 0.514340 O\n0.871071 0.558537 0.797993 O\n0.072041 0.169983 0.665997 O\n0.777806 0.775944 0.523570 O\n0.756687 0.347750 0.954231 O\n0.004493 0.621757 0.995460 O\n0.251896 0.687752 0.171522 O\n0.523091 0.707885 0.151840 O\n0.719093 0.654474 0.278647 O\n0.648910 0.084037 0.806394 O\n0.026476 0.221234 0.429322 O\n0.599860 0.187826 0.076023 O\n0.863003 0.318769 0.681507 O\n0.206375 0.912107 0.651739 O\n0.996107 0.941935 0.527480 O\n0.329400 0.586307 0.972287 O\n0.586245 0.275013 0.629796 O\n0.576927 0.974684 0.236625 O\n0.182248 0.721447 0.484067 O\n0.537683 0.586205 0.828765 O\n0.094515 0.981690 0.309067 O\n","nsites":104,"nelements":2,"elements":["Ti","O"],"chemical_system":"O-Ti","density":3.782119967045097,"density_atomic":0.08149074256701114,"volume":1276.2185829203745,"volume_molar":7.389969179686758,"formula_full":"Ti39 O65","formula_reduced":"Ti3O5","formula_anonymous":"A3B5","energy":-960.87894708,"energy_per_atom":-9.239220645,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-916.22394708,"band_gap":0.0182999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0,"is_theoretical":true,"updated_at":"2021-11-28T01:38:20.712000Z","spacegroup":1},{"id":"mp-19813","created_at":"2022-09-04T14:47:43.151189Z","structure_string":"Ba2 Gd1 Cu3 O7\n1.0\n3.866027 0.000000 0.000000\n0.000000 3.930015 0.000000\n0.000000 0.000000 11.838020\nBa Gd Cu O\n2 1 3 7\ndirect\n0.500000 0.500000 0.180667 Ba\n0.500000 0.500000 0.819333 Ba\n0.500000 0.500000 0.500000 Gd\n0.000000 0.000000 0.648414 Cu\n0.000000 0.000000 0.351586 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.841048 O\n0.000000 0.000000 0.158952 O\n0.000000 0.500000 0.623477 O\n0.000000 0.500000 0.376523 O\n0.500000 0.000000 0.624063 O\n0.500000 0.000000 0.375937 O\n0.000000 0.500000 0.000000 O\n","nsites":13,"nelements":4,"elements":["Ba","Gd","Cu","O"],"chemical_system":"Ba-Cu-Gd-O","density":6.781489399734723,"density_atomic":0.07227784446803497,"volume":179.8614789314764,"volume_molar":8.331931872516348,"formula_full":"Ba2 Gd1 Cu3 O7","formula_reduced":"Ba2GdCu3O7","formula_anonymous":"AB2C3D7","energy":-93.06201217,"energy_per_atom":-7.158616320769231,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.25301217,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9263247,"is_theoretical":false,"updated_at":"2021-11-28T01:38:17.234000Z","spacegroup":47},{"id":"mp-1078209","created_at":"2022-09-04T14:47:43.216077Z","structure_string":"Li2 La4 Fe2 O12\n1.0\n2.771421 1.599494 4.394745\n-5.537960 -3.198709 4.391605\n2.769263 -4.797282 0.000907\nLi La Fe O\n2 4 2 12\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.499101 0.749677 0.000007 La\n0.999101 0.249677 0.500006 La\n0.500897 0.250323 0.999993 La\n0.000899 0.750323 0.499994 La\n0.500001 0.500001 0.500000 Fe\n0.000001 0.000002 0.000000 Fe\n0.771204 0.472236 0.706199 O\n0.271218 0.972233 0.206197 O\n0.004400 0.238869 0.059995 O\n0.504396 0.738866 0.559992 O\n0.710626 0.532118 0.233205 O\n0.210627 0.032119 0.733196 O\n0.228795 0.527766 0.293802 O\n0.728782 0.027766 0.793802 O\n0.995601 0.761128 0.940004 O\n0.495604 0.261134 0.440008 O\n0.289374 0.467884 0.766794 O\n0.789372 0.967880 0.266804 O\n","nsites":20,"nelements":4,"elements":["Li","La","Fe","O"],"chemical_system":"Fe-La-Li-O","density":6.209023832144279,"density_atomic":0.08564403550518934,"volume":233.5247268770767,"volume_molar":7.031593880971555,"formula_full":"Li2 La4 Fe2 O12","formula_reduced":"LiLa2FeO6","formula_anonymous":"ABC2D6","energy":-155.11594381,"energy_per_atom":-7.7557971905,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-142.35994381,"band_gap":0.7546999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2e-07,"is_theoretical":false,"updated_at":"2021-11-28T01:38:21.706000Z","spacegroup":148},{"id":"mp-722485","created_at":"2022-09-04T14:47:43.265847Z","structure_string":"Sr2 P4 H12 O18\n1.0\n6.735566 0.000000 0.000000\n-0.761995 7.338794 0.000000\n-2.967035 -2.125854 7.867501\nSr P H O\n2 4 12 18\ndirect\n0.398625 0.748737 0.308879 Sr\n0.601375 0.251263 0.691121 Sr\n0.761830 0.801297 0.761410 P\n0.238170 0.198703 0.238590 P\n0.157327 0.094636 0.872428 P\n0.842673 0.905364 0.127572 P\n0.277935 0.476408 0.744269 H\n0.722065 0.523592 0.255731 H\n0.249292 0.513504 0.567514 H\n0.750708 0.486496 0.432486 H\n0.183789 0.677747 0.919412 H\n0.816211 0.322253 0.080588 H\n0.167100 0.468294 0.937204 H\n0.832900 0.531706 0.062796 H\n0.975155 0.288567 0.536330 H\n0.024845 0.711433 0.463670 H\n0.226032 0.857732 0.609452 H\n0.773968 0.142268 0.390548 H\n0.979968 0.119402 0.175283 O\n0.020032 0.880598 0.824717 O\n0.294838 0.117001 0.072274 O\n0.705162 0.882999 0.927726 O\n0.262561 0.408302 0.276496 O\n0.737439 0.591698 0.723504 O\n0.358066 0.105208 0.370800 O\n0.641934 0.894792 0.629200 O\n0.990221 0.764621 0.143951 O\n0.009779 0.235379 0.856049 O\n0.691943 0.917945 0.220325 O\n0.308057 0.082055 0.779675 O\n0.260695 0.412018 0.627057 O\n0.739305 0.587982 0.372943 O\n0.270319 0.588178 0.964000 O\n0.729681 0.411822 0.036000 O\n0.184265 0.744568 0.512417 O\n0.815735 0.255432 0.487583 O\n","nsites":36,"nelements":4,"elements":["Sr","P","H","O"],"chemical_system":"H-O-P-Sr","density":2.5585826796472655,"density_atomic":0.09256928317885321,"volume":388.8979018066324,"volume_molar":6.505549738744996,"formula_full":"Sr2 P4 H12 O18","formula_reduced":"SrP2(H2O3)3","formula_anonymous":"AB2C6D9","energy":-231.13396081,"energy_per_atom":-6.420387800277777,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-218.76796081,"band_gap":5.3385,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0012337,"is_theoretical":false,"updated_at":"2021-11-28T01:38:20.133000Z","spacegroup":2},{"id":"mp-1225790","created_at":"2022-09-04T14:47:43.339308Z","structure_string":"Cu1 Ni3 O4\n1.0\n9.822144 -1.493595 0.000000\n9.822144 1.493595 0.000000\n9.595022 0.000000 2.576994\nCu Ni O\n1 3 4\ndirect\n0.000000 0.000000 0.000000 Cu\n0.250062 0.250062 0.250062 Ni\n0.500000 0.500000 0.500000 Ni\n0.749938 0.749938 0.749938 Ni\n0.125053 0.125053 0.125053 O\n0.376430 0.376430 0.376430 O\n0.623570 0.623570 0.623570 O\n0.874947 0.874947 0.874947 O\n","nsites":8,"nelements":3,"elements":["Cu","Ni","O"],"chemical_system":"Cu-Ni-O","density":6.668103893005709,"density_atomic":0.10580530316756857,"volume":75.61057679056071,"volume_molar":5.69171920471932,"formula_full":"Cu1 Ni3 O4","formula_reduced":"CuNi3O4","formula_anonymous":"AB3C4","energy":-49.66478178999999,"energy_per_atom":-6.208097723749999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.29378179,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.9824459,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.872000Z","spacegroup":166},{"id":"mp-758643","created_at":"2022-09-04T14:47:43.360837Z","structure_string":"V4 C8 O24\n1.0\n7.134126 0.000000 0.000000\n0.000000 7.605943 0.000000\n0.000000 0.000000 9.237958\nV C O\n4 8 24\ndirect\n0.736668 0.144524 0.370591 V\n0.236668 0.355476 0.870591 V\n0.763332 0.644524 0.370591 V\n0.263332 0.855476 0.870591 V\n0.075015 0.219468 0.594867 C\n0.921325 0.246371 0.098824 C\n0.421325 0.253629 0.598824 C\n0.575015 0.280532 0.094867 C\n0.424985 0.719468 0.594867 C\n0.578675 0.746371 0.098824 C\n0.078675 0.753629 0.598824 C\n0.924985 0.780532 0.094867 C\n0.286867 0.074433 0.868317 O\n0.952324 0.154279 0.516206 O\n0.925802 0.155138 0.213239 O\n0.549549 0.205589 0.215827 O\n0.565371 0.207272 0.532927 O\n0.255580 0.196222 0.536629 O\n0.755580 0.303778 0.036629 O\n0.065371 0.292728 0.032927 O\n0.049549 0.294411 0.715827 O\n0.425802 0.344862 0.713239 O\n0.452324 0.345721 0.016206 O\n0.786867 0.425567 0.368317 O\n0.213133 0.574433 0.868317 O\n0.547676 0.654279 0.516206 O\n0.574198 0.655138 0.213239 O\n0.950451 0.705589 0.215827 O\n0.934629 0.707272 0.532927 O\n0.244420 0.696222 0.536629 O\n0.744420 0.803778 0.036629 O\n0.434629 0.792728 0.032927 O\n0.450451 0.794411 0.715827 O\n0.074198 0.844862 0.713239 O\n0.047676 0.845721 0.016206 O\n0.713133 0.925567 0.368317 O\n","nsites":36,"nelements":3,"elements":["V","C","O"],"chemical_system":"C-O-V","density":2.265332702185101,"density_atomic":0.07181789563336917,"volume":501.2678202627969,"volume_molar":8.385292700224843,"formula_full":"V4 C8 O24","formula_reduced":"V(CO3)2","formula_anonymous":"AB2C6","energy":-298.02881223,"energy_per_atom":-8.2785781175,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-274.74081223,"band_gap":1.5352,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0135452,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.886000Z","spacegroup":33},{"id":"mp-556225","created_at":"2022-09-04T14:47:43.366202Z","structure_string":"Ag4 S2\n1.0\n7.549481 0.000000 0.000000\n0.000000 4.223035 0.000000\n0.000000 1.487861 3.968908\nAg S\n4 2\ndirect\n0.750000 0.130570 0.108110 Ag\n0.250000 0.869430 0.891890 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.500000 Ag\n0.750000 0.736430 0.710199 S\n0.250000 0.263570 0.289801 S\n","nsites":6,"nelements":2,"elements":["Ag","S"],"chemical_system":"Ag-S","density":6.5038428577667515,"density_atomic":0.047417476879380825,"volume":126.5356234635306,"volume_molar":12.700255594195667,"formula_full":"Ag4 S2","formula_reduced":"Ag2S","formula_anonymous":"AB2","energy":-20.89083048,"energy_per_atom":-3.4818050800000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.88483048,"band_gap":1.1894,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.001806,"is_theoretical":true,"updated_at":"2021-11-28T01:38:21.820000Z","spacegroup":11},{"id":"mp-1219673","created_at":"2022-09-04T14:47:42.632137Z","structure_string":"Rb1 Ti6 Se8\n1.0\n0.000104 0.000019 -3.595838\n-4.984893 -8.636007 0.000188\n-4.989934 8.638915 0.000099\nRb Ti Se\n1 6 8\ndirect\n0.500000 0.000000 0.000000 Rb\n0.749735 0.362185 0.870003 Ti\n0.749742 0.130095 0.492266 Ti\n0.749678 0.507830 0.637955 Ti\n0.250265 0.637815 0.129997 Ti\n0.250258 0.869905 0.507734 Ti\n0.250322 0.492170 0.362045 Ti\n0.749980 0.666646 0.333298 Se\n0.250020 0.333354 0.666702 Se\n0.751731 0.051273 0.698763 Se\n0.751819 0.301236 0.352392 Se\n0.751690 0.647626 0.948965 Se\n0.248269 0.948727 0.301237 Se\n0.248181 0.698764 0.647608 Se\n0.248310 0.352374 0.051035 Se\n","nsites":15,"nelements":3,"elements":["Rb","Ti","Se"],"chemical_system":"Rb-Se-Ti","density":5.383225133467853,"density_atomic":0.04841720410714925,"volume":309.80723229710634,"volume_molar":12.438018409061284,"formula_full":"Rb1 Ti6 Se8","formula_reduced":"Rb(Ti3Se4)2","formula_anonymous":"AB6C8","energy":-98.38104961,"energy_per_atom":-6.558736640666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-94.60504961,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.8500851,"is_theoretical":true,"updated_at":"2021-11-28T01:38:19.145000Z","spacegroup":147}]}