{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=12160","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=is_stable&page=12158","results":[{"id":"mp-1181360","created_at":"2022-09-04T14:40:00.581637Z","structure_string":"Na1 Al3 Fe6 S2 O38\n1.0\n4.386705 2.457306 11.874838\n-4.424255 2.403917 11.890079\n-0.066344 -5.106278 11.926183\nNa Al Fe S O\n1 3 6 2 38\ndirect\n0.000948 0.992466 0.005393 Na\n0.833714 0.832552 0.832931 Al\n0.165305 0.168964 0.167743 Al\n0.501818 0.498608 0.498892 Al\n0.498230 0.166117 0.832547 Fe\n0.168313 0.835158 0.499750 Fe\n0.832907 0.501890 0.165702 Fe\n0.500166 0.831308 0.166676 Fe\n0.834123 0.162241 0.502584 Fe\n0.169013 0.498862 0.835315 Fe\n0.305969 0.299419 0.299227 S\n0.700471 0.696352 0.699025 S\n0.648750 0.664353 0.656863 O\n0.342270 0.340143 0.348250 O\n0.404491 0.104584 0.352455 O\n0.108394 0.360024 0.403845 O\n0.362104 0.401647 0.102420 O\n0.596288 0.895202 0.638180 O\n0.895592 0.641288 0.598375 O\n0.648263 0.594509 0.894682 O\n0.297142 0.975946 0.308168 O\n0.969533 0.305571 0.305367 O\n0.295013 0.312575 0.975229 O\n0.706786 0.020666 0.688695 O\n0.032209 0.694966 0.696480 O\n0.705162 0.686545 0.025693 O\n0.962227 0.978641 0.642474 O\n0.964578 0.643427 0.975151 O\n0.637868 0.968405 0.971064 O\n0.025032 0.032888 0.361830 O\n0.025121 0.362050 0.033118 O\n0.354542 0.035537 0.028796 O\n0.640818 0.302291 0.635576 O\n0.312446 0.633866 0.635541 O\n0.644590 0.630932 0.305481 O\n0.371327 0.690644 0.357221 O\n0.696103 0.359965 0.363064 O\n0.365607 0.360510 0.692283 O\n0.745599 0.314267 0.775676 O\n0.308200 0.777595 0.744934 O\n0.774669 0.744958 0.306877 O\n0.254936 0.692327 0.222602 O\n0.681041 0.234426 0.248590 O\n0.215930 0.256856 0.694157 O\n0.892308 0.188405 0.776223 O\n0.189689 0.766709 0.897103 O\n0.773754 0.895094 0.181854 O\n0.103643 0.810952 0.231602 O\n0.810222 0.234222 0.102867 O\n0.226681 0.103077 0.815431 O\n","nsites":50,"nelements":5,"elements":["Na","Al","Fe","S","O"],"chemical_system":"Al-Fe-Na-O-S","density":2.3355476731638403,"density_atomic":0.06329245880075583,"volume":789.9835295923581,"volume_molar":9.514784026573613,"formula_full":"Na1 Al3 Fe6 S2 O38","formula_reduced":"NaAl3Fe6(SO19)2","formula_anonymous":"AB2C3D6E38","energy":-307.80398777,"energy_per_atom":-6.1560797553999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-288.14998777,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":29.9957226,"is_theoretical":true,"updated_at":"2021-11-28T01:34:47.570000Z","spacegroup":1},{"id":"mp-26255","created_at":"2022-09-04T14:40:00.588268Z","structure_string":"Li8 Fe4 P8 O28\n1.0\n13.615598 0.000000 0.000000\n0.000000 5.114407 0.000000\n0.000000 0.336209 8.021412\nLi Fe P O\n8 4 8 28\ndirect\n0.103126 0.165153 0.864701 Li\n0.896874 0.834847 0.135299 Li\n0.305673 0.251818 0.166435 Li\n0.805673 0.248182 0.333565 Li\n0.396874 0.665153 0.364701 Li\n0.694327 0.748182 0.833565 Li\n0.194327 0.751818 0.666435 Li\n0.603126 0.334847 0.635299 Li\n0.161068 0.789854 0.238227 Fe\n0.661068 0.710146 0.261773 Fe\n0.338932 0.289854 0.738227 Fe\n0.838932 0.210146 0.761773 Fe\n0.822145 0.738981 0.533256 P\n0.177855 0.261019 0.466744 P\n0.529417 0.197810 0.276835 P\n0.029417 0.302190 0.223165 P\n0.322145 0.761019 0.966744 P\n0.970583 0.697810 0.776835 P\n0.677855 0.238981 0.033256 P\n0.470583 0.802190 0.723165 P\n0.937496 0.723074 0.578230 O\n0.105171 0.144574 0.124066 O\n0.562504 0.223074 0.078230 O\n0.705904 0.530047 0.046616 O\n0.294096 0.469953 0.953384 O\n0.437496 0.776926 0.921770 O\n0.894829 0.855426 0.875934 O\n0.268343 0.941439 0.839438 O\n0.690562 0.148014 0.854073 O\n0.964185 0.399797 0.819971 O\n0.072617 0.811267 0.781132 O\n0.572617 0.688733 0.718868 O\n0.464185 0.100203 0.680029 O\n0.309438 0.851986 0.145927 O\n0.190562 0.351986 0.645927 O\n0.394829 0.644574 0.624066 O\n0.768343 0.558561 0.660562 O\n0.794096 0.030047 0.546616 O\n0.205904 0.969953 0.453384 O\n0.062504 0.276926 0.421770 O\n0.605171 0.355426 0.375934 O\n0.809438 0.648014 0.354073 O\n0.231657 0.441439 0.339438 O\n0.535815 0.899797 0.319971 O\n0.427383 0.311267 0.281132 O\n0.927383 0.188733 0.218868 O\n0.035815 0.600203 0.180029 O\n0.731657 0.058561 0.160562 O\n","nsites":48,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.897536396621497,"density_atomic":0.08593269015577608,"volume":558.5767175796209,"volume_molar":7.007974205256757,"formula_full":"Li8 Fe4 P8 O28","formula_reduced":"Li2FeP2O7","formula_anonymous":"AB2C2D7","energy":-353.6795116,"energy_per_atom":-7.368323158333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-325.4195116,"band_gap":3.8745,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.9999525,"is_theoretical":true,"updated_at":"2021-11-28T01:34:55.021000Z","spacegroup":14},{"id":"mp-1364133","created_at":"2022-09-04T14:40:00.597293Z","structure_string":"Ti45 Se16\n1.0\n-3.465363 0.000000 0.000000\n-0.001660 -16.459682 0.000000\n1.732748 0.486975 17.695421\nTi Se\n45 16\ndirect\n0.272082 0.656358 0.455962 Ti\n0.658624 0.067535 0.684993 Ti\n0.648011 0.469707 0.712332 Ti\n0.622681 0.667259 0.756891 Ti\n0.440853 0.559343 0.119066 Ti\n0.358548 0.529932 0.286922 Ti\n0.381169 0.332104 0.243489 Ti\n0.473383 0.368279 0.057730 Ti\n0.567851 0.834275 0.865825 Ti\n0.965648 0.044792 0.073513 Ti\n0.733436 0.342036 0.543947 Ti\n0.561692 0.441128 0.881158 Ti\n0.697818 0.900118 0.599003 Ti\n0.134378 0.933780 0.731538 Ti\n0.740246 0.139118 0.526514 Ti\n0.302717 0.099196 0.401014 Ti\n0.782087 0.980298 0.438033 Ti\n0.184938 0.748635 0.627212 Ti\n0.782024 0.514378 0.440993 Ti\n0.183947 0.204470 0.640201 Ti\n0.262028 0.860233 0.473467 Ti\n0.994819 0.203735 0.013850 Ti\n0.092357 0.124944 0.821367 Ti\n0.000769 0.499879 0.000331 Ti\n0.897653 0.663612 0.206094 Ti\n0.912761 0.874737 0.178919 Ti\n0.915658 0.449336 0.172496 Ti\n0.088223 0.550570 0.827033 Ti\n0.523201 0.091178 0.957610 Ti\n0.435002 0.165525 0.134262 Ti\n0.528904 0.631291 0.942244 Ti\n0.554731 0.246124 0.895282 Ti\n0.293221 0.385351 0.420386 Ti\n0.106672 0.336677 0.793884 Ti\n0.821458 0.794294 0.360025 Ti\n0.447315 0.753890 0.104874 Ti\n0.007373 0.796470 0.986483 Ti\n0.868313 0.065308 0.269831 Ti\n0.711706 0.613710 0.579351 Ti\n0.223617 0.484524 0.559096 Ti\n0.344974 0.931235 0.316147 Ti\n0.218809 0.019393 0.562800 Ti\n0.480250 0.908665 0.043560 Ti\n0.817958 0.250550 0.372250 Ti\n0.038417 0.954958 0.927605 Ti\n0.029395 0.349759 0.945995 Se\n0.179616 0.363606 0.652830 Se\n0.376481 0.781498 0.250109 Se\n0.638736 0.815648 0.721021 Se\n0.972623 0.650420 0.053828 Se\n0.263599 0.241677 0.481479 Se\n0.589437 0.002119 0.825139 Se\n0.070873 0.711127 0.859493 Se\n0.364239 0.183455 0.278904 Se\n0.161505 0.584619 0.681456 Se\n0.843720 0.415266 0.318248 Se\n0.628981 0.218121 0.750081 Se\n0.827394 0.635320 0.346988 Se\n0.739463 0.757354 0.517927 Se\n0.414655 0.997287 0.176193 Se\n0.932009 0.288772 0.140847 Se\n","nsites":61,"nelements":2,"elements":["Ti","Se"],"chemical_system":"Se-Ti","density":5.622256579669804,"density_atomic":0.06043642421220404,"volume":1009.325101462276,"volume_molar":9.96442267804444,"formula_full":"Ti45 Se16","formula_reduced":"Ti45Se16","formula_anonymous":"A16B45","energy":-447.92245968,"energy_per_atom":-7.342991142295082,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-440.37045968,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0840091,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.860000Z","spacegroup":2},{"id":"mp-1187823","created_at":"2022-09-04T14:40:00.650280Z","structure_string":"Tm2 In1 Hg1\n1.0\n0.000000 3.708289 3.708289\n3.708289 0.000000 3.708289\n3.708289 3.708289 0.000000\nTm In Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Tm\n0.250000 0.250000 0.250000 Tm\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Hg\n","nsites":4,"nelements":3,"elements":["Tm","In","Hg"],"chemical_system":"Hg-In-Tm","density":10.636417251811743,"density_atomic":0.039220152409381856,"volume":101.9883849059995,"volume_molar":15.35471024472471,"formula_full":"Tm2 In1 Hg1","formula_reduced":"Tm2InHg","formula_anonymous":"ABC2","energy":-13.75871266,"energy_per_atom":-3.439678165,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-13.75871266,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010533,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.160000Z","spacegroup":225},{"id":"mp-1228842","created_at":"2022-09-04T14:40:00.558762Z","structure_string":"Au1 N7 O9\n1.0\n3.803767 -7.108951 0.000000\n3.803767 7.108951 0.000000\n0.000000 0.000000 5.359061\nAu N O\n1 7 9\ndirect\n0.999027 0.999027 0.000000 Au\n0.227702 0.766045 0.500000 N\n0.766045 0.227702 0.500000 N\n0.294014 0.089468 0.000000 N\n0.705471 0.908028 0.000000 N\n0.089468 0.294014 0.000000 N\n0.908028 0.705471 0.000000 N\n0.430670 0.430670 0.500000 N\n0.133811 0.848475 0.500000 O\n0.848475 0.133811 0.500000 O\n0.275099 0.724635 0.297529 O\n0.724635 0.275099 0.297529 O\n0.724635 0.275099 0.702471 O\n0.275099 0.724635 0.702471 O\n0.512288 0.512288 0.296921 O\n0.512288 0.512288 0.703079 O\n0.265245 0.265245 0.500000 O\n","nsites":17,"nelements":3,"elements":["Au","N","O"],"chemical_system":"Au-N-O","density":2.5152634320253178,"density_atomic":0.0586557778060611,"volume":289.82652069176606,"volume_molar":10.266918256393343,"formula_full":"Au1 N7 O9","formula_reduced":"AuN7O9","formula_anonymous":"AB7C9","energy":-94.63919042,"energy_per_atom":-5.567011201176471,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-88.45619042,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0712192,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.270000Z","spacegroup":38},{"id":"mp-23480","created_at":"2022-09-04T14:40:00.565941Z","structure_string":"Bi8 W4 O24\n1.0\n5.486508 0.000000 0.000000\n0.000000 5.518035 0.000000\n0.000000 0.000000 17.107781\nBi W O\n8 4 24\ndirect\n0.024413 0.019376 0.924360 Bi\n0.975587 0.519376 0.075640 Bi\n0.475587 0.519376 0.924360 Bi\n0.524413 0.019376 0.075640 Bi\n0.975614 0.035134 0.575562 Bi\n0.024386 0.535134 0.424438 Bi\n0.524386 0.535134 0.575562 Bi\n0.475614 0.035134 0.424438 Bi\n0.497150 0.974293 0.750202 W\n0.502850 0.474293 0.249798 W\n0.002850 0.474293 0.750202 W\n0.997150 0.974293 0.249798 W\n0.915318 0.429170 0.643154 O\n0.084682 0.929170 0.356846 O\n0.584682 0.929170 0.643154 O\n0.415318 0.429170 0.356846 O\n0.274696 0.669922 0.729102 O\n0.725304 0.169922 0.270898 O\n0.225304 0.169922 0.729102 O\n0.774696 0.669922 0.270898 O\n0.782750 0.724338 0.771127 O\n0.217250 0.224338 0.228873 O\n0.717250 0.224338 0.771127 O\n0.282750 0.724338 0.228873 O\n0.918498 0.913604 0.142655 O\n0.081502 0.413604 0.857345 O\n0.581502 0.413604 0.142655 O\n0.418498 0.913604 0.857345 O\n0.739231 0.743341 0.999475 O\n0.260769 0.243341 0.000525 O\n0.760769 0.243341 0.999475 O\n0.239231 0.743341 0.000525 O\n0.760308 0.759321 0.499325 O\n0.239692 0.259321 0.500675 O\n0.739692 0.259321 0.499325 O\n0.260308 0.759321 0.500675 O\n","nsites":36,"nelements":3,"elements":["Bi","W","O"],"chemical_system":"Bi-O-W","density":8.948786802831055,"density_atomic":0.06950696907189116,"volume":517.9336760140576,"volume_molar":8.664081948058028,"formula_full":"Bi8 W4 O24","formula_reduced":"Bi2WO6","formula_anonymous":"AB2C6","energy":-272.1397595,"energy_per_atom":-7.55943776388889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-237.8997595,"band_gap":1.6037,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":6.58e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:34:53.504000Z","spacegroup":29},{"id":"mp-1224102","created_at":"2022-09-04T14:40:00.571002Z","structure_string":"In2 Cu2 Sn2 S8\n1.0\n-3.747599 3.748296 5.280485\n3.747599 -3.748296 5.280485\n3.747599 3.748296 -5.280485\nIn Cu Sn S\n2 2 2 8\ndirect\n0.000000 0.500000 0.500000 In\n0.500000 0.500000 0.000000 In\n0.128399 0.878399 0.250000 Cu\n0.871601 0.121601 0.750000 Cu\n0.500000 0.000000 0.000000 Sn\n0.500000 0.500000 0.500000 Sn\n0.253010 0.248406 0.004603 S\n0.743803 0.248406 0.495397 S\n0.743974 0.740036 0.496061 S\n0.743974 0.247913 0.003939 S\n0.746990 0.751594 0.995397 S\n0.256197 0.751594 0.504603 S\n0.256026 0.259964 0.503939 S\n0.256026 0.752087 0.996061 S\n","nsites":14,"nelements":4,"elements":["In","Cu","Sn","S"],"chemical_system":"Cu-In-S-Sn","density":4.760892716358655,"density_atomic":0.04718535612895985,"volume":296.70222180240256,"volume_molar":12.762732453562922,"formula_full":"In2 Cu2 Sn2 S8","formula_reduced":"InCuSnS4","formula_anonymous":"ABCD4","energy":-64.89093785,"energy_per_atom":-4.635066989285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-60.86693785,"band_gap":0.375,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0016008,"is_theoretical":true,"updated_at":"2021-11-28T01:35:05.572000Z","spacegroup":74},{"id":"mp-4193","created_at":"2022-09-04T14:40:00.582252Z","structure_string":"Tm9 Fe10 Ge10\n1.0\n-2.679768 6.617449 6.981794\n2.679768 -6.617449 6.981794\n2.679768 6.617449 -6.981794\nTm Fe Ge\n9 10 10\ndirect\n0.500000 0.000000 0.500000 Tm\n0.779466 0.000000 0.779466 Tm\n0.220534 0.000000 0.220534 Tm\n0.196755 0.196755 0.000000 Tm\n0.803245 0.803245 0.000000 Tm\n0.988583 0.635166 0.353417 Tm\n0.011417 0.364834 0.646583 Tm\n0.718252 0.364834 0.353417 Tm\n0.281748 0.635166 0.646583 Tm\n0.406980 0.406980 0.000000 Fe\n0.593020 0.593020 0.000000 Fe\n0.202061 0.102708 0.613446 Fe\n0.797939 0.411385 0.900646 Fe\n0.510739 0.897292 0.099354 Fe\n0.489261 0.588615 0.386554 Fe\n0.797939 0.897292 0.386554 Fe\n0.202061 0.588615 0.099354 Fe\n0.489261 0.102708 0.900646 Fe\n0.510739 0.411385 0.613446 Fe\n0.000000 0.752292 0.752292 Ge\n0.000000 0.247708 0.247708 Ge\n0.671876 0.500000 0.171876 Ge\n0.328124 0.500000 0.828124 Ge\n0.291723 0.791723 0.500000 Ge\n0.708277 0.208277 0.500000 Ge\n0.992991 0.205114 0.787877 Ge\n0.007009 0.794886 0.212123 Ge\n0.582763 0.794886 0.787877 Ge\n0.417237 0.205114 0.212123 Ge\n","nsites":29,"nelements":3,"elements":["Tm","Fe","Ge"],"chemical_system":"Fe-Ge-Tm","density":9.406045350001625,"density_atomic":0.058557587525566966,"volume":495.2389814101929,"volume_molar":10.284133985831742,"formula_full":"Tm9 Fe10 Ge10","formula_reduced":"Tm9(FeGe)10","formula_anonymous":"A9B10C10","energy":-187.10431941,"energy_per_atom":-6.451873083103448,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-187.10431941,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":16.1880397,"is_theoretical":false,"updated_at":"2021-11-28T01:34:44.694000Z","spacegroup":71},{"id":"mp-1218722","created_at":"2022-09-04T14:40:00.591051Z","structure_string":"Sr2 Pr2 Cr1 Ni1 O8\n1.0\n2.718162 -6.307387 0.000000\n2.718162 6.307387 0.000000\n0.000000 0.000000 5.468509\nSr Pr Cr Ni O\n2 2 1 1 8\ndirect\n0.854329 0.145671 0.500000 Sr\n0.645263 0.354737 0.000000 Sr\n0.361359 0.638641 0.000000 Pr\n0.137907 0.862093 0.500000 Pr\n0.501716 0.498284 0.500000 Cr\n0.997976 0.002024 0.000000 Ni\n0.744724 0.743728 0.741440 O\n0.256272 0.255276 0.258560 O\n0.256272 0.255276 0.741440 O\n0.744724 0.743728 0.258560 O\n0.178031 0.821969 0.000000 O\n0.659597 0.340403 0.500000 O\n0.327764 0.672236 0.500000 O\n0.834065 0.165935 0.000000 O\n","nsites":14,"nelements":5,"elements":["Sr","Pr","Cr","Ni","O"],"chemical_system":"Cr-Ni-O-Pr-Sr","density":6.16129961008566,"density_atomic":0.07466280354875089,"volume":187.5097014118782,"volume_molar":8.065784398342153,"formula_full":"Sr2 Pr2 Cr1 Ni1 O8","formula_reduced":"Sr2Pr2CrNiO8","formula_anonymous":"ABC2D2E8","energy":-108.21243947,"energy_per_atom":-7.729459962142857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-98.17643947,"band_gap":0.9128999999999996,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0008517,"is_theoretical":true,"updated_at":"2021-11-28T01:34:46.733000Z","spacegroup":38},{"id":"mp-1176199","created_at":"2022-09-04T14:40:00.616513Z","structure_string":"Li9 Mn2 Co5 O16\n1.0\n5.070760 0.000000 0.000000\n-1.680236 4.852652 0.000000\n-0.221000 -0.190150 11.692725\nLi Mn Co O\n9 2 5 16\ndirect\n0.004559 0.504098 0.123906 Li\n0.503320 0.495823 0.246904 Li\n0.004276 0.503141 0.370905 Li\n0.499742 0.499507 0.494561 Li\n0.005543 0.501617 0.624014 Li\n0.501158 0.498817 0.752387 Li\n0.989196 0.493781 0.879495 Li\n0.497153 0.502522 0.008148 Li\n0.501923 0.002854 0.125265 Li\n0.994364 0.990138 0.002212 Mn\n0.502643 0.004217 0.625450 Mn\n0.997667 0.014851 0.245057 Co\n0.493093 0.997415 0.365368 Co\n0.000278 0.001546 0.493858 Co\n0.993696 0.997726 0.751915 Co\n0.496708 0.995856 0.884668 Co\n0.233239 0.768136 0.993658 O\n0.776138 0.767311 0.118623 O\n0.254344 0.773079 0.257405 O\n0.767866 0.769447 0.380372 O\n0.267865 0.775720 0.506917 O\n0.753484 0.782813 0.631627 O\n0.263708 0.784950 0.745371 O\n0.749892 0.759050 0.880027 O\n0.761741 0.234928 0.255364 O\n0.252523 0.240928 0.376379 O\n0.736668 0.224361 0.507593 O\n0.257878 0.226307 0.622776 O\n0.744568 0.225226 0.746822 O\n0.219659 0.213120 0.874634 O\n0.750027 0.219469 0.991965 O\n0.225080 0.231245 0.116349 O\n","nsites":32,"nelements":4,"elements":["Li","Mn","Co","O"],"chemical_system":"Co-Li-Mn-O","density":4.172730493317166,"density_atomic":0.11121978190950052,"volume":287.7186005097401,"volume_molar":5.414630973562072,"formula_full":"Li9 Mn2 Co5 O16","formula_reduced":"Li9Mn2Co5O16","formula_anonymous":"A2B5C9D16","energy":-208.4526181,"energy_per_atom":-6.514144315625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-185.9346181,"band_gap":0.5143999999999997,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9997949,"is_theoretical":true,"updated_at":"2021-11-28T01:35:03.371000Z","spacegroup":1},{"id":"mp-543107","created_at":"2022-09-04T14:40:00.643420Z","structure_string":"Fe8 As12 O48\n1.0\n8.697212 0.002645 0.000000\n-0.160201 12.326260 0.000000\n0.000000 0.000000 8.999182\nFe As O\n8 12 48\ndirect\n0.250087 0.884903 0.024984 Fe\n0.249913 0.615097 0.524984 Fe\n0.253913 0.382900 0.971592 Fe\n0.246087 0.117100 0.471592 Fe\n0.753913 0.882900 0.528408 Fe\n0.746087 0.617100 0.028408 Fe\n0.750087 0.384903 0.475016 Fe\n0.749913 0.115097 0.975016 Fe\n0.036964 0.491261 0.250603 As\n0.111636 0.848136 0.378421 As\n0.113312 0.139851 0.112538 As\n0.388364 0.651864 0.878421 As\n0.386688 0.360149 0.612538 As\n0.463036 0.008739 0.750603 As\n0.536964 0.991261 0.249397 As\n0.613312 0.639851 0.387462 As\n0.611636 0.348136 0.121579 As\n0.886688 0.860149 0.887462 As\n0.888364 0.151864 0.621579 As\n0.963036 0.508739 0.749397 As\n0.059833 0.439376 0.884893 O\n0.073087 0.906781 0.884106 O\n0.072706 0.611716 0.671686 O\n0.071928 0.189632 0.574151 O\n0.096853 0.594569 0.365792 O\n0.115711 0.837720 0.187249 O\n0.138147 0.982378 0.422906 O\n0.127010 0.247434 0.992046 O\n0.167324 0.186239 0.285267 O\n0.194294 0.429904 0.175528 O\n0.242488 0.772832 0.474788 O\n0.257512 0.727168 0.974788 O\n0.244844 0.044248 0.056669 O\n0.255156 0.455752 0.556669 O\n0.305706 0.070096 0.675528 O\n0.332676 0.313761 0.785267 O\n0.361853 0.517622 0.922906 O\n0.372990 0.252566 0.492046 O\n0.384289 0.662280 0.687249 O\n0.403147 0.905431 0.865792 O\n0.427294 0.888284 0.171686 O\n0.426913 0.593219 0.384106 O\n0.428072 0.310368 0.074151 O\n0.440167 0.060624 0.384893 O\n0.559833 0.939376 0.615107 O\n0.571928 0.689632 0.925849 O\n0.573087 0.406781 0.615894 O\n0.572706 0.111716 0.828314 O\n0.596853 0.094569 0.134208 O\n0.615711 0.337720 0.312751 O\n0.627010 0.747434 0.507954 O\n0.638147 0.482378 0.077094 O\n0.667324 0.686239 0.214733 O\n0.694294 0.929904 0.324472 O\n0.744844 0.544248 0.443331 O\n0.755156 0.955752 0.943331 O\n0.742488 0.272832 0.025212 O\n0.757512 0.227168 0.525212 O\n0.805706 0.570096 0.824472 O\n0.832676 0.813761 0.714733 O\n0.872990 0.752566 0.007954 O\n0.861853 0.017622 0.577094 O\n0.884289 0.162280 0.812751 O\n0.903147 0.405431 0.634208 O\n0.928072 0.810368 0.425849 O\n0.927294 0.388284 0.328314 O\n0.926913 0.093219 0.115894 O\n0.940167 0.560624 0.115107 O\n","nsites":68,"nelements":3,"elements":["Fe","As","O"],"chemical_system":"As-Fe-O","density":3.6382696734758886,"density_atomic":0.07048436321205855,"volume":964.7529877714278,"volume_molar":8.54393866322073,"formula_full":"Fe8 As12 O48","formula_reduced":"Fe2(AsO4)3","formula_anonymous":"A2B3C12","energy":-453.8033413300001,"energy_per_atom":-6.673578548970589,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-402.77934133,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":28.0038737,"is_theoretical":true,"updated_at":"2021-11-28T01:34:44.427000Z","spacegroup":14},{"id":"mp-1214520","created_at":"2022-09-04T14:40:00.618562Z","structure_string":"Ba2 Nb2 I10 O32\n1.0\n3.818591 7.166060 0.000000\n-3.818591 7.166060 0.000000\n0.000000 6.054190 14.023491\nBa Nb I O\n2 2 10 32\ndirect\n0.979387 0.265523 0.504719 Ba\n0.265523 0.979387 0.004719 Ba\n0.408798 0.465189 0.911219 Nb\n0.465189 0.408798 0.411219 Nb\n0.415323 0.763601 0.670629 I\n0.763601 0.415323 0.170629 I\n0.025893 0.712749 0.576297 I\n0.712749 0.025893 0.076297 I\n0.914320 0.230436 0.782238 I\n0.230436 0.914320 0.282238 I\n0.127757 0.532628 0.230965 I\n0.532628 0.127757 0.730965 I\n0.900859 0.653805 0.889538 I\n0.653805 0.900859 0.389538 I\n0.179433 0.594387 0.665876 O\n0.594387 0.179433 0.165876 O\n0.798183 0.026350 0.669640 O\n0.026350 0.798183 0.169640 O\n0.310987 0.531756 0.277987 O\n0.531756 0.310987 0.777987 O\n0.191046 0.008697 0.649684 O\n0.008697 0.191046 0.149684 O\n0.888523 0.111609 0.000448 O\n0.111609 0.888523 0.500448 O\n0.154258 0.445924 0.927677 O\n0.445924 0.154258 0.427677 O\n0.884177 0.408562 0.668140 O\n0.408562 0.884177 0.168140 O\n0.313478 0.717319 0.803230 O\n0.717319 0.313478 0.303230 O\n0.693060 0.423611 0.856855 O\n0.423611 0.693060 0.356855 O\n0.336222 0.610286 0.994986 O\n0.610286 0.336222 0.494986 O\n0.556387 0.936060 0.841678 O\n0.936060 0.556387 0.341678 O\n0.185204 0.508713 0.497603 O\n0.508713 0.185204 0.997603 O\n0.106420 0.233773 0.815019 O\n0.233773 0.106420 0.315019 O\n0.733183 0.602839 0.997108 O\n0.602839 0.733183 0.497108 O\n0.895216 0.861051 0.911298 O\n0.861051 0.895216 0.411298 O\n0.578102 0.851139 0.670705 O\n0.851139 0.578102 0.170705 O\n","nsites":46,"nelements":4,"elements":["Ba","Nb","I","O"],"chemical_system":"Ba-I-Nb-O","density":4.849719500779166,"density_atomic":0.0599360490566177,"volume":767.4846894987486,"volume_molar":10.047610502839909,"formula_full":"Ba2 Nb2 I10 O32","formula_reduced":"BaNbI5O16","formula_anonymous":"ABC5D16","energy":-262.53051083,"energy_per_atom":-5.707185018043479,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-240.54651083,"band_gap":2.8858,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0084802,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.916000Z","spacegroup":9}]}