{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=42","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=-decomposes_to&page=40","results":[{"id":"mp-20269","created_at":"2022-09-04T14:43:08.278265Z","structure_string":"Mn1 Ga1 Pt1\n1.0\n0.000000 2.923641 2.923641\n2.923641 0.000000 2.923641\n2.923641 2.923641 0.000000\nMn Ga Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Pt\n","nsites":3,"nelements":3,"elements":["Mn","Ga","Pt"],"chemical_system":"Ga-Mn-Pt","density":10.623088363237631,"density_atomic":0.06002319765559742,"volume":49.98067609149172,"volume_molar":10.033022223430992,"formula_full":"Mn1 Ga1 Pt1","formula_reduced":"MnGaPt","formula_anonymous":"ABC","energy":-18.8050817,"energy_per_atom":-6.268360566666666,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.8050817,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.3209462,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.857000Z","spacegroup":216},{"id":"mp-550925","created_at":"2022-09-04T14:43:08.281822Z","structure_string":"Na1 Sc1 As2 O7\n1.0\n4.437481 3.537010 0.000000\n-4.437481 3.537010 0.000000\n0.000000 1.018362 4.784462\nNa Sc As O\n1 1 2 7\ndirect\n0.245858 0.754142 0.500000 Na\n0.631653 0.368347 0.500000 Sc\n0.176435 0.251443 0.086048 As\n0.748557 0.823565 0.913952 As\n0.959810 0.373711 0.246114 O\n0.328905 0.425389 0.778239 O\n0.361859 0.162382 0.305538 O\n0.626289 0.040190 0.753886 O\n0.041581 0.958419 0.000000 O\n0.837618 0.638141 0.694462 O\n0.574611 0.671095 0.221761 O\n","nsites":11,"nelements":4,"elements":["Na","Sc","As","O"],"chemical_system":"As-Na-O-Sc","density":3.6462267802885227,"density_atomic":0.07324142504059022,"volume":150.18823014303484,"volume_molar":8.222315112878462,"formula_full":"Na1 Sc1 As2 O7","formula_reduced":"NaScAs2O7","formula_anonymous":"ABC2D7","energy":-77.58765915,"energy_per_atom":-7.053423559090908,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-72.77865915,"band_gap":3.46,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006468,"is_theoretical":false,"updated_at":"2021-11-28T01:36:02.282000Z","spacegroup":5},{"id":"mp-1227028","created_at":"2022-09-04T14:43:08.324389Z","structure_string":"Ca1 Yb1 Al4\n1.0\n0.000000 3.997882 3.997882\n3.997882 0.000000 3.997882\n3.997882 3.997882 0.000000\nCa Yb Al\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Yb\n0.625106 0.625106 0.124683 Al\n0.625106 0.124683 0.625106 Al\n0.124683 0.625106 0.625106 Al\n0.625106 0.625106 0.625106 Al\n","nsites":6,"nelements":3,"elements":["Ca","Yb","Al"],"chemical_system":"Al-Ca-Yb","density":4.171516386979931,"density_atomic":0.04694953986127689,"volume":127.79677964317365,"volume_molar":12.826836594764906,"formula_full":"Ca1 Yb1 Al4","formula_reduced":"CaYbAl4","formula_anonymous":"ABC4","energy":-20.53534657,"energy_per_atom":-3.422557761666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.53534657,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0050949,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.636000Z","spacegroup":216},{"id":"mp-1095893","created_at":"2022-09-04T14:43:08.342488Z","structure_string":"Ti1 Tc2 Sn1\n1.0\n-4.767045 5.537080 7.823677\n4.767045 -5.537080 7.823677\n4.767045 5.537080 -7.823677\nTi Tc Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.225902 0.225902 Tc\n0.000000 0.774098 0.774098 Tc\n0.000000 0.500000 0.500000 Sn\n","nsites":4,"nelements":3,"elements":["Ti","Tc","Sn"],"chemical_system":"Sn-Tc-Ti","density":0.7288671804513044,"density_atomic":0.00484238190236991,"volume":826.0397632087547,"volume_molar":124.36319318500475,"formula_full":"Ti1 Tc2 Sn1","formula_reduced":"TiTc2Sn","formula_anonymous":"ABC2","energy":-19.97421664,"energy_per_atom":-4.99355416,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-19.97421664,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.2168314,"is_theoretical":true,"updated_at":"2021-11-28T01:36:05.612000Z","spacegroup":71},{"id":"mp-768529","created_at":"2022-09-04T14:43:08.427540Z","structure_string":"Li2 Mn2 V2 P6 O24\n1.0\n8.254350 0.000000 0.000000\n-4.038608 -7.235152 0.000000\n-3.937670 2.162429 -7.604258\nLi Mn V P O\n2 2 2 6 24\ndirect\n0.055848 0.738224 0.130180 Li\n0.819225 0.061287 0.117802 Li\n0.296624 0.158155 0.436419 Mn\n0.713927 0.850696 0.571297 Mn\n0.296457 0.645123 0.945778 V\n0.683336 0.342687 0.045751 V\n0.212002 0.254998 0.748849 P\n0.501812 0.966696 0.749191 P\n0.794837 0.546654 0.752382 P\n0.204796 0.459011 0.246318 P\n0.499615 0.030572 0.255741 P\n0.776896 0.739211 0.247882 P\n0.394767 0.228435 0.892745 O\n0.005175 0.126776 0.744226 O\n0.296170 0.473609 0.814121 O\n0.355532 0.826653 0.820203 O\n0.681092 0.158774 0.904502 O\n0.749803 0.522221 0.910028 O\n0.202174 0.227744 0.574019 O\n0.616812 0.878184 0.729401 O\n0.362826 0.994522 0.582997 O\n0.007132 0.543813 0.821372 O\n0.861051 0.751186 0.743713 O\n0.617199 0.388848 0.587365 O\n0.386524 0.608677 0.416477 O\n0.130375 0.249725 0.253510 O\n0.999760 0.471655 0.180001 O\n0.643603 0.010893 0.425732 O\n0.383305 0.119247 0.275337 O\n0.794311 0.768729 0.424432 O\n0.266741 0.489317 0.098325 O\n0.317395 0.833859 0.111225 O\n0.649925 0.164779 0.184110 O\n0.696139 0.521413 0.182311 O\n0.989916 0.865473 0.253651 O\n0.615813 0.784227 0.105760 O\n","nsites":36,"nelements":5,"elements":["Li","Mn","V","P","O"],"chemical_system":"Li-Mn-O-P-V","density":2.908607485192379,"density_atomic":0.07927114261128627,"volume":454.13751857380794,"volume_molar":7.596889059023849,"formula_full":"Li2 Mn2 V2 P6 O24","formula_reduced":"LiMnV(PO4)3","formula_anonymous":"ABCD3E12","energy":-281.50324843,"energy_per_atom":-7.81953467861111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-258.27924843,"band_gap":0.8234,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":8.0014432,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.279000Z","spacegroup":1},{"id":"mp-6373","created_at":"2022-09-04T14:43:08.429720Z","structure_string":"Li12 Fe8 P12 O48\n1.0\n8.748623 0.000000 0.000000\n0.000000 8.715432 0.000000\n0.000000 8.674698 12.275352\nLi Fe P O\n12 8 12 48\ndirect\n0.936618 0.345977 0.712463 Li\n0.436618 0.654023 0.787537 Li\n0.063382 0.654023 0.287537 Li\n0.563382 0.345977 0.212463 Li\n0.768488 0.616373 0.685748 Li\n0.268488 0.383627 0.814252 Li\n0.231512 0.383627 0.314252 Li\n0.731512 0.616373 0.185748 Li\n0.771265 0.961986 0.818353 Li\n0.271265 0.038014 0.681647 Li\n0.228735 0.038014 0.181647 Li\n0.728735 0.961986 0.318353 Li\n0.959785 0.364561 0.894718 Fe\n0.459785 0.635439 0.605282 Fe\n0.040215 0.635439 0.105282 Fe\n0.540215 0.364561 0.394718 Fe\n0.957176 0.134908 0.609914 Fe\n0.457176 0.865092 0.890086 Fe\n0.042824 0.865092 0.390086 Fe\n0.542824 0.134908 0.109914 Fe\n0.744565 0.542018 0.003751 P\n0.244565 0.457982 0.496249 P\n0.255435 0.457982 0.996249 P\n0.755435 0.542018 0.503751 P\n0.609398 0.253518 0.852224 P\n0.109398 0.746482 0.647776 P\n0.390602 0.746482 0.147776 P\n0.890602 0.253518 0.352224 P\n0.599387 0.960975 0.647194 P\n0.099387 0.039025 0.852806 P\n0.400613 0.039025 0.352806 P\n0.900613 0.960975 0.147194 P\n0.773947 0.340460 0.815009 O\n0.273947 0.659540 0.684991 O\n0.226053 0.659540 0.184991 O\n0.726053 0.340460 0.315009 O\n0.759515 0.989358 0.678725 O\n0.259515 0.010642 0.821275 O\n0.240485 0.010642 0.321275 O\n0.740485 0.989358 0.178725 O\n0.663215 0.562991 0.584749 O\n0.163215 0.437009 0.915251 O\n0.336785 0.437009 0.415251 O\n0.836785 0.562991 0.084749 O\n0.661027 0.731295 0.924667 O\n0.161027 0.268705 0.575333 O\n0.338973 0.268705 0.075333 O\n0.838973 0.731295 0.424667 O\n0.846133 0.506854 0.934092 O\n0.346133 0.493146 0.565908 O\n0.153867 0.493146 0.065908 O\n0.653867 0.506854 0.434092 O\n0.868898 0.379731 0.576548 O\n0.368898 0.620269 0.923452 O\n0.131102 0.620269 0.423452 O\n0.631102 0.379731 0.076548 O\n0.552423 0.123992 0.533016 O\n0.052423 0.876008 0.966984 O\n0.447577 0.876008 0.466984 O\n0.947577 0.123992 0.033016 O\n0.584595 0.181298 0.971249 O\n0.084595 0.818702 0.528751 O\n0.415405 0.818702 0.028751 O\n0.915405 0.181298 0.471249 O\n0.987761 0.590128 0.718737 O\n0.487761 0.409872 0.781263 O\n0.012239 0.409872 0.281263 O\n0.512239 0.590128 0.218737 O\n0.976827 0.065215 0.769332 O\n0.476827 0.934785 0.730668 O\n0.023173 0.934785 0.230668 O\n0.523173 0.065215 0.269332 O\n0.596214 0.769609 0.660608 O\n0.096214 0.230391 0.839392 O\n0.403786 0.230391 0.339392 O\n0.903786 0.769609 0.160608 O\n0.597022 0.092754 0.837269 O\n0.097022 0.907246 0.662731 O\n0.402978 0.907246 0.162731 O\n0.902978 0.092754 0.337269 O\n","nsites":80,"nelements":4,"elements":["Li","Fe","P","O"],"chemical_system":"Fe-Li-O-P","density":2.96228704687764,"density_atomic":0.08547269773474522,"volume":935.9713934415746,"volume_molar":7.045689348298129,"formula_full":"Li12 Fe8 P12 O48","formula_reduced":"Li3Fe2(PO4)3","formula_anonymous":"A2B3C3D12","energy":-593.61982043,"energy_per_atom":-7.420247755375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-542.59582043,"band_gap":2.4096,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":40.0027258,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.890000Z","spacegroup":14},{"id":"mp-1046112","created_at":"2022-09-04T14:43:08.267961Z","structure_string":"Ta4 Zn4 Cr2 O16\n1.0\n2.999609 9.805795 0.000000\n-2.999609 9.805795 0.000000\n0.000000 0.142915 5.296155\nTa Zn Cr O\n4 4 2 16\ndirect\n0.037749 0.728059 0.231502 Ta\n0.271941 0.962251 0.268498 Ta\n0.962251 0.271941 0.768498 Ta\n0.728059 0.037749 0.731502 Ta\n0.871269 0.565681 0.269447 Zn\n0.434319 0.128731 0.230553 Zn\n0.128731 0.434319 0.730553 Zn\n0.565681 0.871269 0.769447 Zn\n0.649118 0.350882 0.250000 Cr\n0.350882 0.649118 0.750000 Cr\n0.043321 0.811089 0.561923 O\n0.188911 0.956679 0.938077 O\n0.956679 0.188911 0.438077 O\n0.811089 0.043321 0.061923 O\n0.305179 0.577533 0.081261 O\n0.422467 0.694821 0.418739 O\n0.694821 0.422467 0.918739 O\n0.577533 0.305179 0.581261 O\n0.923833 0.717711 0.932873 O\n0.282289 0.076167 0.567127 O\n0.452286 0.159649 0.860311 O\n0.840351 0.547715 0.639689 O\n0.547714 0.840351 0.139689 O\n0.159649 0.452286 0.360311 O\n0.717711 0.923833 0.432873 O\n0.076167 0.282289 0.067127 O\n","nsites":26,"nelements":4,"elements":["Ta","Zn","Cr","O"],"chemical_system":"Cr-O-Ta-Zn","density":7.170767596934373,"density_atomic":0.08345170377220247,"volume":311.5574496953593,"volume_molar":7.216318526507973,"formula_full":"Ta4 Zn4 Cr2 O16","formula_reduced":"Ta2Zn2CrO8","formula_anonymous":"AB2C2D8","energy":-219.65899557,"energy_per_atom":-8.448422906538461,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-204.66899557,"band_gap":1.2363,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":8.0005028,"is_theoretical":true,"updated_at":"2021-11-28T01:36:02.073000Z","spacegroup":15},{"id":"mp-1250310","created_at":"2022-09-04T14:43:08.481395Z","structure_string":"Mg8 Si14\n1.0\n14.780538 -0.040988 0.165925\n0.666683 4.355787 0.000090\n0.047471 -0.007619 5.802496\nMg Si\n8 14\ndirect\n0.088494 0.484498 0.204207 Mg\n0.477191 0.297622 0.452584 Mg\n0.601064 0.740100 0.211078 Mg\n0.350729 0.858686 0.693315 Mg\n0.131937 0.466045 0.706873 Mg\n0.847642 0.110666 0.214459 Mg\n0.567120 0.751077 0.720431 Mg\n0.387829 0.841198 0.186134 Mg\n0.024263 0.019396 0.492745 Si\n0.020810 0.011570 0.918507 Si\n0.931702 0.560098 0.498314 Si\n0.932246 0.568432 0.922069 Si\n0.472217 0.297363 0.950384 Si\n0.669740 0.207960 0.919163 Si\n0.758477 0.666955 0.922793 Si\n0.194805 0.931880 0.989536 Si\n0.282537 0.392955 0.408156 Si\n0.672404 0.203351 0.486113 Si\n0.758582 0.657562 0.490915 Si\n0.194263 0.941016 0.409399 Si\n0.289051 0.387157 0.988325 Si\n0.843247 0.104380 0.718192 Si\n","nsites":22,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.611217505315022,"density_atomic":0.058871825004753325,"volume":373.69318851969877,"volume_molar":10.22924082872201,"formula_full":"Mg8 Si14","formula_reduced":"Mg4Si7","formula_anonymous":"A4B7","energy":-83.8576762,"energy_per_atom":-3.8117125545454544,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-84.8516762,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002143,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.231000Z","spacegroup":1},{"id":"mp-1073157","created_at":"2022-09-04T14:43:08.920047Z","structure_string":"Mg4 Si6\n1.0\n4.821950 0.000000 0.000000\n-1.777711 5.608214 0.000000\n-1.564537 -1.544973 6.963509\nMg Si\n4 6\ndirect\n0.193238 0.810131 0.895709 Mg\n0.806762 0.189869 0.104291 Mg\n0.676899 0.241179 0.686815 Mg\n0.323101 0.758821 0.313185 Mg\n0.195942 0.417339 0.562172 Si\n0.804058 0.582661 0.437828 Si\n0.639824 0.777262 0.693394 Si\n0.360176 0.222738 0.306606 Si\n0.282343 0.313917 0.914847 Si\n0.717657 0.686083 0.085153 Si\n","nsites":10,"nelements":2,"elements":["Mg","Si"],"chemical_system":"Mg-Si","density":2.343252919455399,"density_atomic":0.053103675200738915,"volume":188.31088361019604,"volume_molar":11.340346477405774,"formula_full":"Mg4 Si6","formula_reduced":"Mg2Si3","formula_anonymous":"A2B3","energy":-37.0842839,"energy_per_atom":-3.7084283900000004,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-37.5102839,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0014046,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.630000Z","spacegroup":2},{"id":"mp-1199068","created_at":"2022-09-04T14:43:08.925472Z","structure_string":"Pr2 Cd40 Ni4\n1.0\n0.000000 7.905750 7.905750\n7.905750 0.000000 7.905750\n7.905750 7.905750 0.000000\nPr Cd Ni\n2 40 4\ndirect\n0.500000 0.500000 0.500000 Pr\n0.750000 0.750000 0.750000 Pr\n0.569091 0.300178 0.300178 Cd\n0.300178 0.569091 0.830552 Cd\n0.300178 0.830552 0.569091 Cd\n0.830552 0.300178 0.300178 Cd\n0.300178 0.300178 0.569091 Cd\n0.569091 0.830552 0.300178 Cd\n0.830552 0.569091 0.300178 Cd\n0.300178 0.300178 0.830552 Cd\n0.300178 0.569091 0.300178 Cd\n0.830552 0.300178 0.569091 Cd\n0.569091 0.300178 0.830552 Cd\n0.300178 0.830552 0.300178 Cd\n0.680909 0.949822 0.949822 Cd\n0.949822 0.680909 0.419448 Cd\n0.949822 0.419448 0.680909 Cd\n0.419448 0.949822 0.949822 Cd\n0.949822 0.949822 0.680909 Cd\n0.680909 0.419448 0.949822 Cd\n0.419448 0.680909 0.949822 Cd\n0.949822 0.949822 0.419448 Cd\n0.949822 0.680909 0.949822 Cd\n0.419448 0.949822 0.680909 Cd\n0.680909 0.949822 0.419448 Cd\n0.949822 0.419448 0.949822 Cd\n0.863430 0.863430 0.136570 Cd\n0.136570 0.136570 0.863430 Cd\n0.863430 0.136570 0.863430 Cd\n0.136570 0.863430 0.136570 Cd\n0.136570 0.863430 0.863430 Cd\n0.863430 0.136570 0.136570 Cd\n0.386570 0.386570 0.113430 Cd\n0.113430 0.113430 0.386570 Cd\n0.386570 0.113430 0.386570 Cd\n0.113430 0.386570 0.113430 Cd\n0.113430 0.386570 0.386570 Cd\n0.386570 0.113430 0.113430 Cd\n0.125000 0.625000 0.625000 Cd\n0.625000 0.125000 0.625000 Cd\n0.625000 0.625000 0.125000 Cd\n0.625000 0.625000 0.625000 Cd\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.125000 0.125000 0.125000 Ni\n","nsites":46,"nelements":3,"elements":["Pr","Cd","Ni"],"chemical_system":"Cd-Ni-Pr","density":8.423451505694805,"density_atomic":0.0465477406446526,"volume":988.2327125427188,"volume_molar":12.9375576055845,"formula_full":"Pr2 Cd40 Ni4","formula_reduced":"Pr(Cd10Ni)2","formula_anonymous":"AB2C20","energy":-74.11953593,"energy_per_atom":-1.611294259347826,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-74.11953593,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0303562,"is_theoretical":false,"updated_at":"2021-11-28T01:36:03.408000Z","spacegroup":227},{"id":"mp-1180232","created_at":"2022-09-04T14:43:08.979181Z","structure_string":"Na2 Ca4 Al4 As4 O22 F8\n1.0\n10.927958 0.000000 0.000000\n0.000000 5.620281 0.000000\n0.000000 2.527088 9.371749\nNa Ca Al As O F\n2 4 4 4 22 8\ndirect\n0.750000 0.498377 0.829074 Na\n0.250000 0.501623 0.170926 Na\n0.913842 0.107427 0.641568 Ca\n0.413842 0.892573 0.358432 Ca\n0.086158 0.892573 0.358432 Ca\n0.586158 0.107427 0.641568 Ca\n0.909449 0.484544 0.237222 Al\n0.409449 0.515456 0.762778 Al\n0.090551 0.515456 0.762778 Al\n0.590551 0.484544 0.237222 Al\n0.750000 0.875029 0.002744 As\n0.250000 0.124971 0.997256 As\n0.750000 0.676898 0.460416 As\n0.250000 0.323102 0.539584 As\n0.750000 0.366716 0.275566 O\n0.250000 0.633284 0.724434 O\n0.068734 0.796714 0.844903 O\n0.568734 0.203286 0.155097 O\n0.931266 0.203286 0.155097 O\n0.431266 0.796714 0.844903 O\n0.750000 0.953081 0.820247 O\n0.250000 0.046919 0.179753 O\n0.877320 0.697986 0.057625 O\n0.377320 0.302014 0.942375 O\n0.122680 0.302014 0.942375 O\n0.622680 0.697986 0.057625 O\n0.750000 0.385972 0.572713 O\n0.250000 0.614028 0.427287 O\n0.750000 0.885162 0.558088 O\n0.250000 0.114838 0.441912 O\n0.120138 0.295457 0.646806 O\n0.620138 0.704543 0.353194 O\n0.879862 0.704543 0.353194 O\n0.379862 0.295457 0.646806 O\n0.750000 0.159301 0.048201 O\n0.250000 0.840699 0.951799 O\n0.936140 0.402180 0.780825 F\n0.436140 0.597820 0.219175 F\n0.063860 0.597820 0.219175 F\n0.563860 0.402180 0.780825 F\n0.031267 0.769893 0.604608 F\n0.531267 0.230107 0.395392 F\n0.968733 0.230107 0.395392 F\n0.468733 0.769893 0.604608 F\n","nsites":44,"nelements":6,"elements":["Na","Ca","Al","As","O","F"],"chemical_system":"Al-As-Ca-F-Na-O","density":3.2249713240153817,"density_atomic":0.07644251744046889,"volume":575.5959049133339,"volume_molar":7.877999000608347,"formula_full":"Na2 Ca4 Al4 As4 O22 F8","formula_reduced":"NaCa2Al2As2O11F4","formula_anonymous":"AB2C2D2E4F11","energy":-275.02031665,"energy_per_atom":-6.250461742045454,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-256.21031665,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":5.9713327,"is_theoretical":true,"updated_at":"2021-11-28T01:36:04.090000Z","spacegroup":11},{"id":"mp-1181788","created_at":"2022-09-04T14:43:06.760403Z","structure_string":"Fe4 S4 O32\n1.0\n8.490000 -0.609603 -0.024434\n-2.228989 12.126473 -1.146542\n0.015275 -0.011447 6.454333\nFe S O\n4 4 32\ndirect\n0.099387 0.070824 0.844463 Fe\n0.900613 0.929176 0.155537 Fe\n0.098487 0.728075 0.732564 Fe\n0.901513 0.271925 0.267436 Fe\n0.180285 0.356308 0.937983 S\n0.819715 0.643692 0.062017 S\n0.778257 0.066965 0.556012 S\n0.221743 0.933035 0.443988 S\n0.994235 0.648814 0.977449 O\n0.005765 0.351186 0.022551 O\n0.702451 0.584637 0.899862 O\n0.297549 0.415363 0.100138 O\n0.201092 0.241727 0.875393 O\n0.798908 0.758273 0.124607 O\n0.181544 0.412529 0.747895 O\n0.818456 0.587471 0.252105 O\n0.188921 0.031471 0.577291 O\n0.811079 0.968529 0.422709 O\n0.247449 0.844164 0.580521 O\n0.752551 0.155836 0.419479 O\n0.631235 0.032056 0.668176 O\n0.368765 0.967944 0.331824 O\n0.925376 0.119612 0.690481 O\n0.074624 0.880388 0.309519 O\n0.946456 0.920732 0.871309 O\n0.053544 0.079268 0.128691 O\n0.505981 0.289653 0.543774 O\n0.494019 0.710347 0.456226 O\n0.155619 0.619063 0.615421 O\n0.844381 0.380937 0.384579 O\n0.204853 0.797962 0.948871 O\n0.795147 0.202038 0.051129 O\n0.648777 0.331371 0.631525 O\n0.351223 0.668629 0.368475 O\n0.255957 0.034923 0.980009 O\n0.744043 0.965077 0.019991 O\n0.506335 0.737259 0.650705 O\n0.493665 0.262741 0.349295 O\n0.931729 0.752247 0.648715 O\n0.068271 0.247753 0.351285 O\n","nsites":40,"nelements":3,"elements":["Fe","S","O"],"chemical_system":"Fe-O-S","density":2.1873224895718493,"density_atomic":0.061009942902104236,"volume":655.6308381436036,"volume_molar":9.870752984743895,"formula_full":"Fe4 S4 O32","formula_reduced":"FeSO8","formula_anonymous":"ABC8","energy":-219.66519197,"energy_per_atom":-5.49162979925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-210.64119197,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":9.9998704,"is_theoretical":true,"updated_at":"2021-11-28T01:35:56.697000Z","spacegroup":2}]}