{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=10233","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=energy_above_hull&page=10231","results":[{"id":"mp-1219919","created_at":"2022-09-04T14:42:23.065661Z","structure_string":"Pr2 Cd1 Sb4\n1.0\n4.404663 0.000000 0.000000\n0.000000 4.404663 0.000000\n0.000000 0.000000 10.862510\nPr Cd Sb\n2 1 4\ndirect\n0.500000 0.000000 0.764366 Pr\n0.000000 0.500000 0.235634 Pr\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.328235 Sb\n0.000000 0.500000 0.671765 Sb\n","nsites":7,"nelements":3,"elements":["Pr","Cd","Sb"],"chemical_system":"Cd-Pr-Sb","density":6.943855881914449,"density_atomic":0.03321562879091784,"volume":210.7441663700797,"volume_molar":18.1304433461354,"formula_full":"Pr2 Cd1 Sb4","formula_reduced":"Pr2CdSb4","formula_anonymous":"AB2C4","energy":-32.72958671,"energy_per_atom":-4.675655244285714,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-31.96158671,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.14e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.738000Z","spacegroup":115},{"id":"mp-758878","created_at":"2022-09-04T14:42:23.068471Z","structure_string":"Li3 Fe8 O3 F13\n1.0\n3.125663 5.483190 0.000000\n-3.125663 5.483190 0.000000\n0.000000 3.712720 9.769048\nLi Fe O F\n3 8 3 13\ndirect\n0.009231 0.009231 0.989450 Li\n0.186105 0.186105 0.429980 Li\n0.806814 0.806814 0.571841 Li\n0.518745 0.001447 0.991567 Fe\n0.001447 0.518745 0.991567 Fe\n0.262539 0.741730 0.249724 Fe\n0.744497 0.744497 0.265578 Fe\n0.741730 0.262539 0.249724 Fe\n0.239295 0.751515 0.752803 Fe\n0.751515 0.239295 0.752803 Fe\n0.263711 0.263711 0.733682 Fe\n0.643786 0.643786 0.123519 O\n0.896222 0.896222 0.877509 O\n0.360007 0.360007 0.880771 O\n0.101151 0.665826 0.134591 F\n0.117050 0.117050 0.121570 F\n0.665826 0.101151 0.134591 F\n0.370587 0.871522 0.365008 F\n0.881671 0.881671 0.367728 F\n0.378682 0.378682 0.363171 F\n0.871522 0.370587 0.365008 F\n0.615848 0.615848 0.650798 F\n0.117294 0.631765 0.630440 F\n0.126224 0.126224 0.627014 F\n0.631765 0.117294 0.630440 F\n0.345751 0.914398 0.870515 F\n0.914398 0.345751 0.870515 F\n","nsites":27,"nelements":4,"elements":["Li","Fe","O","F"],"chemical_system":"F-Fe-Li-O","density":3.7815137475771086,"density_atomic":0.08063174860140357,"volume":334.85569230889786,"volume_molar":7.4686967161904905,"formula_full":"Li3 Fe8 O3 F13","formula_reduced":"Li3Fe8O3F13","formula_anonymous":"A3B3C8D13","energy":-178.03539162,"energy_per_atom":-6.593903393333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-151.92039162,"band_gap":2.2396000000000003,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":32.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.171000Z","spacegroup":8},{"id":"mp-1229170","created_at":"2022-09-04T14:42:23.069832Z","structure_string":"Cs4 K2 Si2 F14\n1.0\n5.784558 -5.861940 0.000000\n5.784558 5.861940 0.000000\n0.000000 0.000000 6.067464\nCs K Si F\n4 2 2 14\ndirect\n0.000000 0.500000 0.000000 Cs\n0.500000 0.000000 0.000000 Cs\n0.694373 0.305627 0.500000 Cs\n0.305627 0.694373 0.500000 Cs\n0.195644 0.195644 0.500000 K\n0.804356 0.804356 0.500000 K\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.897060 0.102940 0.796492 F\n0.102940 0.897060 0.796492 F\n0.394219 0.394219 0.798009 F\n0.605781 0.605781 0.798009 F\n0.102940 0.897060 0.203508 F\n0.897060 0.102940 0.203508 F\n0.605781 0.605781 0.201991 F\n0.394219 0.394219 0.201991 F\n0.646604 0.353396 0.000000 F\n0.353396 0.646604 0.000000 F\n0.148635 0.148635 0.000000 F\n0.851365 0.851365 0.000000 F\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n","nsites":22,"nelements":4,"elements":["Cs","K","Si","F"],"chemical_system":"Cs-F-K-Si","density":3.7609789597991665,"density_atomic":0.053465536372538015,"volume":411.48002045108177,"volume_molar":11.263593650382244,"formula_full":"Cs4 K2 Si2 F14","formula_reduced":"Cs2KSiF7","formula_anonymous":"ABC2D7","energy":-116.44097699,"energy_per_atom":-5.292771681363636,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-109.97297699,"band_gap":5.4636,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0003704,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.664000Z","spacegroup":65},{"id":"mp-760071","created_at":"2022-09-04T14:42:23.070136Z","structure_string":"Li10 V6 P16 O58\n1.0\n9.779379 0.000000 0.000000\n4.889256 8.490511 0.000000\n0.052105 0.034237 13.985603\nLi V P O\n10 6 16 58\ndirect\n0.226134 0.095345 0.555270 Li\n0.093969 0.675395 0.559833 Li\n0.234875 0.661533 0.060970 Li\n0.667030 0.095899 0.061241 Li\n0.320864 0.774105 0.438174 Li\n0.687054 0.226350 0.559294 Li\n0.330761 0.906272 0.940637 Li\n0.765624 0.336704 0.942447 Li\n0.771310 0.906666 0.439063 Li\n0.000223 0.998622 0.004464 Li\n0.432938 0.565928 0.252437 V\n0.568805 0.432432 0.747277 V\n0.433467 0.003245 0.750269 V\n0.567016 0.999532 0.248444 V\n0.002377 0.429385 0.247432 V\n0.995343 0.566268 0.756129 V\n0.082518 0.224264 0.843541 P\n0.228993 0.089151 0.338298 P\n0.084825 0.680974 0.343933 P\n0.332387 0.335747 0.127143 P\n0.330655 0.336011 0.629474 P\n0.228175 0.683688 0.840830 P\n0.319471 0.770088 0.657704 P\n0.685386 0.088745 0.843532 P\n0.314930 0.910045 0.156179 P\n0.681005 0.229721 0.343205 P\n0.773105 0.314473 0.159961 P\n0.669654 0.666803 0.370322 P\n0.664409 0.665332 0.872617 P\n0.917060 0.315140 0.655365 P\n0.770429 0.910874 0.660536 P\n0.916877 0.773959 0.158242 P\n0.009659 0.235117 0.568602 O\n0.084127 0.256060 0.334878 O\n0.226969 0.982989 0.065531 O\n0.252044 0.084532 0.841909 O\n0.084305 0.382697 0.829834 O\n0.186930 0.331167 0.175550 O\n0.094990 0.522224 0.323479 O\n0.008757 0.787085 0.075876 O\n0.083439 0.658630 0.834466 O\n0.326982 0.185731 0.670055 O\n0.380862 0.097046 0.321390 O\n0.183598 0.485633 0.674151 O\n0.326026 0.338753 0.020550 O\n0.325810 0.340943 0.522793 O\n0.322369 0.489800 0.167302 O\n0.527954 0.091258 0.830740 O\n0.487264 0.189424 0.165516 O\n0.250314 0.664982 0.343792 O\n0.207985 0.793110 0.748852 O\n0.243942 0.754737 0.567945 O\n0.220467 0.774164 0.929822 O\n0.381127 0.528285 0.828987 O\n0.486290 0.326576 0.667875 O\n0.340363 0.740116 0.164216 O\n0.520275 0.379958 0.321816 O\n0.661859 0.081951 0.339414 O\n0.206687 0.998790 0.248775 O\n0.240071 0.001041 0.429107 O\n0.760403 0.998190 0.569897 O\n0.337141 0.917260 0.657124 O\n0.479842 0.619918 0.677052 O\n0.660278 0.258378 0.835943 O\n0.514551 0.672127 0.333522 O\n0.619837 0.470396 0.169982 O\n0.780936 0.222825 0.070783 O\n0.752438 0.240675 0.434085 O\n0.792586 0.206379 0.251843 O\n0.749092 0.337034 0.656624 O\n0.511135 0.813192 0.833075 O\n0.471047 0.908064 0.169028 O\n0.676718 0.510827 0.832726 O\n0.671848 0.663119 0.978998 O\n0.675306 0.665178 0.476910 O\n0.815424 0.522979 0.320151 O\n0.622039 0.898151 0.678177 O\n0.673343 0.816119 0.330453 O\n0.917451 0.339303 0.164495 O\n0.000924 0.206647 0.748311 O\n0.991689 0.219133 0.928117 O\n0.908561 0.475337 0.677728 O\n0.811676 0.670446 0.824917 O\n0.918143 0.616960 0.168686 O\n0.745523 0.915580 0.158354 O\n0.770639 0.015327 0.934708 O\n0.793983 0.999032 0.751176 O\n0.919077 0.743849 0.661811 O\n0.997077 0.755575 0.435267 O\n0.991521 0.796698 0.256472 O\n","nsites":90,"nelements":4,"elements":["Li","V","P","O"],"chemical_system":"Li-O-P-V","density":2.5719258558424776,"density_atomic":0.07750258835222185,"volume":1161.2515389935345,"volume_molar":7.770244695095215,"formula_full":"Li10 V6 P16 O58","formula_reduced":"Li5V3P8O29","formula_anonymous":"A3B5C8D29","energy":-682.74561108,"energy_per_atom":-7.586062345333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-632.69961108,"band_gap":0.9372,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0005475,"is_theoretical":true,"updated_at":"2021-11-28T01:35:41.508000Z","spacegroup":1},{"id":"mp-1179315","created_at":"2022-09-04T14:42:23.076420Z","structure_string":"Sr24 Te24 O72\n1.0\n5.992505 0.000000 0.000000\n2.992470 14.295097 0.000000\n2.991971 2.568590 26.509603\nSr Te O\n24 24 72\ndirect\n0.724816 0.561608 0.554873 Sr\n0.844646 0.937830 0.944912 Sr\n0.048617 0.327890 0.076465 Sr\n0.868396 0.347454 0.361803 Sr\n0.084684 0.540314 0.790219 Sr\n0.578457 0.154486 0.137506 Sr\n0.425897 0.847264 0.861199 Sr\n0.667624 0.443236 0.697700 Sr\n0.414149 0.961085 0.709950 Sr\n0.952066 0.673210 0.922717 Sr\n0.129721 0.651344 0.637734 Sr\n0.786996 0.751647 0.250108 Sr\n0.500907 0.499824 0.999711 Sr\n0.334200 0.557379 0.301779 Sr\n0.451528 0.171980 0.422803 Sr\n0.193976 0.943204 0.197688 Sr\n0.546526 0.826152 0.576868 Sr\n0.273733 0.436653 0.444146 Sr\n0.000947 0.998977 0.499218 Sr\n0.915962 0.461610 0.209889 Sr\n0.211105 0.250450 0.750582 Sr\n0.586039 0.038993 0.289417 Sr\n0.803296 0.057434 0.802870 Sr\n0.157959 0.063749 0.054802 Sr\n0.255576 0.404058 0.615583 Te\n0.568598 0.685193 0.707331 Te\n0.861217 0.295905 0.499485 Te\n0.275345 0.094236 0.885365 Te\n0.657473 0.205538 0.999909 Te\n0.143699 0.841420 0.326921 Te\n0.138846 0.703225 0.500039 Te\n0.599024 0.884060 0.426144 Te\n0.964396 0.814437 0.792223 Te\n0.406714 0.113741 0.573144 Te\n0.723638 0.906705 0.115532 Te\n0.465045 0.414245 0.139567 Te\n0.036609 0.185426 0.207315 Te\n0.344744 0.796845 0.999347 Te\n0.908919 0.614645 0.072440 Te\n0.745474 0.593794 0.383827 Te\n0.016020 0.086090 0.360079 Te\n0.430917 0.315161 0.292231 Te\n0.536897 0.585937 0.860622 Te\n0.090481 0.385214 0.926360 Te\n0.685265 0.340998 0.826927 Te\n0.311172 0.660677 0.172832 Te\n0.983466 0.912455 0.639016 Te\n0.854329 0.158253 0.673980 Te\n0.180408 0.895091 0.786428 O\n0.917914 0.699800 0.556557 O\n0.254536 0.663548 0.843705 O\n0.283326 0.898919 0.443573 O\n0.560569 0.673469 0.637791 O\n0.267797 0.337429 0.174056 O\n0.859152 0.604358 0.713657 O\n0.398413 0.695994 0.535490 O\n0.610196 0.000377 0.386919 O\n0.773238 0.077914 0.990516 O\n0.081508 0.297181 0.442797 O\n0.768287 0.831975 0.654922 O\n0.537776 0.997632 0.889016 O\n0.319674 0.365258 0.682370 O\n0.991003 0.497807 0.111552 O\n0.837096 0.219758 0.812472 O\n0.400255 0.997175 0.612465 O\n0.872478 0.280406 0.686585 O\n0.966652 0.483813 0.624266 O\n0.088265 0.879846 0.573294 O\n0.442582 0.324962 0.361903 O\n0.464282 0.004309 0.110602 O\n0.776363 0.164241 0.326163 O\n0.073932 0.015815 0.875409 O\n0.702971 0.901172 0.487875 O\n0.818849 0.105492 0.212627 O\n0.999660 0.502575 0.888393 O\n0.093126 0.597052 0.010926 O\n0.822931 0.201804 0.056851 O\n0.382069 0.592416 0.726367 O\n0.912362 0.119473 0.425752 O\n0.364941 0.136126 0.818918 O\n0.733348 0.664440 0.827498 O\n0.721538 0.099467 0.554810 O\n0.625084 0.601884 0.054254 O\n0.372966 0.399977 0.944385 O\n0.873666 0.825452 0.861791 O\n0.231080 0.925060 0.007829 O\n0.032589 0.512975 0.374796 O\n0.140736 0.396486 0.286816 O\n0.572104 0.498456 0.387964 O\n0.425445 0.500715 0.610442 O\n0.632539 0.868550 0.182528 O\n0.115204 0.595623 0.218218 O\n0.293943 0.091673 0.226840 O\n0.458397 0.380394 0.074070 O\n0.566562 0.630115 0.211670 O\n0.181210 0.799836 0.942180 O\n0.906308 0.399581 0.988082 O\n0.368387 0.198051 0.034645 O\n0.070989 0.094953 0.719600 O\n0.432394 0.371976 0.787269 O\n0.407927 0.871634 0.287991 O\n0.599912 0.304012 0.464502 O\n0.617440 0.407955 0.272945 O\n0.746410 0.334839 0.155302 O\n0.845291 0.423734 0.507759 O\n0.683545 0.634384 0.317092 O\n0.929459 0.904485 0.280647 O\n0.163079 0.575507 0.490665 O\n0.536481 0.620356 0.926210 O\n0.226100 0.835957 0.672707 O\n0.128395 0.719337 0.313546 O\n0.884003 0.405484 0.781919 O\n0.158896 0.781423 0.188032 O\n0.929107 0.984450 0.123804 O\n0.591790 0.128538 0.713894 O\n0.128127 0.175372 0.137678 O\n0.703285 0.906778 0.773135 O\n0.237014 0.164200 0.344404 O\n0.297918 0.097141 0.511861 O\n0.636250 0.802898 0.965552 O\n","nsites":120,"nelements":3,"elements":["Sr","Te","O"],"chemical_system":"O-Sr-Te","density":4.619314360035913,"density_atomic":0.05284239710711294,"volume":2270.903792588304,"volume_molar":11.396418576153842,"formula_full":"Sr24 Te24 O72","formula_reduced":"SrTeO3","formula_anonymous":"ABC3","energy":-757.64910553,"energy_per_atom":-6.313742546083334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-708.18510553,"band_gap":3.2315000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0298005,"is_theoretical":true,"updated_at":"2021-11-28T01:35:48.436000Z","spacegroup":1},{"id":"mp-1245524","created_at":"2022-09-04T14:42:23.555215Z","structure_string":"Ca2 Cr2 N4\n1.0\n3.692760 0.000000 0.000000\n0.000000 3.692760 0.000000\n0.000000 0.000000 7.350093\nCa Cr N\n2 2 4\ndirect\n0.750000 0.750000 0.159254 Ca\n0.250000 0.250000 0.840746 Ca\n0.750000 0.750000 0.592923 Cr\n0.250000 0.250000 0.407077 Cr\n0.750000 0.250000 0.500000 N\n0.250000 0.750000 0.500000 N\n0.750000 0.750000 0.834940 N\n0.250000 0.250000 0.165060 N\n","nsites":8,"nelements":3,"elements":["Ca","Cr","N"],"chemical_system":"Ca-Cr-N","density":3.9790729091791426,"density_atomic":0.07981692403176162,"volume":100.22936986166684,"volume_molar":7.544942169913243,"formula_full":"Ca2 Cr2 N4","formula_reduced":"CaCrN2","formula_anonymous":"ABC2","energy":-64.28064863,"energy_per_atom":-8.03508107875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-62.83664863,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.7510711,"is_theoretical":true,"updated_at":"2021-11-28T01:35:45.939000Z","spacegroup":129},{"id":"mp-1193946","created_at":"2022-09-04T14:42:23.078851Z","structure_string":"Mn4 Nb8 S16\n1.0\n3.360848 0.000000 0.000000\n0.000000 10.906816 0.000000\n0.000000 0.000000 13.121112\nMn Nb S\n4 8 16\ndirect\n0.250000 0.252195 0.339126 Mn\n0.250000 0.752195 0.160874 Mn\n0.750000 0.747805 0.660874 Mn\n0.750000 0.247805 0.839126 Mn\n0.250000 0.041662 0.583133 Nb\n0.250000 0.541662 0.916867 Nb\n0.750000 0.958338 0.416867 Nb\n0.750000 0.458338 0.083133 Nb\n0.250000 0.114367 0.101933 Nb\n0.250000 0.614367 0.398067 Nb\n0.750000 0.885633 0.898067 Nb\n0.750000 0.385633 0.601933 Nb\n0.250000 0.325294 0.991922 S\n0.250000 0.825294 0.508078 S\n0.750000 0.674706 0.008078 S\n0.750000 0.174706 0.491922 S\n0.250000 0.243755 0.689678 S\n0.250000 0.743755 0.810322 S\n0.750000 0.756245 0.310322 S\n0.750000 0.256245 0.189678 S\n0.250000 0.061085 0.912963 S\n0.250000 0.561085 0.587037 S\n0.750000 0.938915 0.087037 S\n0.750000 0.438915 0.412963 S\n0.250000 0.032198 0.288602 S\n0.250000 0.532198 0.211398 S\n0.750000 0.967802 0.711398 S\n0.750000 0.467802 0.788602 S\n","nsites":28,"nelements":3,"elements":["Mn","Nb","S"],"chemical_system":"Mn-Nb-S","density":5.096014691083806,"density_atomic":0.05821575456777754,"volume":480.969459348003,"volume_molar":10.344520662338471,"formula_full":"Mn4 Nb8 S16","formula_reduced":"Mn(NbS2)2","formula_anonymous":"AB2C4","energy":-211.58646678,"energy_per_atom":-7.556659527857143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-203.53846678,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.4912269,"is_theoretical":false,"updated_at":"2021-11-28T01:35:44.334000Z","spacegroup":62},{"id":"mp-1205696","created_at":"2022-09-04T14:42:23.083204Z","structure_string":"Cs2 Na1 Cr1 Cl6\n1.0\n0.000000 5.235282 5.235282\n5.235282 0.000000 5.235282\n5.235282 5.235282 0.000000\nCs Na Cr Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Cr\n0.772232 0.227768 0.227768 Cl\n0.227768 0.772232 0.772232 Cl\n0.227768 0.772232 0.227768 Cl\n0.772232 0.227768 0.772232 Cl\n0.227768 0.227768 0.772232 Cl\n0.772232 0.772232 0.227768 Cl\n","nsites":10,"nelements":4,"elements":["Cs","Na","Cr","Cl"],"chemical_system":"Cl-Cr-Cs-Na","density":3.202787155781387,"density_atomic":0.034845745806884355,"volume":286.9790778885936,"volume_molar":17.282284022201143,"formula_full":"Cs2 Na1 Cr1 Cl6","formula_reduced":"Cs2NaCrCl6","formula_anonymous":"ABC2D6","energy":-43.96799277,"energy_per_atom":-4.396799277,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-40.28399277,"band_gap":1.3532,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":2.9997642,"is_theoretical":true,"updated_at":"2021-11-28T01:35:51.271000Z","spacegroup":225},{"id":"mp-1026385","created_at":"2022-09-04T14:42:23.086477Z","structure_string":"Mg14 Ti1 W1\n1.0\n6.262560 0.000000 0.000000\n-3.131280 5.423536 -0.000000\n-0.000000 0.000000 9.991215\nMg Ti W\n14 1 1\ndirect\n0.170271 0.835135 0.125000 Mg\n0.168091 0.834045 0.625000 Mg\n0.664865 0.329729 0.125000 Mg\n0.665955 0.331909 0.625000 Mg\n0.664865 0.835135 0.125000 Mg\n0.665955 0.834045 0.625000 Mg\n0.325948 0.174052 0.380508 Mg\n0.325948 0.174052 0.869492 Mg\n0.325948 0.651896 0.380508 Mg\n0.325948 0.651896 0.869492 Mg\n0.848104 0.174052 0.380508 Mg\n0.848104 0.174052 0.869492 Mg\n0.833333 0.666667 0.373251 Mg\n0.833333 0.666667 0.876749 Mg\n0.166667 0.333333 0.125000 Ti\n0.166667 0.333333 0.625000 W\n","nsites":16,"nelements":3,"elements":["Mg","Ti","W"],"chemical_system":"Mg-Ti-W","density":2.79881975991422,"density_atomic":0.04714843166602161,"volume":339.3538116673072,"volume_molar":12.772727633144088,"formula_full":"Mg14 Ti1 W1","formula_reduced":"Mg14TiW","formula_anonymous":"ABC14","energy":-39.95131321,"energy_per_atom":-2.496957075625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.95131321,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.4331242,"is_theoretical":true,"updated_at":"2021-11-28T01:35:47.039000Z","spacegroup":187},{"id":"mp-703574","created_at":"2022-09-04T14:42:23.090718Z","structure_string":"Ca8 H16 S16 O64\n1.0\n6.998369 0.000000 0.000000\n0.000000 12.805767 0.000000\n0.000000 0.000000 14.249098\nCa H S O\n8 16 16 64\ndirect\n0.651743 0.436596 0.312208 Ca\n0.848257 0.936596 0.687792 Ca\n0.151743 0.563404 0.187792 Ca\n0.348257 0.063404 0.812208 Ca\n0.348257 0.563404 0.687792 Ca\n0.151743 0.063404 0.312208 Ca\n0.848257 0.436596 0.812208 Ca\n0.651743 0.936596 0.187792 Ca\n0.671223 0.172321 0.476577 H\n0.828777 0.672321 0.523423 H\n0.171223 0.827679 0.023423 H\n0.328777 0.327679 0.976577 H\n0.328777 0.827679 0.523423 H\n0.171223 0.327679 0.476577 H\n0.828777 0.172321 0.976577 H\n0.671223 0.672321 0.023423 H\n0.581401 0.322441 0.118674 H\n0.918599 0.822441 0.881326 H\n0.081401 0.677559 0.381326 H\n0.418599 0.177559 0.618674 H\n0.418599 0.677559 0.881326 H\n0.081401 0.177559 0.118674 H\n0.918599 0.322441 0.618674 H\n0.581401 0.822441 0.381326 H\n0.662164 0.140014 0.326068 S\n0.837836 0.640014 0.673932 S\n0.162164 0.859986 0.173932 S\n0.337836 0.359986 0.826068 S\n0.337836 0.859986 0.673932 S\n0.162164 0.359986 0.326068 S\n0.837836 0.140014 0.826068 S\n0.662164 0.640014 0.173932 S\n0.864576 0.356443 0.065341 S\n0.635424 0.856443 0.934659 S\n0.364576 0.643557 0.434659 S\n0.135424 0.143557 0.565341 S\n0.135424 0.643557 0.934659 S\n0.364576 0.143557 0.065341 S\n0.635424 0.356443 0.565341 S\n0.864576 0.856443 0.434659 S\n0.629004 0.250183 0.308886 O\n0.870996 0.750183 0.691114 O\n0.129004 0.749817 0.191114 O\n0.370996 0.249817 0.808886 O\n0.370996 0.749817 0.691114 O\n0.129004 0.249817 0.308886 O\n0.870996 0.250183 0.808886 O\n0.629004 0.750183 0.191114 O\n0.988825 0.423997 0.315628 O\n0.511175 0.923997 0.684372 O\n0.488825 0.576003 0.184372 O\n0.011175 0.076003 0.815628 O\n0.011175 0.576003 0.684372 O\n0.488825 0.076003 0.315628 O\n0.511175 0.423997 0.815628 O\n0.988825 0.923997 0.184372 O\n0.815035 0.092574 0.268113 O\n0.684965 0.592574 0.731887 O\n0.315035 0.907426 0.231887 O\n0.184965 0.407426 0.768113 O\n0.184965 0.907426 0.731887 O\n0.315035 0.407426 0.268113 O\n0.684965 0.092574 0.768113 O\n0.815035 0.592574 0.231887 O\n0.739799 0.126723 0.428603 O\n0.760201 0.626723 0.571397 O\n0.239799 0.873277 0.071397 O\n0.260201 0.373277 0.928603 O\n0.260201 0.873277 0.571397 O\n0.239799 0.373277 0.428603 O\n0.760201 0.126723 0.928603 O\n0.739799 0.626723 0.071397 O\n0.693007 0.367430 0.139468 O\n0.806993 0.867430 0.860532 O\n0.193007 0.632570 0.360532 O\n0.306993 0.132570 0.639468 O\n0.306993 0.632570 0.860532 O\n0.193007 0.132570 0.139468 O\n0.806993 0.367430 0.639468 O\n0.693007 0.867430 0.360532 O\n0.515579 0.081211 0.106376 O\n0.984421 0.581211 0.893624 O\n0.015579 0.918789 0.393624 O\n0.484421 0.418789 0.606376 O\n0.484421 0.918789 0.893624 O\n0.015579 0.418789 0.106376 O\n0.984421 0.081211 0.606376 O\n0.515579 0.581211 0.393624 O\n0.708672 0.391926 0.475239 O\n0.791328 0.891926 0.524761 O\n0.208672 0.608074 0.024761 O\n0.291328 0.108074 0.975239 O\n0.291328 0.608074 0.524761 O\n0.208672 0.108074 0.475239 O\n0.791328 0.391926 0.975239 O\n0.708672 0.891926 0.024761 O\n0.914246 0.243569 0.061600 O\n0.585754 0.743569 0.938400 O\n0.414246 0.756431 0.438400 O\n0.085754 0.256431 0.561600 O\n0.085754 0.756431 0.938400 O\n0.414246 0.256431 0.061600 O\n0.585754 0.243569 0.561600 O\n0.914246 0.743569 0.438400 O\n","nsites":104,"nelements":4,"elements":["Ca","H","S","O"],"chemical_system":"Ca-H-O-S","density":2.4365287969553586,"density_atomic":0.08144108158040818,"volume":1276.9967930413475,"volume_molar":7.394475420926523,"formula_full":"Ca8 H16 S16 O64","formula_reduced":"CaH2(SO4)2","formula_anonymous":"AB2C2D8","energy":-668.15432514,"energy_per_atom":-6.424560818653846,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-624.18632514,"band_gap":5.836,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:40.443000Z","spacegroup":61},{"id":"mp-1221678","created_at":"2022-09-04T14:42:23.099067Z","structure_string":"Mn1 Cd4 S5\n1.0\n16.979214 -2.082410 0.000000\n16.979214 2.082410 0.000000\n16.723818 0.000000 3.597786\nMn Cd S\n1 4 5\ndirect\n0.400446 0.400446 0.400446 Mn\n0.001323 0.001323 0.001323 Cd\n0.600189 0.600189 0.600189 Cd\n0.199739 0.199739 0.199739 Cd\n0.798144 0.798144 0.798144 Cd\n0.950804 0.950804 0.950804 S\n0.550019 0.550019 0.550019 S\n0.149321 0.149321 0.149321 S\n0.747247 0.747247 0.747247 S\n0.352768 0.352768 0.352768 S\n","nsites":10,"nelements":3,"elements":["Mn","Cd","S"],"chemical_system":"Cd-Mn-S","density":4.339711771322543,"density_atomic":0.039305276354478634,"volume":254.418768356034,"volume_molar":15.321456350258709,"formula_full":"Mn1 Cd4 S5","formula_reduced":"MnCd4S5","formula_anonymous":"AB4C5","energy":-42.02971346,"energy_per_atom":-4.202971346,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-39.51471346,"band_gap":0.3116999999999996,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":5.0017366,"is_theoretical":true,"updated_at":"2021-11-28T01:35:46.279000Z","spacegroup":160},{"id":"mp-2988","created_at":"2022-09-04T14:42:23.108449Z","structure_string":"Li2 Ga1 Rh1\n1.0\n0.000000 3.003728 3.003728\n3.003728 0.000000 3.003728\n3.003728 3.003728 0.000000\nLi Ga Rh\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Rh\n","nsites":4,"nelements":3,"elements":["Li","Ga","Rh"],"chemical_system":"Ga-Li-Rh","density":5.714004516208291,"density_atomic":0.07379861082732303,"volume":54.201562267335376,"volume_molar":8.160235934644959,"formula_full":"Li2 Ga1 Rh1","formula_reduced":"Li2GaRh","formula_anonymous":"ABC2","energy":-16.15866979,"energy_per_atom":-4.0396674475,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-16.15866979,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005062,"is_theoretical":false,"updated_at":"2021-11-28T01:35:49.993000Z","spacegroup":216}]}