{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=42","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=total_magnetization&page=40","results":[{"id":"mp-1519625","created_at":"2022-09-04T14:45:01.412228Z","structure_string":"Ba1 Na1 Ce1 Bi1 O6\n1.0\n0.000000 -4.346051 -4.346051\n4.346051 0.000000 -4.346051\n4.346051 -4.346051 0.000000\nBa Na Ce Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Bi\n0.754818 0.245182 0.245182 O\n0.245182 0.754818 0.754818 O\n0.754818 0.245182 0.754818 O\n0.245182 0.754818 0.245182 O\n0.754818 0.754818 0.245182 O\n0.245182 0.245182 0.754818 O\n","nsites":10,"nelements":5,"elements":["Ba","Na","Ce","Bi","O"],"chemical_system":"Ba-Bi-Ce-Na-O","density":6.123277307359187,"density_atomic":0.060909572199245206,"volume":164.17780718091993,"volume_molar":9.887018645116385,"formula_full":"Ba1 Na1 Ce1 Bi1 O6","formula_reduced":"BaNaCeBiO6","formula_anonymous":"ABCDE6","energy":-68.38577832,"energy_per_atom":-6.838577832,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.26377832,"band_gap":1.6438,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:49.194000Z","spacegroup":216},{"id":"mp-1191084","created_at":"2022-09-04T14:43:17.387263Z","structure_string":"Na4 Mn2 P2 H2 O6 F8\n1.0\n-5.519536 0.000279 1.941166\n-0.053369 -0.000918 -7.048814\n0.000029 -7.973815 -0.001026\nNa Mn P H O F\n4 2 2 2 6 8\ndirect\n0.499984 0.000005 0.500005 Na\n0.499993 0.000025 0.000001 Na\n0.480946 0.459093 0.749951 Na\n0.519100 0.540906 0.250044 Na\n0.999937 0.499957 0.000045 Mn\n0.000031 0.500044 0.499992 Mn\n0.955906 0.881092 0.749908 P\n0.044102 0.118909 0.250108 P\n0.915252 0.185698 0.749955 H\n0.084737 0.814286 0.250032 H\n0.810256 0.035093 0.749889 O\n0.189727 0.964885 0.250109 O\n0.919873 0.765605 0.588801 O\n0.080089 0.234419 0.088971 O\n0.080100 0.234395 0.411206 O\n0.919964 0.765566 0.911034 O\n0.061448 0.394788 0.749986 F\n0.938553 0.605210 0.250008 F\n0.235695 0.029576 0.749878 F\n0.764294 0.970430 0.250100 F\n0.632483 0.335219 0.517228 F\n0.367520 0.664810 0.017287 F\n0.367575 0.664814 0.482745 F\n0.632437 0.335176 0.982715 F\n","nsites":24,"nelements":6,"elements":["Na","Mn","P","H","O","F"],"chemical_system":"F-H-Mn-Na-O-P","density":2.742764322297403,"density_atomic":0.07715633401796786,"volume":311.05676942104293,"volume_molar":7.805115207518268,"formula_full":"Na4 Mn2 P2 H2 O6 F8","formula_reduced":"Na2MnPHO3F4","formula_anonymous":"ABCD2E3F4","energy":-149.40847355,"energy_per_atom":-6.2253530645833335,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-138.25447355,"band_gap":2.9940999999999995,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:08.708000Z","spacegroup":11},{"id":"mp-28303","created_at":"2022-09-04T14:44:09.086852Z","structure_string":"Na24 Si8 Se32\n1.0\n17.294454 0.000000 0.000000\n0.000000 7.384543 0.000000\n0.000000 2.194123 13.738857\nNa Si Se\n24 8 32\ndirect\n0.948257 0.051061 0.283189 Na\n0.448257 0.948939 0.216811 Na\n0.051743 0.948939 0.716811 Na\n0.551743 0.051061 0.783189 Na\n0.673356 0.576844 0.766128 Na\n0.173356 0.423156 0.733872 Na\n0.326644 0.423156 0.233872 Na\n0.826644 0.576844 0.266128 Na\n0.699885 0.982586 0.285601 Na\n0.199885 0.017414 0.214399 Na\n0.300115 0.017414 0.714399 Na\n0.800115 0.982586 0.785601 Na\n0.608971 0.418844 0.021350 Na\n0.108971 0.581156 0.478650 Na\n0.391029 0.581156 0.978650 Na\n0.891029 0.418844 0.521350 Na\n0.671275 0.295774 0.507528 Na\n0.933168 0.751425 0.003149 Na\n0.566832 0.751425 0.503149 Na\n0.066832 0.248575 0.996851 Na\n0.828725 0.295774 0.007528 Na\n0.328725 0.704226 0.492472 Na\n0.171275 0.704226 0.992472 Na\n0.433168 0.248575 0.496851 Na\n0.025696 0.600985 0.231071 Si\n0.525696 0.399015 0.268929 Si\n0.974304 0.399015 0.768929 Si\n0.474304 0.600985 0.731071 Si\n0.776459 0.885147 0.526904 Si\n0.276459 0.114853 0.973096 Si\n0.223541 0.114853 0.473096 Si\n0.723541 0.885147 0.026904 Si\n0.966365 0.672232 0.364593 Se\n0.107411 0.197729 0.387822 Se\n0.392589 0.197729 0.887822 Se\n0.892589 0.802271 0.612178 Se\n0.066632 0.851896 0.128063 Se\n0.566632 0.148104 0.371937 Se\n0.933368 0.148104 0.871937 Se\n0.433368 0.851896 0.628063 Se\n0.733261 0.665089 0.443290 Se\n0.233261 0.334911 0.056710 Se\n0.266739 0.334911 0.556710 Se\n0.766739 0.665089 0.943290 Se\n0.147940 0.474841 0.281272 Se\n0.647940 0.525159 0.218728 Se\n0.852060 0.525159 0.718728 Se\n0.352060 0.474841 0.781272 Se\n0.607411 0.802271 0.112178 Se\n0.466365 0.327768 0.135407 Se\n0.033635 0.327768 0.635407 Se\n0.533635 0.672232 0.864593 Se\n0.814691 0.942641 0.136129 Se\n0.314691 0.057359 0.363871 Se\n0.185309 0.057359 0.863871 Se\n0.685309 0.942641 0.636129 Se\n0.818604 0.136821 0.424562 Se\n0.318604 0.863179 0.075438 Se\n0.181396 0.863179 0.575438 Se\n0.681396 0.136821 0.924562 Se\n0.456756 0.596297 0.346193 Se\n0.956756 0.403703 0.153807 Se\n0.543244 0.403703 0.653807 Se\n0.043244 0.596297 0.846193 Se\n","nsites":64,"nelements":3,"elements":["Na","Si","Se"],"chemical_system":"Na-Se-Si","density":3.1260608222102606,"density_atomic":0.03647530159201672,"volume":1754.6119485412987,"volume_molar":16.510187708271214,"formula_full":"Na24 Si8 Se32","formula_reduced":"Na3SiSe4","formula_anonymous":"AB3C4","energy":-257.66595323,"energy_per_atom":-4.02603051921875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-242.56195323,"band_gap":1.6285,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:31.896000Z","spacegroup":14},{"id":"mp-568264","created_at":"2022-09-04T14:44:22.259973Z","structure_string":"Si2 Se4\n1.0\n-2.965983 3.298968 5.464126\n2.965983 -3.298968 5.464126\n2.965983 3.298968 -5.464126\nSi Se\n2 4\ndirect\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.303961 0.111806 0.192155 Se\n0.696039 0.888194 0.807845 Se\n0.080349 0.388194 0.692155 Se\n0.919651 0.611806 0.307845 Se\n","nsites":6,"nelements":2,"elements":["Si","Se"],"chemical_system":"Se-Si","density":2.8885335892352537,"density_atomic":0.02805587340757254,"volume":213.85896324940447,"volume_molar":21.464812991259677,"formula_full":"Si2 Se4","formula_reduced":"SiSe2","formula_anonymous":"AB2","energy":-29.42813313,"energy_per_atom":-4.904688855,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-27.54013313,"band_gap":2.167,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:29.028000Z","spacegroup":72},{"id":"mp-1027311","created_at":"2022-09-04T14:44:57.882027Z","structure_string":"Te4 Mo2 W2 Se2 S2\n1.0\n1.699505 -2.943629 0.000000\n1.699505 2.943629 0.000000\n0.000000 0.000000 38.746351\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.000000 0.000000 0.330061 Te\n0.000000 0.000000 0.706139 Te\n0.000000 0.000000 0.233447 Te\n0.000000 0.000000 0.608947 Te\n0.000000 0.000000 0.093980 Mo\n0.333333 0.666667 0.281808 Mo\n0.000000 0.000000 0.469636 W\n0.333333 0.666667 0.657540 W\n0.333333 0.666667 0.426943 Se\n0.333333 0.666667 0.512370 Se\n0.333333 0.666667 0.055148 S\n0.333333 0.666667 0.132729 S\n","nsites":12,"nelements":5,"elements":["Te","Mo","W","Se","S"],"chemical_system":"Mo-S-Se-Te-W","density":5.534120981065783,"density_atomic":0.03095386773387013,"volume":387.6736859888253,"volume_molar":19.455212549772885,"formula_full":"Te4 Mo2 W2 Se2 S2","formula_reduced":"Te2MoWSeS","formula_anonymous":"ABCDE2","energy":-83.72809918,"energy_per_atom":-6.977341598333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.09009918,"band_gap":1.3441999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:46.947000Z","spacegroup":156},{"id":"mp-695601","created_at":"2022-09-04T14:45:08.232588Z","structure_string":"Na7 Al12 Si12 H6 Cl1 O48\n1.0\n9.228429 0.000000 0.000000\n0.003880 9.382949 0.000000\n0.879838 0.044491 18.481528\nNa Al Si H Cl O\n7 12 12 6 1 48\ndirect\n0.729638 0.299238 0.863306 Na\n0.264632 0.297798 0.133895 Na\n0.732383 0.269082 0.362337 Na\n0.190124 0.754485 0.092111 Na\n0.101415 0.788970 0.580931 Na\n0.811303 0.758624 0.910323 Na\n0.891941 0.790000 0.410450 Na\n0.767682 0.012030 0.737766 Al\n0.761762 0.007131 0.231621 Al\n0.236350 0.006411 0.762009 Al\n0.230668 0.013008 0.262957 Al\n0.498481 0.265640 0.998749 Al\n0.506001 0.260104 0.493645 Al\n0.968944 0.500703 0.632428 Al\n0.979122 0.506778 0.123565 Al\n0.017289 0.505031 0.875864 Al\n0.005738 0.508881 0.372047 Al\n0.497275 0.754424 0.999378 Al\n0.490695 0.743765 0.490720 Al\n0.998901 0.262174 0.753892 Si\n0.992725 0.266323 0.249246 Si\n0.748135 0.507702 0.003995 Si\n0.748108 0.501585 0.499631 Si\n0.248146 0.505992 0.994632 Si\n0.253043 0.507045 0.492790 Si\n0.000639 0.756225 0.751128 Si\n0.001927 0.758529 0.245554 Si\n0.516137 0.007608 0.619792 Si\n0.489026 0.007396 0.880040 Si\n0.484644 0.010112 0.376902 Si\n0.507574 0.008524 0.116941 Si\n0.204069 0.446981 0.608316 H\n0.579044 0.776884 0.601065 H\n0.310213 0.902518 0.663839 H\n0.694925 0.927152 0.839477 H\n0.702058 0.932110 0.339484 H\n0.304907 0.927400 0.163638 H\n0.987493 0.969997 0.497833 Cl\n0.358096 0.994233 0.673031 O\n0.645852 0.012021 0.822039 O\n0.355947 0.014160 0.178175 O\n0.639931 0.003236 0.317730 O\n0.493767 0.157734 0.920723 O\n0.497885 0.166688 0.411076 O\n0.501216 0.132614 0.564142 O\n0.502847 0.160299 0.077574 O\n0.137158 0.158288 0.763028 O\n0.847118 0.174259 0.745321 O\n0.139578 0.170765 0.257039 O\n0.846193 0.169379 0.241325 O\n0.027541 0.361025 0.682834 O\n0.965609 0.356392 0.826550 O\n0.028652 0.362095 0.177388 O\n0.958414 0.359312 0.322403 O\n0.366435 0.382455 0.507677 O\n0.651152 0.371083 0.979377 O\n0.345410 0.369303 0.018574 O\n0.671746 0.349672 0.480636 O\n0.177372 0.477607 0.918170 O\n0.153062 0.484775 0.426300 O\n0.832471 0.490091 0.574242 O\n0.819592 0.479110 0.080468 O\n0.148698 0.505545 0.575359 O\n0.129552 0.528308 0.062506 O\n0.867085 0.534266 0.936435 O\n0.855484 0.549049 0.431005 O\n0.339254 0.656657 0.992831 O\n0.318537 0.669281 0.495268 O\n0.629317 0.630704 0.509517 O\n0.656309 0.658187 0.006726 O\n0.015319 0.664457 0.824354 O\n0.973936 0.665699 0.677081 O\n0.021518 0.664403 0.318353 O\n0.985653 0.669480 0.171471 O\n0.146989 0.853551 0.731373 O\n0.145859 0.861716 0.228801 O\n0.859014 0.861998 0.768611 O\n0.860449 0.862891 0.263525 O\n0.539582 0.867781 0.924202 O\n0.507606 0.841236 0.580539 O\n0.452608 0.871168 0.072683 O\n0.523636 0.876413 0.427513 O\n0.352261 0.985839 0.831335 O\n0.344006 0.987186 0.332080 O\n0.653209 0.993371 0.667485 O\n0.652121 0.984360 0.160128 O\n","nsites":86,"nelements":6,"elements":["Na","Al","Si","H","Cl","O"],"chemical_system":"Al-Cl-H-Na-O-Si","density":1.6925930480642768,"density_atomic":0.05373947824953996,"volume":1600.3132669181844,"volume_molar":11.206176457531116,"formula_full":"Na7 Al12 Si12 H6 Cl1 O48","formula_reduced":"Na7Al12Si12H6ClO48","formula_anonymous":"AB6C7D12E12F48","energy":-628.91257283,"energy_per_atom":-7.312936893372093,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-595.32257283,"band_gap":3.6089,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:47.983000Z","spacegroup":1},{"id":"mp-1233620","created_at":"2022-09-04T14:43:41.977581Z","structure_string":"Mg1 Zr2 H10 S6 O28\n1.0\n5.272808 -0.069747 -0.059223\n-0.811558 9.161734 -0.566638\n0.063241 -0.150878 12.662012\nMg Zr H S O\n1 2 10 6 28\ndirect\n0.216170 0.109530 0.429840 Mg\n0.779138 0.885230 0.823862 Zr\n0.237063 0.114214 0.164532 Zr\n0.449657 0.649680 0.553387 H\n0.536582 0.338432 0.455276 H\n0.275470 0.795138 0.530341 H\n0.669722 0.188141 0.473747 H\n0.448034 0.735038 0.434821 H\n0.484853 0.233981 0.614196 H\n0.113815 0.398500 0.827774 H\n0.873196 0.611165 0.180379 H\n0.308532 0.444240 0.916782 H\n0.701287 0.557764 0.085151 H\n0.760174 0.612266 0.699888 S\n0.293285 0.397296 0.289179 S\n0.297820 0.040898 0.676788 S\n0.708747 0.962547 0.327001 S\n0.272043 0.802657 0.995131 S\n0.747961 0.201689 0.996663 S\n0.907759 0.761752 0.681781 O\n0.140440 0.246195 0.317146 O\n0.574868 0.568591 0.611674 O\n0.485436 0.442383 0.372416 O\n0.923399 0.499683 0.714190 O\n0.118504 0.501983 0.271345 O\n0.619918 0.660030 0.800387 O\n0.415629 0.335634 0.188975 O\n0.250148 0.996072 0.561924 O\n0.833086 0.045846 0.425311 O\n0.062488 0.039467 0.736579 O\n0.881671 0.986182 0.237459 O\n0.423530 0.198371 0.686561 O\n0.640837 0.810963 0.345043 O\n0.475054 0.944653 0.719140 O\n0.461289 0.036372 0.308044 O\n0.074050 0.847736 0.917478 O\n0.974734 0.175338 0.067418 O\n0.774377 0.111233 0.896350 O\n0.235735 0.892408 0.096679 O\n0.242833 0.649503 0.005956 O\n0.737225 0.353184 0.985587 O\n0.522100 0.858607 0.950293 O\n0.523727 0.130253 0.053795 O\n0.244039 0.360102 0.869763 O\n0.732350 0.639198 0.138711 O\n0.338039 0.706017 0.496038 O\n0.525687 0.245267 0.496301 O\n","nsites":47,"nelements":5,"elements":["Mg","Zr","H","S","O"],"chemical_system":"H-Mg-O-S-Zr","density":2.3314195853433373,"density_atomic":0.07698111575161057,"volume":610.5393451512384,"volume_molar":7.822880587274428,"formula_full":"Mg1 Zr2 H10 S6 O28","formula_reduced":"MgZr2H10(S3O14)2","formula_anonymous":"AB2C6D10E28","energy":-305.92191282,"energy_per_atom":-6.508976868510638,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-286.68591282,"band_gap":2.1461,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:18.410000Z","spacegroup":1},{"id":"mp-1211726","created_at":"2022-09-04T14:43:21.206703Z","structure_string":"K4 Rb8 Fe4 O10\n1.0\n-0.146803 0.000022 -6.976033\n-6.995434 0.000054 0.159138\n-0.000094 12.035099 -0.000036\nK Rb Fe O\n4 8 4 10\ndirect\n0.499999 0.499979 0.722910 K\n0.500005 0.000022 0.222913 K\n0.499993 0.499980 0.277089 K\n0.500003 0.000019 0.777083 K\n0.000007 0.499984 0.741720 Rb\n0.999991 0.000007 0.241720 Rb\n0.000007 0.499993 0.258282 Rb\n0.999990 0.000002 0.758276 Rb\n0.683734 0.335625 0.999998 Rb\n0.683766 0.835645 0.499999 Rb\n0.316246 0.664351 0.999995 Rb\n0.316260 0.164357 0.500001 Rb\n0.804801 0.302009 0.499992 Fe\n0.195168 0.198026 0.999984 Fe\n0.804797 0.802006 0.000003 Fe\n0.195225 0.697984 0.500006 Fe\n0.000014 0.000010 0.999999 O\n0.999998 0.499999 0.499996 O\n0.712287 0.703677 0.136928 O\n0.712310 0.203675 0.636908 O\n0.287688 0.296327 0.863085 O\n0.287673 0.796336 0.363088 O\n0.287688 0.296347 0.136918 O\n0.287718 0.796302 0.636915 O\n0.712318 0.703672 0.863099 O\n0.712314 0.203665 0.363090 O\n","nsites":26,"nelements":4,"elements":["K","Rb","Fe","O"],"chemical_system":"Fe-K-O-Rb","density":3.457608078049167,"density_atomic":0.04424789688606795,"volume":587.598548851854,"volume_molar":13.610004505990776,"formula_full":"K4 Rb8 Fe4 O10","formula_reduced":"K2Rb4Fe2O5","formula_anonymous":"A2B2C4D5","energy":-133.57074677,"energy_per_atom":-5.137336414230769,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-117.67674677,"band_gap":1.0154999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:07.461000Z","spacegroup":12},{"id":"mp-1033981","created_at":"2022-09-04T14:43:21.872565Z","structure_string":"K1 La1 Mg14 O16\n1.0\n8.796931 0.000000 0.000000\n0.000000 8.796931 -0.000000\n0.000000 -0.000000 4.509588\nK La Mg O\n1 1 14 16\ndirect\n0.000000 0.000000 -0.000000 K\n0.500000 0.500000 -0.000000 La\n0.000000 0.500000 -0.000000 Mg\n0.500000 0.000000 -0.000000 Mg\n0.000000 0.248418 0.500000 Mg\n0.000000 0.751582 0.500000 Mg\n0.500000 0.231293 0.500000 Mg\n0.500000 0.768707 0.500000 Mg\n0.248418 0.000000 0.500000 Mg\n0.231293 0.500000 0.500000 Mg\n0.751582 0.000000 0.500000 Mg\n0.768707 0.500000 0.500000 Mg\n0.239883 0.239883 -0.000000 Mg\n0.239883 0.760117 0.000000 Mg\n0.760117 0.239883 -0.000000 Mg\n0.760117 0.760117 0.000000 Mg\n0.273026 0.000000 0.000000 O\n0.234648 0.500000 -0.000000 O\n0.726974 0.000000 -0.000000 O\n0.765352 0.500000 0.000000 O\n0.252031 0.252031 0.500000 O\n0.252031 0.747969 0.500000 O\n0.747969 0.252031 0.500000 O\n0.747969 0.747969 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.273026 0.000000 O\n0.000000 0.726974 -0.000000 O\n0.500000 0.234648 0.000000 O\n0.500000 0.765352 -0.000000 O\n","nsites":32,"nelements":4,"elements":["K","La","Mg","O"],"chemical_system":"K-La-Mg-O","density":3.684164576567437,"density_atomic":0.09169607389482937,"volume":348.9789545046644,"volume_molar":6.567501207202266,"formula_full":"K1 La1 Mg14 O16","formula_reduced":"KLaMg14O16","formula_anonymous":"ABC14D16","energy":-198.79293504,"energy_per_atom":-6.21227922,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-187.80093504,"band_gap":5.296700000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:14.596000Z","spacegroup":123},{"id":"mp-1112283","created_at":"2022-09-04T14:44:53.644831Z","structure_string":"K2 In1 Ag1 F6\n1.0\n0.000000 4.514403 4.514403\n4.514403 0.000000 4.514403\n4.514403 4.514403 0.000000\nK In Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.232807 0.232807 0.767193 F\n0.232807 0.767193 0.767193 F\n0.767193 0.767193 0.232807 F\n0.232807 0.767193 0.232807 F\n0.767193 0.232807 0.767193 F\n0.767193 0.232807 0.232807 F\n","nsites":10,"nelements":4,"elements":["K","In","Ag","F"],"chemical_system":"Ag-F-In-K","density":3.7439800460611994,"density_atomic":0.05434618048202884,"volume":184.0055715287442,"volume_molar":11.081074523703458,"formula_full":"K2 In1 Ag1 F6","formula_reduced":"K2InAgF6","formula_anonymous":"ABC2D6","energy":-45.30094927,"energy_per_atom":-4.5300949269999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-42.52894927,"band_gap":1.6678000000000002,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:36:43.013000Z","spacegroup":225},{"id":"mp-1203622","created_at":"2022-09-04T14:44:08.655251Z","structure_string":"Li8 Te4 Mo4 O24\n1.0\n13.246263 0.000000 0.000000\n0.000000 5.461342 0.000000\n0.000000 4.903462 7.087049\nLi Te Mo O\n8 4 4 24\ndirect\n0.568889 0.466043 0.734304 Li\n0.931111 0.466043 0.234304 Li\n0.431111 0.533957 0.265696 Li\n0.068889 0.533957 0.765696 Li\n0.353444 0.758526 0.483704 Li\n0.146556 0.758526 0.983704 Li\n0.646556 0.241474 0.516296 Li\n0.853444 0.241474 0.016296 Li\n0.707134 0.685579 0.066303 Te\n0.792866 0.685579 0.566303 Te\n0.292866 0.314421 0.933697 Te\n0.207134 0.314421 0.433697 Te\n0.591236 0.027191 0.253632 Mo\n0.908764 0.027191 0.753632 Mo\n0.408764 0.972809 0.746368 Mo\n0.091236 0.972809 0.246368 Mo\n0.479703 0.804241 0.336837 O\n0.020297 0.804241 0.836837 O\n0.520297 0.195759 0.663163 O\n0.979703 0.195759 0.163163 O\n0.591392 0.188801 0.007434 O\n0.908608 0.188801 0.507434 O\n0.408608 0.811199 0.992566 O\n0.091392 0.811199 0.492566 O\n0.554549 0.337377 0.264027 O\n0.945451 0.337377 0.764027 O\n0.445451 0.662623 0.735973 O\n0.054549 0.662623 0.235973 O\n0.692135 0.693574 0.290209 O\n0.807865 0.693574 0.790209 O\n0.307865 0.306426 0.709791 O\n0.192135 0.306426 0.209791 O\n0.844105 0.833440 0.033175 O\n0.655895 0.833440 0.533175 O\n0.155895 0.166560 0.966825 O\n0.344105 0.166560 0.466825 O\n0.749568 0.283788 0.190662 O\n0.750432 0.283788 0.690662 O\n0.250432 0.716212 0.809338 O\n0.249568 0.716212 0.309338 O\n","nsites":40,"nelements":4,"elements":["Li","Te","Mo","O"],"chemical_system":"Li-Mo-O-Te","density":4.319569530413783,"density_atomic":0.0780192567169312,"volume":512.6939384353232,"volume_molar":7.718787660140725,"formula_full":"Li8 Te4 Mo4 O24","formula_reduced":"Li2TeMoO6","formula_anonymous":"ABC2D6","energy":-270.58796572,"energy_per_atom":-6.764699143,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-241.29196572,"band_gap":3.0987,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:32.625000Z","spacegroup":14},{"id":"mp-1234785","created_at":"2022-09-04T14:46:10.256537Z","structure_string":"Mg1 Al4 Tl4 O12\n1.0\n5.730102 0.275505 0.375365\n0.289397 5.912387 0.228893\n0.616579 0.328088 8.420058\nMg Al Tl O\n1 4 4 12\ndirect\n0.309010 0.257980 0.172293 Mg\n0.828627 0.421557 0.942085 Al\n0.950082 0.529348 0.516173 Al\n0.594883 0.931497 0.913757 Al\n0.624929 0.082111 0.495861 Al\n0.098898 0.982016 0.710944 Tl\n0.397239 0.464318 0.783089 Tl\n0.480599 0.659494 0.361312 Tl\n0.000467 0.880189 0.167472 Tl\n0.180429 0.507256 0.311862 O\n0.352527 0.206941 0.613649 O\n0.118292 0.327461 0.979872 O\n0.321715 0.822214 0.894184 O\n0.198044 0.659882 0.592287 O\n0.452421 0.037999 0.329216 O\n0.731500 0.999680 0.715732 O\n0.608573 0.208385 0.999974 O\n0.778200 0.329892 0.436118 O\n0.726134 0.691018 0.024984 O\n0.777446 0.790749 0.456287 O\n0.807487 0.472513 0.732849 O\n","nsites":21,"nelements":4,"elements":["Mg","Al","Tl","O"],"chemical_system":"Al-Mg-O-Tl","density":6.702626022224581,"density_atomic":0.07424059501123546,"volume":282.864112239697,"volume_molar":8.111654761237592,"formula_full":"Mg1 Al4 Tl4 O12","formula_reduced":"MgAl4Tl4O12","formula_anonymous":"AB4C4D12","energy":-131.73119258,"energy_per_atom":-6.272913932380952,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-123.48719258,"band_gap":1.0541,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:37:21.278000Z","spacegroup":1}]}