{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=spacegroup&page=76","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=spacegroup&page=74","results":[{"id":"mp-1373278","created_at":"2022-09-04T14:39:41.227342Z","structure_string":"Li8 V4 O12 F4\n1.0\n7.146062 0.000000 0.000000\n-2.367132 6.746477 0.000000\n-2.247738 -3.390643 5.881576\nLi V O F\n8 4 12 4\ndirect\n0.252734 0.244669 0.255137 Li\n0.519586 0.249058 0.482527 Li\n0.237719 0.526498 0.476884 Li\n0.262724 0.754338 0.731207 Li\n0.765102 0.297268 0.710190 Li\n0.755291 0.995662 0.510601 Li\n0.459549 0.726072 0.008696 Li\n0.744791 0.496950 0.990524 Li\n0.973040 0.253001 0.019484 V\n0.720559 0.732643 0.274427 V\n0.972929 0.981363 0.755071 V\n0.290269 0.035592 0.970943 V\n0.476377 0.229638 0.999914 O\n0.766514 0.238239 0.237485 O\n0.527928 0.530172 0.245926 O\n0.011059 0.221357 0.540852 O\n0.999493 0.000873 0.219197 O\n0.533241 0.755860 0.474007 O\n0.233975 0.221098 0.780861 O\n0.005790 0.462487 0.784567 O\n0.773248 0.996690 0.008536 O\n0.483284 0.004091 0.764281 O\n0.759239 0.770494 0.770005 O\n0.002794 0.784001 0.984206 O\n0.234565 0.470574 0.010139 F\n0.245020 0.762166 0.216348 F\n0.754567 0.509596 0.467988 F\n0.245976 0.007580 0.524619 F\n","nsites":28,"nelements":4,"elements":["Li","V","O","F"],"chemical_system":"F-Li-O-V","density":3.087828696015025,"density_atomic":0.0987462232514556,"volume":283.5551485214626,"volume_molar":6.098603634353407,"formula_full":"Li8 V4 O12 F4","formula_reduced":"Li2VO3F","formula_anonymous":"ABC2D3","energy":-113.10646998,"energy_per_atom":-4.039516785,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-96.21446998,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.0692112,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.821000Z","spacegroup":1},{"id":"mp-768397","created_at":"2022-09-04T14:39:41.238707Z","structure_string":"Li24 Ti5 Cr7 O36\n1.0\n5.069727 0.000000 0.000000\n-0.851179 9.752148 0.000000\n-2.521144 -1.899880 12.979256\nLi Ti Cr O\n24 5 7 36\ndirect\n0.170805 0.000153 0.831644 Li\n0.045456 0.999776 0.613902 Li\n0.997830 0.751282 0.249776 Li\n0.334246 0.750337 0.917665 Li\n0.048931 0.499026 0.112470 Li\n0.379848 0.500231 0.778998 Li\n0.170777 0.499358 0.333680 Li\n0.500296 0.500639 0.999735 Li\n0.283963 0.500821 0.554667 Li\n0.333172 0.250024 0.417478 Li\n0.508146 0.999717 0.498236 Li\n0.280653 0.999016 0.052621 Li\n0.614363 0.998395 0.719035 Li\n0.382698 0.998438 0.280212 Li\n0.719914 0.001753 0.948254 Li\n0.665517 0.749563 0.582930 Li\n0.709552 0.499297 0.445873 Li\n0.838984 0.500192 0.664686 Li\n0.623037 0.502034 0.222361 Li\n0.949117 0.499065 0.887151 Li\n0.666106 0.250275 0.082352 Li\n0.828425 0.999629 0.167644 Li\n0.000335 0.250065 0.750165 Li\n0.949740 0.000762 0.387733 Li\n0.107757 0.746720 0.472590 Ti\n0.221684 0.248430 0.191846 Ti\n0.444221 0.248915 0.640584 Ti\n0.778268 0.749580 0.806212 Ti\n0.777336 0.251327 0.306410 Ti\n0.110020 0.250314 0.968274 Cr\n0.225676 0.750853 0.695325 Cr\n0.559417 0.250916 0.864248 Cr\n0.446153 0.751575 0.134950 Cr\n0.550252 0.749498 0.358465 Cr\n0.889434 0.249927 0.527495 Cr\n0.893872 0.750826 0.030864 Cr\n0.000930 0.862580 0.931166 O\n0.073961 0.635083 0.784863 O\n0.004085 0.363180 0.430114 O\n0.141830 0.362329 0.643958 O\n0.258121 0.364876 0.883369 O\n0.332968 0.863028 0.597654 O\n0.068987 0.133600 0.284636 O\n0.183063 0.137442 0.522793 O\n0.409077 0.136069 0.949081 O\n0.135605 0.862129 0.141213 O\n0.270248 0.864511 0.380787 O\n0.472791 0.862601 0.810424 O\n0.335094 0.137311 0.739603 O\n0.197513 0.637190 0.026637 O\n0.399387 0.633259 0.451960 O\n0.521026 0.636837 0.690100 O\n0.337144 0.640234 0.238575 O\n0.667826 0.637162 0.906384 O\n0.332833 0.362238 0.093286 O\n0.666836 0.363117 0.764121 O\n0.476694 0.363866 0.310110 O\n0.603070 0.363942 0.547717 O\n0.802970 0.362623 0.974590 O\n0.664850 0.862107 0.258677 O\n0.522774 0.135763 0.189354 O\n0.737920 0.134224 0.619248 O\n0.864913 0.138037 0.859237 O\n0.592283 0.865370 0.049660 O\n0.806255 0.861795 0.474558 O\n0.929975 0.865730 0.715143 O\n0.663737 0.137622 0.406128 O\n0.742887 0.636021 0.116064 O\n0.852105 0.637567 0.355441 O\n0.997478 0.637643 0.572983 O\n0.929881 0.366802 0.215021 O\n0.996888 0.137385 0.068811 O\n","nsites":72,"nelements":4,"elements":["Li","Ti","Cr","O"],"chemical_system":"Cr-Li-O-Ti","density":3.482712195721709,"density_atomic":0.11220128759117232,"volume":641.7038658446265,"volume_molar":5.3672652866006905,"formula_full":"Li24 Ti5 Cr7 O36","formula_reduced":"Li24Ti5Cr7O36","formula_anonymous":"A5B7C24D36","energy":-514.78018073,"energy_per_atom":-7.149724732361111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-476.05518073,"band_gap":1.2071999999999998,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":14.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.065000Z","spacegroup":1},{"id":"mp-754832","created_at":"2022-09-04T14:39:41.293752Z","structure_string":"Li3 Co5 O1 F11\n1.0\n5.180601 -0.041122 0.057058\n-2.552105 1.551556 4.680204\n2.700577 -7.623018 4.720496\nLi Co O F\n3 5 1 11\ndirect\n0.022482 0.035200 0.999390 Li\n0.530531 0.298901 0.266230 Li\n0.508408 0.764303 0.760959 Li\n0.978071 0.495422 0.498020 Co\n0.312762 0.771829 0.146084 Co\n0.303086 0.232603 0.647615 Co\n0.770910 0.004755 0.401102 Co\n0.808510 0.507415 0.906521 Co\n0.602823 0.253865 0.457060 O\n0.079652 0.854774 0.352224 F\n0.223586 0.423944 0.288688 F\n0.208031 0.898643 0.802816 F\n0.406955 0.159272 0.042144 F\n0.377234 0.638198 0.542606 F\n0.098082 0.346564 0.847067 F\n0.911955 0.599672 0.103104 F\n0.596040 0.749821 0.950672 F\n0.709500 0.002332 0.195112 F\n0.709020 0.506285 0.709090 F\n0.892119 0.080602 0.608373 F\n","nsites":20,"nelements":4,"elements":["Li","Co","O","F"],"chemical_system":"Co-F-Li-O","density":4.031251095596689,"density_atomic":0.08983560661118202,"volume":222.6288746127369,"volume_molar":6.70351210079146,"formula_full":"Li3 Co5 O1 F11","formula_reduced":"Li3Co5OF11","formula_anonymous":"AB3C5D11","energy":-115.94034451,"energy_per_atom":-5.7970172255,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-101.98134451,"band_gap":2.6076,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":15.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.053000Z","spacegroup":1},{"id":"mp-685249","created_at":"2022-09-04T14:39:41.411553Z","structure_string":"K12 Os6 O30\n1.0\n8.405953 0.000000 0.000000\n-0.153993 10.943889 0.000000\n-0.289867 -5.419416 9.594448\nK Os O\n12 6 30\ndirect\n0.996219 0.034189 0.698162 K\n0.010688 0.658688 0.956770 K\n0.737691 0.349451 0.682842 K\n0.256809 0.318380 0.656774 K\n0.268326 0.987656 0.994743 K\n0.442651 0.666458 0.619746 K\n0.997203 0.280313 0.310721 K\n0.742717 0.655992 0.321251 K\n0.234985 0.650610 0.329837 K\n0.487039 0.372182 0.028646 K\n0.554875 0.966022 0.342224 K\n0.736588 0.989034 0.985180 K\n0.500563 0.031199 0.696904 Os\n0.506274 0.674534 0.971731 Os\n0.003715 0.667841 0.635558 Os\n0.496375 0.304733 0.329189 Os\n0.992454 0.375822 0.020518 Os\n0.005483 0.954426 0.326052 Os\n0.000542 0.202703 0.998712 O\n0.685442 0.110746 0.786599 O\n0.322966 0.119669 0.776647 O\n0.004625 0.313614 0.833220 O\n0.493248 0.483312 0.867075 O\n0.325971 0.680250 0.882539 O\n0.688997 0.682339 0.898113 O\n0.509768 0.132185 0.604774 O\n0.010847 0.803512 0.818151 O\n0.964041 0.537998 0.688595 O\n0.046311 0.137847 0.453954 O\n0.492671 0.399284 0.519673 O\n0.488913 0.934257 0.793499 O\n0.816728 0.677961 0.566578 O\n0.674896 0.223199 0.341650 O\n0.312963 0.215227 0.314909 O\n0.966289 0.994026 0.188350 O\n0.128296 0.787573 0.604870 O\n0.119344 0.532999 0.499694 O\n0.496850 0.868878 0.534654 O\n0.495262 0.470384 0.328690 O\n0.510074 0.210910 0.139109 O\n0.853694 0.955915 0.441188 O\n0.978242 0.455900 0.210102 O\n0.941685 0.770533 0.215334 O\n0.204297 0.906878 0.336904 O\n0.175028 0.475235 0.048959 O\n0.805316 0.449165 0.015904 O\n0.510839 0.664477 0.130200 O\n0.505202 0.866694 0.073706 O\n","nsites":48,"nelements":3,"elements":["K","Os","O"],"chemical_system":"K-O-Os","density":3.9330483125343996,"density_atomic":0.054382930575650516,"volume":882.6298894140799,"volume_molar":11.073586318822548,"formula_full":"K12 Os6 O30","formula_reduced":"K2OsO5","formula_anonymous":"AB2C5","energy":-315.69991109,"energy_per_atom":-6.577081481041667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-295.08991109,"band_gap":1.3774,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.48e-05,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.900000Z","spacegroup":1},{"id":"mp-1212431","created_at":"2022-09-04T14:39:41.433941Z","structure_string":"K6 Al6 Si6 W8 O24\n1.0\n9.454405 0.000000 0.000000\n0.116060 9.555158 0.000000\n0.133329 0.042851 9.617239\nK Al Si W O\n6 6 6 8 24\ndirect\n0.195350 0.591555 0.875362 K\n0.641543 0.983168 0.342716 K\n0.149384 0.188816 0.481889 K\n0.223843 0.622084 0.402773 K\n0.717487 0.599491 0.898268 K\n0.767331 0.177900 0.846478 K\n0.718317 0.861578 0.657420 Al\n0.466098 0.360740 0.905650 Al\n0.471917 0.365159 0.403269 Al\n0.961977 0.618288 0.151119 Al\n0.977301 0.115074 0.150553 Al\n0.214185 0.858902 0.649144 Al\n0.471894 0.610051 0.650350 Si\n0.222006 0.370967 0.159867 Si\n0.469887 0.113275 0.644790 Si\n0.721173 0.362189 0.151189 Si\n0.964531 0.866403 0.905196 Si\n0.972448 0.876726 0.405343 Si\n0.834466 0.580497 0.432463 W\n0.322354 0.057053 0.197045 W\n0.956064 0.450600 0.678128 W\n0.109364 0.225519 0.836300 W\n0.349844 0.017955 0.902475 W\n0.630165 0.911820 0.004049 W\n0.374966 0.766116 0.104603 W\n0.786178 0.267026 0.484531 W\n0.325516 0.708023 0.648112 O\n0.619769 0.364760 0.012495 O\n0.629035 0.333978 0.298517 O\n0.611878 0.711200 0.656995 O\n0.803625 0.515221 0.161713 O\n0.959628 0.732724 0.304165 O\n0.836145 0.870021 0.512459 O\n0.328359 0.010056 0.667217 O\n0.319504 0.380713 0.299391 O\n0.804854 0.877646 0.825186 O\n0.122200 0.876033 0.489865 O\n0.474069 0.515793 0.508210 O\n0.468851 0.505685 0.788889 O\n0.961032 0.722458 0.999633 O\n0.448265 0.211702 0.509013 O\n0.468565 0.201478 0.796313 O\n0.960601 0.014320 0.305200 O\n0.973346 0.008040 0.999975 O\n0.610666 0.014348 0.633785 O\n0.090222 0.851303 0.787815 O\n0.835525 0.234174 0.134961 O\n0.316711 0.373925 0.016010 O\n0.138858 0.216003 0.180418 O\n0.109303 0.502840 0.157595 O\n","nsites":50,"nelements":5,"elements":["K","Al","Si","W","O"],"chemical_system":"Al-K-O-Si-W","density":4.624744162332243,"density_atomic":0.057550290520724336,"volume":868.8053448139343,"volume_molar":10.464136159019697,"formula_full":"K6 Al6 Si6 W8 O24","formula_reduced":"K3Al3Si3(WO3)4","formula_anonymous":"A3B3C3D4E12","energy":-368.46313775,"energy_per_atom":-7.369262754999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-316.47113775,"band_gap":0.0272999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.001719,"is_theoretical":true,"updated_at":"2021-11-28T01:34:33.487000Z","spacegroup":1},{"id":"mp-768625","created_at":"2022-09-04T14:39:41.442602Z","structure_string":"Li6 Fe1 Co3 P6 O24\n1.0\n8.435906 0.000000 0.000000\n3.949741 7.532594 0.000000\n3.958303 2.408442 7.133428\nLi Fe Co P O\n6 1 3 6 24\ndirect\n0.978894 0.003820 0.995876 Li\n0.251708 0.649093 0.849344 Li\n0.519768 0.505280 0.493295 Li\n0.736294 0.349416 0.154204 Li\n0.345842 0.157888 0.731629 Li\n0.158759 0.736848 0.347305 Li\n0.146015 0.147876 0.146727 Fe\n0.855167 0.861681 0.853618 Co\n0.644850 0.647736 0.636421 Co\n0.351842 0.351362 0.350229 Co\n0.950226 0.552199 0.249024 P\n0.551741 0.251903 0.948947 P\n0.249426 0.952583 0.549011 P\n0.749515 0.042492 0.457898 P\n0.456550 0.749181 0.038689 P\n0.044398 0.461642 0.750191 P\n0.872031 0.508113 0.700761 O\n0.686333 0.881702 0.497983 O\n0.953263 0.734911 0.080249 O\n0.470449 0.696749 0.881529 O\n0.760081 0.569965 0.406709 O\n0.986421 0.387869 0.190921 O\n0.741939 0.095181 0.928733 O\n0.545259 0.422466 0.767375 O\n0.404727 0.758630 0.567224 O\n0.816373 0.002482 0.615509 O\n0.904680 0.066025 0.261223 O\n0.626268 0.804414 0.989653 O\n0.387509 0.188036 0.991443 O\n0.094153 0.931400 0.743422 O\n0.185744 0.991482 0.388326 O\n0.588456 0.234802 0.442550 O\n0.446091 0.586877 0.230620 O\n0.262542 0.907305 0.071903 O\n0.028797 0.616809 0.806787 O\n0.234720 0.438360 0.585817 O\n0.521252 0.309754 0.113031 O\n0.065159 0.265668 0.907196 O\n0.312955 0.111998 0.517340 O\n0.113806 0.517002 0.312292 O\n","nsites":40,"nelements":5,"elements":["Li","Fe","Co","P","O"],"chemical_system":"Co-Fe-Li-O-P","density":3.092274750483451,"density_atomic":0.08824404702780761,"volume":453.2883672866356,"volume_molar":6.824415881676748,"formula_full":"Li6 Fe1 Co3 P6 O24","formula_reduced":"Li6FeCo3(PO4)6","formula_anonymous":"AB3C6D6E24","energy":-286.32050730000003,"energy_per_atom":-7.158012682500001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-262.6625073,"band_gap":0.5425000000000002,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":16.9855999,"is_theoretical":true,"updated_at":"2021-11-28T01:34:25.277000Z","spacegroup":1},{"id":"mp-1209228","created_at":"2022-09-04T14:39:41.468635Z","structure_string":"Rb1 Li3 S2 O9\n1.0\n5.076044 0.020505 -0.017305\n0.023236 5.022528 -1.392002\n-0.023970 0.023435 8.353699\nRb Li S O\n1 3 2 9\ndirect\n0.509214 0.574628 0.221773 Rb\n0.504054 0.139953 0.594981 Li\n0.996899 0.985111 0.994935 Li\n0.007013 0.763432 0.598917 Li\n0.504560 0.740634 0.804903 S\n0.003272 0.163391 0.386773 S\n0.140703 0.061277 0.517181 O\n0.628007 0.814840 0.661356 O\n0.714815 0.119887 0.395856 O\n0.542695 0.450376 0.787496 O\n0.058766 0.451443 0.413457 O\n0.105056 0.015125 0.220687 O\n0.215734 0.798796 0.803728 O\n0.621711 0.894916 0.963659 O\n0.005603 0.355890 0.955997 O\n","nsites":15,"nelements":4,"elements":["Rb","Li","S","O"],"chemical_system":"Li-O-Rb-S","density":2.449626010280415,"density_atomic":0.07037819703661384,"volume":213.13418972919038,"volume_molar":8.556827275451537,"formula_full":"Rb1 Li3 S2 O9","formula_reduced":"RbLi3S2O9","formula_anonymous":"AB2C3D9","energy":-89.61614207000001,"energy_per_atom":-5.974409471333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-83.43314207,"band_gap":0.3232,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":2.0013442,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.677000Z","spacegroup":1},{"id":"mp-1046267","created_at":"2022-09-04T14:39:41.465372Z","structure_string":"Ba2 Ti3 Tl2 Zn2 O10\n1.0\n3.867134 0.000000 0.000000\n0.000279 3.879864 0.000000\n-1.144992 -0.947763 19.907527\nBa Ti Tl Zn O\n2 3 2 2 10\ndirect\n0.113475 0.170059 0.320973 Ba\n0.778773 0.815616 0.676725 Ba\n0.337226 0.338254 0.820431 Ti\n0.574448 0.613472 0.178281 Ti\n0.357745 0.587371 0.001704 Ti\n0.707454 0.723605 0.439863 Tl\n0.252173 0.265007 0.557697 Tl\n0.862736 0.857256 0.895105 Zn\n0.042705 0.092187 0.103153 Zn\n0.351546 0.841646 0.845098 O\n0.307758 0.331109 0.731177 O\n0.845799 0.321843 0.842667 O\n0.806808 0.749291 0.554061 O\n0.827843 0.620843 0.981187 O\n0.071597 0.603118 0.151612 O\n0.579097 0.636370 0.267718 O\n0.595937 0.107765 0.159023 O\n0.274736 0.236068 0.443221 O\n0.313233 0.107082 0.021271 O\n","nsites":19,"nelements":5,"elements":["Ba","Ti","Tl","Zn","O"],"chemical_system":"Ba-O-Ti-Tl-Zn","density":6.2144574661629335,"density_atomic":0.0636107569859042,"volume":298.6916191582235,"volume_molar":9.467173549490182,"formula_full":"Ba2 Ti3 Tl2 Zn2 O10","formula_reduced":"Ba2Ti3Tl2Zn2O10","formula_anonymous":"A2B2C2D3E10","energy":-129.10983375,"energy_per_atom":-6.7952544078947374,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-122.23983375,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.2622355,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.812000Z","spacegroup":1},{"id":"mp-770495","created_at":"2022-09-04T14:39:41.487087Z","structure_string":"Li4 Ti2 Mn3 Fe3 O16\n1.0\n-5.892245 0.000000 0.000000\n2.911984 5.148002 0.000000\n-0.056031 -0.203120 -9.524957\nLi Ti Mn Fe O\n4 2 3 3 16\ndirect\n0.664038 0.321341 0.897474 Li\n0.998796 0.004187 0.994246 Li\n0.998843 0.007179 0.494616 Li\n0.337681 0.662033 0.396422 Li\n0.667944 0.340232 0.494286 Ti\n0.332181 0.664424 0.994638 Ti\n0.829933 0.173213 0.215471 Mn\n0.660560 0.828336 0.713719 Mn\n0.168777 0.343909 0.716055 Mn\n0.828643 0.659817 0.214552 Fe\n0.340309 0.171729 0.215048 Fe\n0.174042 0.835153 0.716058 Fe\n0.834000 0.672070 0.593047 O\n0.524748 0.480422 0.346640 O\n0.669904 0.324579 0.105249 O\n0.995879 0.007611 0.306589 O\n0.996935 0.012386 0.805345 O\n0.336354 0.172482 0.596990 O\n0.964056 0.472858 0.337446 O\n0.532642 0.039978 0.339957 O\n0.164053 0.828405 0.088735 O\n0.854002 0.197951 0.592385 O\n0.482969 0.952182 0.843922 O\n0.035977 0.512524 0.837779 O\n0.335834 0.656302 0.608682 O\n0.663805 0.837531 0.095718 O\n0.452080 0.488369 0.847658 O\n0.155315 0.333097 0.099115 O\n","nsites":28,"nelements":5,"elements":["Li","Ti","Mn","Fe","O"],"chemical_system":"Fe-Li-Mn-O-Ti","density":4.091169327836997,"density_atomic":0.09691154205078689,"volume":288.9232738173383,"volume_molar":6.214059370600122,"formula_full":"Li4 Ti2 Mn3 Fe3 O16","formula_reduced":"Li4Ti2Mn3Fe3O16","formula_anonymous":"A2B3C3D4E16","energy":-219.54329764,"energy_per_atom":-7.840832058571428,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-196.77929764,"band_gap":0.2808999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":25.0014505,"is_theoretical":true,"updated_at":"2021-11-28T01:34:31.782000Z","spacegroup":1},{"id":"mp-690570","created_at":"2022-09-04T14:39:41.630468Z","structure_string":"Ni4 Bi9 O18\n1.0\n8.452829 0.000000 0.000000\n-2.168887 8.227673 0.000000\n-2.914515 -3.954274 7.179782\nNi Bi O\n4 9 18\ndirect\n0.275587 0.462525 0.169928 Ni\n0.484415 0.179725 0.272542 Ni\n0.789970 0.667055 0.504039 Ni\n0.700363 0.503169 0.812583 Ni\n0.847384 0.180656 0.677371 Bi\n0.017718 0.010282 0.999285 Bi\n0.687584 0.865971 0.156021 Bi\n0.176455 0.660371 0.881836 Bi\n0.841439 0.374001 0.185081 Bi\n0.362335 0.224953 0.826023 Bi\n0.205631 0.353949 0.481855 Bi\n0.527058 0.823413 0.685893 Bi\n0.150728 0.819994 0.328903 Bi\n0.964859 0.637138 0.989342 O\n0.661443 0.076768 0.354139 O\n0.363574 0.648331 0.101800 O\n0.289343 0.964424 0.036704 O\n0.109621 0.314820 0.694309 O\n0.661300 0.406414 0.315926 O\n0.695074 0.016420 0.998024 O\n0.902134 0.675557 0.324440 O\n0.389442 0.649912 0.768286 O\n0.877037 0.933233 0.636521 O\n0.300165 0.951021 0.648417 O\n0.664663 0.344409 0.926552 O\n0.431695 0.307624 0.634794 O\n0.245782 0.604362 0.382331 O\n0.713053 0.661210 0.700787 O\n0.019110 0.271099 0.985453 O\n0.003717 0.025911 0.274406 O\n0.291320 0.270286 0.251411 O\n","nsites":31,"nelements":3,"elements":["Ni","Bi","O"],"chemical_system":"Bi-Ni-O","density":7.9931593565150925,"density_atomic":0.06208280485107876,"volume":499.3331096164438,"volume_molar":9.700175071737853,"formula_full":"Ni4 Bi9 O18","formula_reduced":"Ni4(BiO2)9","formula_anonymous":"A4B9C18","energy":-188.80112587,"energy_per_atom":-6.090358899032258,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-166.27112587,"band_gap":1.7466,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.0020112,"is_theoretical":true,"updated_at":"2021-11-28T01:34:38.221000Z","spacegroup":1},{"id":"mp-532701","created_at":"2022-09-04T14:39:41.604395Z","structure_string":"Na6 Mg6 In2 S12 O48\n1.0\n7.654019 -0.018025 4.733094\n2.629985 7.186096 4.730794\n-0.057134 -0.045576 18.013886\nNa Mg In S O\n6 6 2 12 48\ndirect\n0.999666 0.997913 0.000849 Na\n0.020339 0.003623 0.492086 Na\n0.496472 0.523694 0.237491 Na\n0.594685 0.241248 0.441779 Na\n0.469560 0.499942 0.761391 Na\n0.874460 0.598030 0.620495 Na\n0.349570 0.350120 0.180456 Mg\n0.145981 0.141206 0.574154 Mg\n0.357134 0.352231 0.675412 Mg\n0.649003 0.656546 0.324390 Mg\n0.856595 0.847513 0.418851 Mg\n0.646054 0.647114 0.825579 Mg\n0.148009 0.146061 0.075451 In\n0.850042 0.849641 0.926025 In\n0.047643 0.746275 0.226109 S\n0.455791 0.051621 0.374826 S\n0.745234 0.451649 0.024616 S\n0.250304 0.545520 0.478008 S\n0.547640 0.951474 0.127804 S\n0.046035 0.746726 0.722788 S\n0.949186 0.251972 0.276081 S\n0.451520 0.048776 0.873079 S\n0.750040 0.450697 0.524356 S\n0.253981 0.545182 0.977046 S\n0.543174 0.952809 0.626352 S\n0.958731 0.249917 0.771401 S\n0.970356 0.215442 0.198465 O\n0.207414 0.398543 0.985251 O\n0.400843 0.968147 0.104509 O\n0.107088 0.291250 0.256011 O\n0.293124 0.497570 0.057247 O\n0.061779 0.910273 0.136285 O\n0.498984 0.111488 0.148160 O\n0.225906 0.590288 0.212816 O\n0.280978 0.067891 0.456043 O\n0.989568 0.209728 0.693790 O\n0.432017 0.226978 0.294752 O\n0.587403 0.424834 0.111502 O\n0.218484 0.382198 0.495691 O\n0.082289 0.716084 0.468823 O\n0.388754 0.988338 0.604712 O\n0.112893 0.292340 0.754313 O\n0.909995 0.274957 0.030368 O\n0.412343 0.568389 0.390584 O\n0.286378 0.516370 0.556596 O\n0.574960 0.775888 0.206408 O\n0.064371 0.910736 0.637352 O\n0.724497 0.939495 0.045203 O\n0.513029 0.109235 0.645110 O\n0.221700 0.587146 0.713514 O\n0.770187 0.408960 0.291466 O\n0.499640 0.892942 0.353627 O\n0.273966 0.060324 0.954947 O\n0.928632 0.087360 0.363234 O\n0.425807 0.224709 0.794835 O\n0.704249 0.485732 0.447381 O\n0.590404 0.430940 0.612704 O\n0.090178 0.723389 0.969436 O\n0.894109 0.700727 0.245130 O\n0.608833 0.025215 0.396820 O\n0.913281 0.276848 0.533264 O\n0.794670 0.607503 0.506471 O\n0.412419 0.571239 0.889447 O\n0.571791 0.773245 0.704948 O\n0.017373 0.796716 0.299908 O\n0.721228 0.930553 0.544042 O\n0.781680 0.412856 0.781378 O\n0.500271 0.890081 0.851381 O\n0.937269 0.088743 0.860721 O\n0.706600 0.500762 0.943776 O\n0.890771 0.703648 0.740091 O\n0.597011 0.029028 0.898133 O\n0.790866 0.598544 0.016868 O\n0.013762 0.786827 0.802111 O\n","nsites":74,"nelements":5,"elements":["Na","Mg","In","S","O"],"chemical_system":"In-Mg-Na-O-S","density":2.781475058368906,"density_atomic":0.07439473118815436,"volume":994.694097527471,"volume_molar":8.094848470880537,"formula_full":"Na6 Mg6 In2 S12 O48","formula_reduced":"Na3Mg3In(SO4)6","formula_anonymous":"AB3C3D6E24","energy":-477.12595207,"energy_per_atom":-6.447648000945946,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-444.14995207,"band_gap":3.7666,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0007534,"is_theoretical":true,"updated_at":"2021-11-28T01:34:28.348000Z","spacegroup":1},{"id":"mp-1176367","created_at":"2022-09-04T14:39:41.761557Z","structure_string":"Na6 Li6 Mn4 P4 C4 O28\n1.0\n6.739756 0.000000 0.000000\n-0.109202 8.807782 0.000000\n-0.038372 -0.209785 10.201560\nNa Li Mn P C O\n6 6 4 4 4 28\ndirect\n0.245235 0.917002 0.878391 Na\n0.245117 0.915244 0.378700 Na\n0.997809 0.745815 0.123198 Na\n0.501679 0.745273 0.121889 Na\n0.501799 0.251252 0.875492 Na\n0.501977 0.253341 0.375391 Na\n0.031190 0.725656 0.613547 Li\n0.466909 0.726837 0.613405 Li\n0.972546 0.271837 0.889176 Li\n0.976861 0.272745 0.386561 Li\n0.770664 0.085369 0.628968 Li\n0.767901 0.096043 0.125985 Li\n0.748911 0.639796 0.880474 Mn\n0.749506 0.640260 0.394959 Mn\n0.242666 0.350772 0.615166 Mn\n0.243469 0.359207 0.109841 Mn\n0.243240 0.587450 0.848218 P\n0.243993 0.583333 0.360925 P\n0.752654 0.408037 0.648002 P\n0.751919 0.406431 0.145157 P\n0.760460 0.956456 0.864511 C\n0.760869 0.955520 0.365997 C\n0.249708 0.046561 0.631326 C\n0.247526 0.060851 0.134095 C\n0.251034 0.898430 0.638102 O\n0.253430 0.914622 0.145370 O\n0.754918 0.921012 0.988099 O\n0.754646 0.920571 0.488461 O\n0.747013 0.851544 0.773114 O\n0.749615 0.847027 0.275750 O\n0.064537 0.683317 0.894628 O\n0.433174 0.672991 0.895976 O\n0.065947 0.680765 0.409323 O\n0.433073 0.670155 0.412219 O\n0.244109 0.579885 0.693799 O\n0.753408 0.575495 0.598927 O\n0.246398 0.575762 0.207919 O\n0.748203 0.566744 0.085293 O\n0.232160 0.422149 0.899449 O\n0.774800 0.417203 0.800480 O\n0.231746 0.418794 0.411342 O\n0.774911 0.424644 0.297651 O\n0.559931 0.319233 0.610960 O\n0.924108 0.311650 0.589293 O\n0.561517 0.311838 0.112882 O\n0.924890 0.308604 0.089956 O\n0.245175 0.130980 0.737362 O\n0.238932 0.148762 0.237886 O\n0.251600 0.112627 0.518967 O\n0.249479 0.121234 0.018948 O\n0.778941 0.097553 0.829888 O\n0.777697 0.095323 0.328586 O\n","nsites":52,"nelements":6,"elements":["Na","Li","Mn","P","C","O"],"chemical_system":"C-Li-Mn-Na-O-P","density":2.794832858473336,"density_atomic":0.08586694752441908,"volume":605.588081318625,"volume_molar":7.01333974669055,"formula_full":"Na6 Li6 Mn4 P4 C4 O28","formula_reduced":"Na3Li3Mn2P2(CO7)2","formula_anonymous":"A2B2C2D3E3F14","energy":-377.23813429,"energy_per_atom":-7.254579505576923,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-351.33013429,"band_gap":3.4426,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":20.0000001,"is_theoretical":true,"updated_at":"2021-11-28T01:34:41.731000Z","spacegroup":1}]}