{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=42","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=40","results":[{"id":"mp-1174554","created_at":"2022-09-04T14:40:58.939426Z","structure_string":"Li10 Mn6 O16\n1.0\n5.753452 0.002973 -0.001605\n-2.875348 4.267409 2.934717\n2.872077 -4.301374 8.661037\nLi Mn O\n10 6 16\ndirect\n0.999997 0.249964 0.249990 Li\n0.999989 0.749954 0.749987 Li\n0.499995 0.250021 0.250010 Li\n0.499985 0.750007 0.750017 Li\n0.500010 0.999988 0.999974 Li\n0.500019 0.499997 0.499971 Li\n0.999998 0.250063 0.749963 Li\n0.999976 0.750062 0.249984 Li\n0.500096 0.250043 0.749966 Li\n0.500084 0.750043 0.249988 Li\n0.000198 0.500208 0.499698 Mn\n0.999885 0.000069 0.500145 Mn\n0.499911 0.999866 0.500053 Mn\n0.000144 0.000069 0.000031 Mn\n0.999773 0.499831 0.000037 Mn\n0.500001 0.499932 0.000161 Mn\n0.750872 0.387191 0.885571 O\n0.750763 0.887199 0.385592 O\n0.249093 0.612750 0.114462 O\n0.249085 0.112781 0.614467 O\n0.260932 0.401536 0.880180 O\n0.260906 0.901569 0.380157 O\n0.739096 0.598522 0.119901 O\n0.739092 0.098545 0.619879 O\n0.737225 0.846700 0.893152 O\n0.737217 0.346760 0.393041 O\n0.214403 0.846245 0.893076 O\n0.214581 0.346320 0.392988 O\n0.262739 0.153143 0.106967 O\n0.262744 0.653210 0.606796 O\n0.785563 0.153686 0.106929 O\n0.785625 0.653727 0.606869 O\n","nsites":32,"nelements":3,"elements":["Li","Mn","O"],"chemical_system":"Li-Mn-O","density":3.8114756291591143,"density_atomic":0.1121330716716892,"volume":285.37522002154515,"volume_molar":5.37053045120536,"formula_full":"Li10 Mn6 O16","formula_reduced":"Li5Mn3O8","formula_anonymous":"A3B5C8","energy":-221.60152922,"energy_per_atom":-6.925047788125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-200.60152922,"band_gap":0.6528999999999998,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.9e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:35:10.862000Z","spacegroup":12},{"id":"mp-1025648","created_at":"2022-09-04T14:40:59.011831Z","structure_string":"Te2 Mo1 W2 S4\n1.0\n1.648716 -2.855660 0.000000\n1.648716 2.855660 0.000000\n0.000000 0.000000 30.502066\nTe Mo W S\n2 1 2 4\ndirect\n0.333333 0.666667 0.052917 Te\n0.333333 0.666667 0.178337 Te\n0.000000 0.000000 0.115614 Mo\n0.000000 0.000000 0.578319 W\n0.333333 0.666667 0.347020 W\n0.000000 0.000000 0.397367 S\n0.333333 0.666667 0.527930 S\n0.333333 0.666667 0.628696 S\n0.000000 0.000000 0.296642 S\n","nsites":9,"nelements":4,"elements":["Te","Mo","W","S"],"chemical_system":"Mo-S-Te-W","density":4.89735878956458,"density_atomic":0.03133508711556856,"volume":287.21796645423814,"volume_molar":19.218522475426447,"formula_full":"Te2 Mo1 W2 S4","formula_reduced":"Te2Mo(WS2)2","formula_anonymous":"AB2C2D4","energy":-67.53990780999999,"energy_per_atom":-7.50443420111111,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-64.68390781,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004598,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.078000Z","spacegroup":156},{"id":"mp-1022263","created_at":"2022-09-04T14:40:59.015951Z","structure_string":"Mg12 Fe2 Si2\n1.0\n4.664812 0.000000 0.000000\n0.000000 6.063534 0.000000\n0.000000 0.000000 10.340400\nMg Fe Si\n12 2 2\ndirect\n0.000000 0.258195 0.088802 Mg\n0.000000 0.741805 0.088802 Mg\n0.000000 0.500000 0.834115 Mg\n0.500000 0.235930 0.909890 Mg\n0.500000 0.764070 0.909890 Mg\n0.500000 0.500000 0.666727 Mg\n0.000000 0.758195 0.588802 Mg\n0.000000 0.241805 0.588802 Mg\n0.000000 0.000000 0.334115 Mg\n0.500000 0.735930 0.409890 Mg\n0.500000 0.264070 0.409890 Mg\n0.500000 0.000000 0.166727 Mg\n0.000000 0.500000 0.317318 Fe\n0.000000 0.000000 0.817318 Fe\n0.500000 0.500000 0.184455 Si\n0.500000 0.000000 0.684455 Si\n","nsites":16,"nelements":3,"elements":["Mg","Fe","Si"],"chemical_system":"Fe-Mg-Si","density":2.608898355761135,"density_atomic":0.05470445314092041,"volume":292.480759450853,"volume_molar":11.008501893779606,"formula_full":"Mg12 Fe2 Si2","formula_reduced":"Mg6FeSi","formula_anonymous":"ABC6","energy":-44.4080997,"energy_per_atom":-2.77550623125,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.5500997,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":3.8462375,"is_theoretical":true,"updated_at":"2021-11-28T01:35:13.795000Z","spacegroup":38},{"id":"mp-7932","created_at":"2022-09-04T14:40:59.016744Z","structure_string":"U2 Si2 S2\n1.0\n4.063095 0.000000 0.000000\n0.000000 4.063095 0.000000\n0.000000 0.000000 7.161416\nU Si S\n2 2 2\ndirect\n0.000000 0.500000 0.750942 U\n0.500000 0.000000 0.249058 U\n0.000000 0.500000 0.364841 Si\n0.500000 0.000000 0.635159 Si\n0.500000 0.500000 0.000000 S\n0.000000 0.000000 0.000000 S\n","nsites":6,"nelements":3,"elements":["U","Si","S"],"chemical_system":"S-Si-U","density":8.37613924516187,"density_atomic":0.05075027438395901,"volume":118.22596178704526,"volume_molar":11.866223056132794,"formula_full":"U2 Si2 S2","formula_reduced":"USiS","formula_anonymous":"ABC","energy":-44.79651566,"energy_per_atom":-7.466085943333333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-43.93251566,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010095,"is_theoretical":false,"updated_at":"2021-11-28T01:35:11.906000Z","spacegroup":129},{"id":"mp-18468","created_at":"2022-09-04T14:40:59.027449Z","structure_string":"Mn20 Si4 C4\n1.0\n3.921776 -5.007500 0.000000\n3.921776 5.007500 0.000000\n0.000000 0.000000 7.497350\nMn Si C\n20 4 4\ndirect\n0.874078 0.125922 0.000000 Mn\n0.125922 0.874078 0.500000 Mn\n0.874078 0.125922 0.500000 Mn\n0.125922 0.874078 0.000000 Mn\n0.064054 0.299426 0.250000 Mn\n0.935946 0.700574 0.750000 Mn\n0.700574 0.935946 0.750000 Mn\n0.299426 0.064054 0.250000 Mn\n0.192656 0.484017 0.564761 Mn\n0.807344 0.515983 0.064761 Mn\n0.515983 0.807344 0.064761 Mn\n0.484017 0.192656 0.564761 Mn\n0.865753 0.865753 0.250000 Mn\n0.134247 0.134247 0.750000 Mn\n0.532917 0.532917 0.750000 Mn\n0.467083 0.467083 0.250000 Mn\n0.484017 0.192656 0.935239 Mn\n0.515983 0.807344 0.435239 Mn\n0.807344 0.515983 0.435239 Mn\n0.192656 0.484017 0.935239 Mn\n0.334396 0.823974 0.750000 Si\n0.665604 0.176026 0.250000 Si\n0.176026 0.665604 0.250000 Si\n0.823974 0.334396 0.750000 Si\n0.806972 0.806972 0.965321 C\n0.193028 0.193028 0.465321 C\n0.806972 0.806972 0.534679 C\n0.193028 0.193028 0.034679 C\n","nsites":28,"nelements":3,"elements":["Mn","Si","C"],"chemical_system":"C-Mn-Si","density":7.100412183442919,"density_atomic":0.09508598455680647,"volume":294.47031684540406,"volume_molar":6.333363206017223,"formula_full":"Mn20 Si4 C4","formula_reduced":"Mn5SiC","formula_anonymous":"ABC5","energy":-246.85850099000004,"energy_per_atom":-8.816375035357144,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-246.85850099000004,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":19.4235838,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.047000Z","spacegroup":63},{"id":"mp-1232171","created_at":"2022-09-04T14:40:59.086250Z","structure_string":"Mg2 Sc2 Se6\n1.0\n6.380348 -3.405225 0.000000\n6.380348 3.405225 0.000000\n4.562962 0.000000 5.611041\nMg Sc Se\n2 2 6\ndirect\n0.153889 0.153889 0.153889 Mg\n0.846111 0.846111 0.846111 Mg\n0.342753 0.342753 0.342753 Sc\n0.657247 0.657247 0.657247 Sc\n0.935854 0.568878 0.250425 Se\n0.064146 0.431122 0.749575 Se\n0.568878 0.250425 0.935854 Se\n0.431122 0.749575 0.064146 Se\n0.250425 0.935854 0.568878 Se\n0.749575 0.064146 0.431122 Se\n","nsites":10,"nelements":3,"elements":["Mg","Sc","Se"],"chemical_system":"Mg-Sc-Se","density":4.170007604380365,"density_atomic":0.0410144018459827,"volume":243.8167948310451,"volume_molar":14.68299058124594,"formula_full":"Mg2 Sc2 Se6","formula_reduced":"MgScSe3","formula_anonymous":"ABC3","energy":-51.381339,"energy_per_atom":-5.1381339,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-48.549339,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0496028,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.336000Z","spacegroup":148},{"id":"mp-761501","created_at":"2022-09-04T14:40:59.506154Z","structure_string":"Mn2 Co1 O6\n1.0\n1.448990 6.360557 0.000000\n-1.448990 6.360557 0.000000\n0.000000 1.442880 5.678706\nMn Co O\n2 1 6\ndirect\n0.665989 0.665989 0.169924 Mn\n0.334011 0.334011 0.830076 Mn\n0.000000 0.000000 0.500000 Co\n0.152843 0.152843 0.393022 O\n0.490214 0.490214 0.714253 O\n0.823149 0.823149 0.055340 O\n0.509786 0.509786 0.285747 O\n0.847157 0.847157 0.606978 O\n0.176851 0.176851 0.944660 O\n","nsites":9,"nelements":3,"elements":["Mn","Co","O"],"chemical_system":"Co-Mn-O","density":4.200843325247712,"density_atomic":0.08598101978694903,"volume":104.67426441673935,"volume_molar":7.0040350474118185,"formula_full":"Mn2 Co1 O6","formula_reduced":"Mn2CoO6","formula_anonymous":"AB2C6","energy":-69.00440058,"energy_per_atom":-7.667155619999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-59.908400580000006,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.9999345,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.818000Z","spacegroup":12},{"id":"mp-974760","created_at":"2022-09-04T14:40:59.508942Z","structure_string":"Rb3 Th1\n1.0\n0.000000 5.009826 5.009826\n5.009826 0.000000 5.009826\n5.009826 5.009826 0.000000\nRb Th\n3 1\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Th\n","nsites":4,"nelements":2,"elements":["Rb","Th"],"chemical_system":"Rb-Th","density":3.225252314405169,"density_atomic":0.015906039942289788,"volume":251.47679840568608,"volume_molar":37.86071694682963,"formula_full":"Rb3 Th1","formula_reduced":"Rb3Th","formula_anonymous":"AB3","energy":-6.33874237,"energy_per_atom":-1.5846855925,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.33874237,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":4.0660493,"is_theoretical":true,"updated_at":"2021-11-28T01:35:12.204000Z","spacegroup":225},{"id":"mp-1176655","created_at":"2022-09-04T14:40:59.518838Z","structure_string":"Mn6 O9 F3\n1.0\n3.312127 4.382850 0.000000\n-3.312127 4.382850 0.000000\n0.000000 2.486657 6.589258\nMn O F\n6 9 3\ndirect\n0.665019 0.665859 0.835377 Mn\n0.312338 0.352820 0.665865 Mn\n0.647180 0.687662 0.334135 Mn\n0.334141 0.334981 0.164623 Mn\n0.017585 0.982415 0.500000 Mn\n0.029119 0.970881 0.000000 Mn\n0.902375 0.896906 0.295807 O\n0.551274 0.575144 0.628014 O\n0.238983 0.223361 0.958239 O\n0.103094 0.097625 0.704193 O\n0.776639 0.761017 0.041761 O\n0.424856 0.448726 0.371986 O\n0.366310 0.980858 0.327413 O\n0.019142 0.633690 0.672587 O\n0.314540 0.685460 0.000000 O\n0.626922 0.055614 0.657350 F\n0.944386 0.373078 0.342650 F\n0.726099 0.273901 0.000000 F\n","nsites":18,"nelements":3,"elements":["Mn","O","F"],"chemical_system":"F-Mn-O","density":4.605757248834558,"density_atomic":0.0940897703313443,"volume":191.3066631644612,"volume_molar":6.40042029945718,"formula_full":"Mn6 O9 F3","formula_reduced":"Mn2O3F","formula_anonymous":"AB2C3","energy":-141.96228277,"energy_per_atom":-7.8867934872222225,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-124.38528277,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":21.0005511,"is_theoretical":true,"updated_at":"2021-11-28T01:34:59.150000Z","spacegroup":5},{"id":"mp-601848","created_at":"2022-09-04T14:40:59.541753Z","structure_string":"Fe11 Co5\n1.0\n5.711692 0.000000 0.000000\n0.000000 5.711692 0.000000\n0.000000 0.000000 5.705879\nFe Co\n11 5\ndirect\n0.749742 0.749742 0.249850 Fe\n0.250258 0.749742 0.750150 Fe\n0.749742 0.250258 0.249850 Fe\n0.749742 0.250258 0.750150 Fe\n0.000000 0.000000 0.000000 Fe\n0.250258 0.749742 0.249850 Fe\n0.749742 0.749742 0.750150 Fe\n0.250258 0.250258 0.249850 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.250258 0.250258 0.750150 Fe\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n","nsites":16,"nelements":2,"elements":["Fe","Co"],"chemical_system":"Co-Fe","density":8.108531663798573,"density_atomic":0.08595435077407912,"volume":186.14531848485615,"volume_molar":7.0062081858177105,"formula_full":"Fe11 Co5","formula_reduced":"Fe11Co5","formula_anonymous":"A5B11","energy":-129.62424892,"energy_per_atom":-8.1015155575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-129.62424892,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":36.7898386,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.095000Z","spacegroup":123},{"id":"mp-675391","created_at":"2022-09-04T14:40:58.944421Z","structure_string":"Tl4 Fe6 Se8\n1.0\n5.532715 0.000000 0.000000\n0.000000 7.297159 0.000000\n0.000000 4.289744 10.391387\nTl Fe Se\n4 6 8\ndirect\n0.012591 0.500000 0.750000 Tl\n0.500000 0.500000 0.500000 Tl\n0.987409 0.500000 0.250000 Tl\n0.500000 0.500000 0.000000 Tl\n0.250451 0.997762 0.501175 Fe\n0.749549 0.002238 0.498825 Fe\n0.750076 0.000000 0.250000 Fe\n0.250451 0.002238 0.998825 Fe\n0.749549 0.997762 0.001175 Fe\n0.249924 0.000000 0.750000 Fe\n0.501585 0.799606 0.675220 Se\n0.002497 0.199575 0.576483 Se\n0.997503 0.800425 0.423517 Se\n0.498415 0.200394 0.324780 Se\n0.498415 0.799606 0.175220 Se\n0.997503 0.199575 0.076483 Se\n0.002497 0.800425 0.923517 Se\n0.501585 0.200394 0.824780 Se\n","nsites":18,"nelements":3,"elements":["Tl","Fe","Se"],"chemical_system":"Fe-Se-Tl","density":7.062317784911782,"density_atomic":0.04290489831049123,"volume":419.53251747012274,"volume_molar":14.036021520012435,"formula_full":"Tl4 Fe6 Se8","formula_reduced":"Tl2Fe3Se4","formula_anonymous":"A2B3C4","energy":-95.65908811,"energy_per_atom":-5.314393783888889,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-91.88308811000002,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":18.3790074,"is_theoretical":true,"updated_at":"2021-11-28T01:35:09.277000Z","spacegroup":13},{"id":"mp-1275766","created_at":"2022-09-04T14:40:57.495740Z","structure_string":"Sr12 Ta4 Co4 O28\n1.0\n3.969036 -0.000838 0.002362\n-0.003193 15.772385 0.001269\n1.991139 -1.971117 10.799199\nSr Ta Co O\n12 4 4 28\ndirect\n0.518305 0.370661 0.959138 Sr\n0.520978 0.617738 0.961292 Sr\n0.525976 0.872149 0.959768 Sr\n0.523844 0.118949 0.961096 Sr\n0.307707 0.173192 0.384434 Sr\n0.307440 0.421770 0.383053 Sr\n0.305790 0.673826 0.384576 Sr\n0.309377 0.922989 0.383403 Sr\n0.677244 0.326626 0.634631 Sr\n0.683624 0.574308 0.633287 Sr\n0.687345 0.833921 0.634068 Sr\n0.684146 0.083391 0.634005 Sr\n0.902301 0.274262 0.195290 Ta\n0.900046 0.524911 0.198420 Ta\n0.902501 0.774296 0.195660 Ta\n0.902409 0.024661 0.197642 Ta\n0.124046 0.721034 0.782507 Co\n0.110841 0.974590 0.783986 Co\n0.104422 0.223710 0.791236 Co\n0.106686 0.472407 0.783976 Co\n0.201427 0.198575 0.601673 O\n0.197736 0.451888 0.600715 O\n0.178078 0.701253 0.607580 O\n0.200848 0.948122 0.600754 O\n0.804489 0.298849 0.388874 O\n0.802108 0.549517 0.392271 O\n0.803414 0.798212 0.390637 O\n0.805269 0.048654 0.390157 O\n0.990739 0.251894 0.017466 O\n0.988104 0.504946 0.021475 O\n0.988755 0.750733 0.018258 O\n0.990825 0.002140 0.020337 O\n0.597700 0.226114 0.806628 O\n0.596184 0.476379 0.805542 O\n0.588781 0.726728 0.808914 O\n0.601306 0.975153 0.803212 O\n0.095117 0.356265 0.806549 O\n0.097627 0.597069 0.803589 O\n0.100582 0.855765 0.804562 O\n0.099033 0.094547 0.808042 O\n0.397028 0.275885 0.205190 O\n0.394446 0.526538 0.209477 O\n0.396208 0.775565 0.206774 O\n0.396898 0.025798 0.207385 O\n0.895763 0.151002 0.207311 O\n0.896178 0.401023 0.207226 O\n0.894667 0.651429 0.210258 O\n0.895661 0.900566 0.207681 O\n","nsites":48,"nelements":4,"elements":["Sr","Ta","Co","O"],"chemical_system":"Co-O-Sr-Ta","density":6.04039987020081,"density_atomic":0.07100821133127402,"volume":675.978159428154,"volume_molar":8.480907555754301,"formula_full":"Sr12 Ta4 Co4 O28","formula_reduced":"Sr3TaCoO7","formula_anonymous":"ABC3D7","energy":-374.5017785,"energy_per_atom":-7.802120385416667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-348.7137785,"band_gap":0.2279,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":11.9987488,"is_theoretical":true,"updated_at":"2021-11-28T01:35:00.645000Z","spacegroup":1}]}