{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=12164","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formation_energy_per_atom&page=12162","results":[{"id":"mp-772151","created_at":"2022-09-04T14:46:35.757393Z","structure_string":"Li4 Ti8 O18\n1.0\n2.536562 -4.393454 0.000000\n2.536562 4.393454 0.000000\n0.000000 0.000000 13.975063\nLi Ti O\n4 8 18\ndirect\n0.000000 0.000000 0.144185 Li\n0.000000 0.000000 0.355815 Li\n0.000000 0.000000 0.644185 Li\n0.000000 0.000000 0.855815 Li\n0.333333 0.666667 0.024851 Ti\n0.333333 0.666667 0.312393 Ti\n0.333333 0.666667 0.524851 Ti\n0.333333 0.666667 0.812393 Ti\n0.666667 0.333333 0.187607 Ti\n0.666667 0.333333 0.687607 Ti\n0.666667 0.333333 0.475149 Ti\n0.666667 0.333333 0.975149 Ti\n0.000000 0.657938 0.750000 O\n0.024865 0.640886 0.418643 O\n0.359114 0.975135 0.918643 O\n0.000000 0.342062 0.250000 O\n0.024865 0.383980 0.918643 O\n0.359114 0.383980 0.418643 O\n0.342062 0.342062 0.750000 O\n0.383980 0.359114 0.081357 O\n0.616020 0.975135 0.418643 O\n0.342062 0.000000 0.250000 O\n0.383980 0.024865 0.581357 O\n0.616020 0.640886 0.918643 O\n0.657938 0.657938 0.250000 O\n0.640886 0.616020 0.581357 O\n0.975135 0.616020 0.081357 O\n0.640886 0.024865 0.081357 O\n0.657938 0.000000 0.750000 O\n0.975135 0.359114 0.581357 O\n","nsites":30,"nelements":3,"elements":["Li","Ti","O"],"chemical_system":"Li-O-Ti","density":3.724755687176229,"density_atomic":0.09631322361589725,"volume":311.4837077787132,"volume_molar":6.252662442300393,"formula_full":"Li4 Ti8 O18","formula_reduced":"Li2Ti4O9","formula_anonymous":"A2B4C9","energy":-258.38890099,"energy_per_atom":-8.612963366333334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-246.02290099,"band_gap":2.8924,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0004402,"is_theoretical":true,"updated_at":"2021-11-28T01:37:36.191000Z","spacegroup":165},{"id":"mp-625108","created_at":"2022-09-04T14:46:35.946440Z","structure_string":"H20 N4 O8\n1.0\n8.498198 0.000000 0.000000\n0.000000 5.940793 0.000000\n0.000000 2.643867 5.877266\nH N O\n20 4 8\ndirect\n0.244386 0.405855 0.460923 H\n0.078331 0.322855 0.576505 H\n0.744386 0.094145 0.539077 H\n0.578331 0.177145 0.423495 H\n0.755614 0.594145 0.539077 H\n0.921669 0.677145 0.423495 H\n0.255614 0.905855 0.460923 H\n0.421669 0.822855 0.576505 H\n0.192309 0.490432 0.810544 H\n0.266361 0.527386 0.021653 H\n0.014379 0.790650 0.844567 H\n0.766361 0.972614 0.978347 H\n0.692309 0.009568 0.189456 H\n0.514379 0.709350 0.155433 H\n0.985621 0.209350 0.155433 H\n0.807691 0.509568 0.189456 H\n0.733639 0.472614 0.978347 H\n0.485621 0.290650 0.844567 H\n0.307691 0.990432 0.810544 H\n0.233639 0.027386 0.021653 H\n0.564625 0.440068 0.778965 N\n0.064625 0.059932 0.221035 N\n0.435375 0.559932 0.221035 N\n0.935375 0.940068 0.778965 N\n0.164264 0.440891 0.552882 O\n0.664264 0.059109 0.447118 O\n0.835736 0.559109 0.447118 O\n0.335736 0.940891 0.552882 O\n0.166741 0.517860 0.948043 O\n0.666741 0.982140 0.051957 O\n0.833259 0.482140 0.051957 O\n0.333259 0.017860 0.948043 O\n","nsites":32,"nelements":3,"elements":["H","N","O"],"chemical_system":"H-N-O","density":1.1426609503567644,"density_atomic":0.10784583210772924,"volume":296.71985810295007,"volume_molar":5.584027349322475,"formula_full":"H20 N4 O8","formula_reduced":"H5NO2","formula_anonymous":"AB2C5","energy":-156.36570416,"energy_per_atom":-4.886428255,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-149.42570416,"band_gap":1.5646,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":7.9997737,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.926000Z","spacegroup":14},{"id":"mp-755708","created_at":"2022-09-04T14:46:35.963827Z","structure_string":"Rb2 Fe2 O4\n1.0\n2.478720 -6.123938 0.000000\n2.478720 6.123938 0.000000\n0.000000 0.000000 5.549590\nRb Fe O\n2 2 4\ndirect\n0.692956 0.307044 0.750000 Rb\n0.307044 0.692956 0.250000 Rb\n0.997709 0.002291 0.750000 Fe\n0.002291 0.997709 0.250000 Fe\n0.896971 0.103029 0.496213 O\n0.896971 0.103029 0.003787 O\n0.103029 0.896971 0.503787 O\n0.103029 0.896971 0.996213 O\n","nsites":8,"nelements":3,"elements":["Rb","Fe","O"],"chemical_system":"Fe-O-Rb","density":3.416312374585671,"density_atomic":0.04748329369065781,"volume":168.48030914026452,"volume_molar":12.682651711637345,"formula_full":"Rb2 Fe2 O4","formula_reduced":"RbFeO2","formula_anonymous":"ABC2","energy":-51.60501583,"energy_per_atom":-6.45062697875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-44.34501583,"band_gap":0.3994,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":6.0000005,"is_theoretical":true,"updated_at":"2021-11-28T01:37:40.104000Z","spacegroup":63},{"id":"mp-1212582","created_at":"2022-09-04T14:46:36.785803Z","structure_string":"Eu4 Al6 O16\n1.0\n-4.495227 4.495227 4.495227\n4.495227 -4.495227 4.495227\n4.495227 4.495227 -4.495227\nEu Al O\n4 6 16\ndirect\n0.296818 0.296818 0.296818 Eu\n0.703182 0.000000 0.000000 Eu\n0.000000 0.703182 0.000000 Eu\n0.000000 0.000000 0.703182 Eu\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n0.750000 0.500000 0.250000 Al\n0.250000 0.500000 0.750000 Al\n0.500000 0.250000 0.750000 Al\n0.500000 0.750000 0.250000 Al\n0.789788 0.789788 0.789788 O\n0.210212 0.000000 0.000000 O\n0.000000 0.210212 0.000000 O\n0.000000 0.000000 0.210212 O\n0.277942 0.553476 0.553476 O\n0.722058 0.275533 0.275533 O\n0.000000 0.446524 0.724467 O\n0.553476 0.553476 0.277942 O\n0.000000 0.724467 0.446524 O\n0.275533 0.275533 0.722058 O\n0.446524 0.724467 0.000000 O\n0.724467 0.446524 0.000000 O\n0.553476 0.277942 0.553476 O\n0.724467 0.000000 0.446524 O\n0.446524 0.000000 0.724467 O\n0.275533 0.722058 0.275533 O\n","nsites":26,"nelements":3,"elements":["Eu","Al","O"],"chemical_system":"Al-Eu-O","density":4.68780637591816,"density_atomic":0.07155804612590529,"volume":363.341390767621,"volume_molar":8.415742304372223,"formula_full":"Eu4 Al6 O16","formula_reduced":"Eu2Al3O8","formula_anonymous":"A2B3C8","energy":-225.72747953,"energy_per_atom":-8.681826135769231,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-214.73547953,"band_gap":0.2191,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":22.0003193,"is_theoretical":true,"updated_at":"2021-11-28T01:37:38.869000Z","spacegroup":217},{"id":"mp-1235478","created_at":"2022-09-04T14:46:36.794662Z","structure_string":"Li1 Dy2 O2 F2\n1.0\n-1.758743 -3.046231 0.000000\n1.758743 -3.046231 0.000000\n0.000000 -2.030821 8.631999\nLi Dy O F\n1 2 2 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.758109 0.758109 0.725675 Dy\n0.241891 0.241891 0.274325 Dy\n0.617856 0.617856 0.146433 O\n0.382144 0.382144 0.853567 O\n0.864542 0.864542 0.406373 F\n0.135458 0.135458 0.593627 F\n","nsites":7,"nelements":4,"elements":["Li","Dy","O","F"],"chemical_system":"Dy-F-Li-O","density":7.216058851779379,"density_atomic":0.07568179912615652,"volume":92.49251578086121,"volume_molar":7.957184989698107,"formula_full":"Li1 Dy2 O2 F2","formula_reduced":"LiDy2(OF)2","formula_anonymous":"AB2C2D2","energy":-47.7484392,"energy_per_atom":-6.8212056,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.4504392,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.3803785,"is_theoretical":true,"updated_at":"2021-11-28T01:37:42.244000Z","spacegroup":166},{"id":"mp-616610","created_at":"2022-09-04T14:46:37.405911Z","structure_string":"In2 Cu2 Mo4 O16\n1.0\n5.859167 4.851103 0.000000\n-5.859167 4.851103 0.000000\n0.000000 0.097652 5.050671\nIn Cu Mo O\n2 2 4 16\ndirect\n0.844973 0.155027 0.750000 In\n0.155027 0.844973 0.250000 In\n0.341404 0.658596 0.750000 Cu\n0.658596 0.341404 0.250000 Cu\n0.168149 0.349046 0.260081 Mo\n0.831851 0.650954 0.739919 Mo\n0.349046 0.168149 0.760081 Mo\n0.650954 0.831851 0.239919 Mo\n0.940963 0.314380 0.400175 O\n0.431567 0.808738 0.397990 O\n0.093655 0.192916 0.953664 O\n0.314380 0.940963 0.900175 O\n0.685620 0.059037 0.099825 O\n0.191262 0.568433 0.102010 O\n0.410722 0.304209 0.070710 O\n0.808738 0.431567 0.897990 O\n0.906345 0.807084 0.046336 O\n0.304209 0.410722 0.570710 O\n0.695791 0.589278 0.429290 O\n0.589278 0.695791 0.929290 O\n0.568433 0.191262 0.602010 O\n0.192916 0.093655 0.453664 O\n0.807084 0.906345 0.546336 O\n0.059037 0.685620 0.599825 O\n","nsites":24,"nelements":4,"elements":["In","Cu","Mo","O"],"chemical_system":"Cu-In-Mo-O","density":5.7631714418347135,"density_atomic":0.08359028272059203,"volume":287.11471260627434,"volume_molar":7.2043550565913765,"formula_full":"In2 Cu2 Mo4 O16","formula_reduced":"InCu(MoO4)2","formula_anonymous":"ABC2D8","energy":-179.04707361,"energy_per_atom":-7.4602947337500005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-155.24707361,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":8.76e-05,"is_theoretical":false,"updated_at":"2021-11-28T01:37:41.132000Z","spacegroup":15},{"id":"mp-1192202","created_at":"2022-09-04T14:46:35.663634Z","structure_string":"Dy4 C4 O16\n1.0\n4.880372 0.000000 0.000000\n0.000000 7.135251 0.000000\n0.000000 0.000000 8.741837\nDy C O\n4 4 16\ndirect\n0.026019 0.878539 0.340274 Dy\n0.473981 0.121461 0.840274 Dy\n0.973981 0.378539 0.159726 Dy\n0.526019 0.621461 0.659726 Dy\n0.007232 0.952142 0.673537 C\n0.492768 0.047858 0.173537 C\n0.992768 0.452142 0.826463 C\n0.507232 0.547858 0.326463 C\n0.967867 0.692231 0.140940 O\n0.532133 0.307769 0.640940 O\n0.032133 0.192231 0.359060 O\n0.467867 0.807769 0.859060 O\n0.540047 0.949599 0.292361 O\n0.959953 0.050401 0.792361 O\n0.459953 0.449599 0.207639 O\n0.040047 0.550401 0.707639 O\n0.762353 0.576163 0.368449 O\n0.737647 0.423837 0.868449 O\n0.237647 0.076163 0.131551 O\n0.262353 0.923837 0.631551 O\n0.316648 0.616621 0.413376 O\n0.183352 0.383379 0.913376 O\n0.683352 0.116621 0.086624 O\n0.816648 0.883379 0.586624 O\n","nsites":24,"nelements":3,"elements":["Dy","C","O"],"chemical_system":"C-Dy-O","density":5.2041247594641975,"density_atomic":0.07883995276875053,"volume":304.41418541174954,"volume_molar":7.638437807876226,"formula_full":"Dy4 C4 O16","formula_reduced":"DyCO4","formula_anonymous":"ABC4","energy":-194.14217209000003,"energy_per_atom":-8.089257170416667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-183.15017209,"band_gap":0.7540999999999999,"is_gap_direct":true,"is_magnetic":true,"total_magnetization":4.0011352,"is_theoretical":false,"updated_at":"2021-11-28T01:37:39.327000Z","spacegroup":19},{"id":"mp-501","created_at":"2022-09-04T14:46:35.665000Z","structure_string":"Ta4 Se8\n1.0\n1.743980 -3.020662 0.000000\n1.743980 3.020662 0.000000\n0.000000 0.000000 27.248077\nTa Se\n4 8\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ta\n0.000000 0.000000 0.250000 Ta\n0.000000 0.000000 0.750000 Ta\n0.333333 0.666667 0.061014 Se\n0.666667 0.333333 0.561014 Se\n0.666667 0.333333 0.938986 Se\n0.333333 0.666667 0.438986 Se\n0.333333 0.666667 0.688640 Se\n0.666667 0.333333 0.188640 Se\n0.666667 0.333333 0.311360 Se\n0.333333 0.666667 0.811360 Se\n","nsites":12,"nelements":2,"elements":["Ta","Se"],"chemical_system":"Se-Ta","density":7.840251759461715,"density_atomic":0.04179956480882695,"volume":287.08432862597465,"volume_molar":14.407185308130972,"formula_full":"Ta4 Se8","formula_reduced":"TaSe2","formula_anonymous":"AB2","energy":-88.78136097,"energy_per_atom":-7.3984467474999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-85.00536097,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0109155,"is_theoretical":false,"updated_at":"2021-11-28T01:37:42.390000Z","spacegroup":194},{"id":"mp-25773","created_at":"2022-09-04T14:46:35.666577Z","structure_string":"Mn16 Cl6 O20\n1.0\n-4.765313 4.765313 6.562862\n4.765313 -4.765313 6.562862\n4.765313 4.765313 -6.562862\nMn Cl O\n16 6 20\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.000000 0.649622 0.649622 Mn\n0.649622 0.000000 0.649622 Mn\n0.350378 0.000000 0.350378 Mn\n0.000000 0.350378 0.350378 Mn\n0.998819 0.998819 0.350558 Mn\n0.648261 0.648261 0.649442 Mn\n0.001181 0.001181 0.649442 Mn\n0.648261 0.998819 0.000000 Mn\n0.998819 0.648261 0.000000 Mn\n0.001181 0.351739 0.000000 Mn\n0.351739 0.001181 0.000000 Mn\n0.351739 0.351739 0.350558 Mn\n0.303585 0.303585 0.000000 Cl\n0.696778 0.696778 0.393556 Cl\n0.696778 0.303222 0.000000 Cl\n0.303222 0.696778 0.000000 Cl\n0.303222 0.303222 0.606444 Cl\n0.696415 0.696415 0.000000 Cl\n0.100010 0.900243 0.199767 O\n0.700476 0.900243 0.800233 O\n0.099757 0.899990 0.800233 O\n0.900243 0.100010 0.199767 O\n0.900243 0.700476 0.800233 O\n0.899990 0.099757 0.800233 O\n0.299524 0.099757 0.199767 O\n0.099757 0.299524 0.199767 O\n0.401898 0.901898 0.500000 O\n0.901898 0.401898 0.500000 O\n0.598102 0.098102 0.500000 O\n0.098102 0.598102 0.500000 O\n0.594752 0.094752 0.189503 O\n0.905248 0.094752 0.500000 O\n0.594752 0.405248 0.500000 O\n0.094752 0.594752 0.189503 O\n0.094752 0.905248 0.500000 O\n0.405248 0.594752 0.500000 O\n0.905248 0.405248 0.810497 O\n0.405248 0.905248 0.810497 O\n","nsites":42,"nelements":3,"elements":["Mn","Cl","O"],"chemical_system":"Cl-Mn-O","density":3.9324201579758546,"density_atomic":0.07045521807217445,"volume":596.1233411693528,"volume_molar":8.54747302581749,"formula_full":"Mn16 Cl6 O20","formula_reduced":"Mn8Cl3O10","formula_anonymous":"A3B8C10","energy":-337.83570510000004,"energy_per_atom":-8.043707264285715,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-293.7237051,"band_gap":0.4544999999999999,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":66.0007727,"is_theoretical":true,"updated_at":"2021-11-28T01:37:37.998000Z","spacegroup":139},{"id":"mp-1187408","created_at":"2022-09-04T14:46:35.668733Z","structure_string":"Th3 Cl1\n1.0\n-2.396930 2.396930 5.126806\n2.396930 -2.396930 5.126806\n2.396930 2.396930 -5.126806\nTh Cl\n3 1\ndirect\n0.750000 0.250000 0.500000 Th\n0.250000 0.750000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n0.000000 0.000000 0.000000 Cl\n","nsites":4,"nelements":2,"elements":["Th","Cl"],"chemical_system":"Cl-Th","density":10.310642615995095,"density_atomic":0.0339502060117212,"volume":117.81960906567146,"volume_molar":17.73815675204114,"formula_full":"Th3 Cl1","formula_reduced":"Th3Cl","formula_anonymous":"AB3","energy":-24.44712455,"energy_per_atom":-6.1117811375,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-23.83312455,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0178785,"is_theoretical":true,"updated_at":"2021-11-28T01:37:43.715000Z","spacegroup":139},{"id":"mp-1078506","created_at":"2022-09-04T14:46:35.673059Z","structure_string":"Pd1 N2 Cl6\n1.0\n0.000000 4.968709 4.968709\n4.968709 0.000000 4.968709\n4.968709 4.968709 0.000000\nPd N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Pd\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n0.766742 0.766742 0.233258 Cl\n0.233258 0.766742 0.233258 Cl\n0.766742 0.233258 0.233258 Cl\n0.233258 0.233258 0.766742 Cl\n0.766742 0.233258 0.766742 Cl\n0.233258 0.766742 0.766742 Cl\n","nsites":9,"nelements":3,"elements":["Pd","N","Cl"],"chemical_system":"Cl-N-Pd","density":2.349672509053957,"density_atomic":0.036684434327166004,"volume":245.335662524724,"volume_molar":16.416065479686054,"formula_full":"Pd1 N2 Cl6","formula_reduced":"Pd(NCl3)2","formula_anonymous":"AB2C6","energy":-26.07701823,"energy_per_atom":-2.89744647,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.39301823,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":1.762305,"is_theoretical":false,"updated_at":"2021-11-28T01:37:41.165000Z","spacegroup":225},{"id":"mp-23516","created_at":"2022-09-04T14:46:35.678721Z","structure_string":"Cu4 Cl4 O2\n1.0\n0.000000 4.707207 4.978017\n4.023618 0.000000 4.978017\n4.023618 4.707207 0.000000\nCu Cl O\n4 4 2\ndirect\n0.125000 0.625000 0.125000 Cu\n0.125000 0.125000 0.625000 Cu\n0.125000 0.125000 0.125000 Cu\n0.625000 0.125000 0.125000 Cu\n0.288148 0.288148 0.711852 Cl\n0.711852 0.711852 0.288148 Cl\n0.538148 0.538148 0.961852 Cl\n0.961852 0.961852 0.538148 Cl\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n","nsites":10,"nelements":3,"elements":["Cu","Cl","O"],"chemical_system":"Cl-Cu-O","density":3.768956974665404,"density_atomic":0.05303146072723893,"volume":188.56731198549897,"volume_molar":11.355788955115099,"formula_full":"Cu4 Cl4 O2","formula_reduced":"Cu2Cl2O","formula_anonymous":"AB2C2","energy":-42.74309816,"energy_per_atom":-4.274309816000001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.91309816,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":0.5202978,"is_theoretical":false,"updated_at":"2021-11-28T01:37:38.737000Z","spacegroup":70}]}