{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10227","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=formula_anonymous&page=10225","results":[{"id":"mp-1017555","created_at":"2022-09-04T14:39:12.102431Z","structure_string":"Cs1 Be1 F3\n1.0\n4.035341 0.000000 0.000000\n0.000000 4.035341 0.000000\n0.000000 0.000000 4.035341\nCs Be F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Be\n0.000000 0.500000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n","nsites":5,"nelements":3,"elements":["Cs","Be","F"],"chemical_system":"Be-Cs-F","density":5.026563847397926,"density_atomic":0.07609029790632492,"volume":65.71139997579614,"volume_molar":7.914466003818099,"formula_full":"Cs1 Be1 F3","formula_reduced":"CsBeF3","formula_anonymous":"ABC3","energy":-24.09661291,"energy_per_atom":-4.819322582,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-22.710612909999995,"band_gap":5.367100000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":true,"updated_at":"2021-11-28T01:34:37.029000Z","spacegroup":221},{"id":"mp-569875","created_at":"2022-09-04T14:39:14.539392Z","structure_string":"Sc1 B1 Rh3\n1.0\n4.130425 0.000000 0.000000\n0.000000 4.130425 0.000000\n0.000000 0.000000 4.130425\nSc B Rh\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 B\n0.000000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n","nsites":5,"nelements":3,"elements":["Sc","B","Rh"],"chemical_system":"B-Rh-Sc","density":8.589000803397774,"density_atomic":0.07095545385710071,"volume":70.4667467855205,"volume_molar":8.487213360833639,"formula_full":"Sc1 B1 Rh3","formula_reduced":"ScBRh3","formula_anonymous":"ABC3","energy":-38.87156582,"energy_per_atom":-7.7743131640000005,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-38.87156582,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0632375,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.070000Z","spacegroup":221},{"id":"mp-647557","created_at":"2022-09-04T14:39:08.507950Z","structure_string":"Zr8 Pb8 O24\n1.0\n6.042341 0.000000 0.000000\n0.000000 8.386099 0.000000\n0.000000 0.000000 11.956119\nZr Pb O\n8 8 24\ndirect\n0.741378 0.754192 0.380220 Zr\n0.241378 0.754192 0.119780 Zr\n0.258622 0.754192 0.619780 Zr\n0.259069 0.252163 0.619546 Zr\n0.240931 0.252163 0.119546 Zr\n0.740931 0.252163 0.380454 Zr\n0.759069 0.252163 0.880454 Zr\n0.758622 0.754192 0.880220 Zr\n0.309268 0.988593 0.863110 Pb\n0.690732 0.988593 0.136890 Pb\n0.809268 0.988593 0.636890 Pb\n0.307655 0.489313 0.857771 Pb\n0.692345 0.489313 0.142229 Pb\n0.190732 0.988593 0.363110 Pb\n0.807655 0.489313 0.642229 Pb\n0.192345 0.489313 0.357771 Pb\n0.000000 0.773586 0.000000 O\n0.453516 0.751623 0.764532 O\n0.533434 0.275305 0.240604 O\n0.210154 0.508538 0.624089 O\n0.953516 0.751623 0.735468 O\n0.000000 0.792910 0.500000 O\n0.789846 0.508538 0.375911 O\n0.546484 0.751623 0.235468 O\n0.500000 0.792910 0.000000 O\n0.716438 0.007489 0.850459 O\n0.033434 0.275305 0.259396 O\n0.000000 0.249796 0.500000 O\n0.710154 0.508538 0.875911 O\n0.216438 0.007489 0.649541 O\n0.046484 0.751623 0.264532 O\n0.500000 0.773586 0.500000 O\n0.466566 0.275305 0.759396 O\n0.783562 0.007489 0.350459 O\n0.500000 0.249796 0.000000 O\n0.289846 0.508538 0.124089 O\n0.283562 0.007489 0.149541 O\n0.500000 0.249277 0.500000 O\n0.966566 0.275305 0.740604 O\n0.000000 0.249277 0.000000 O\n","nsites":40,"nelements":3,"elements":["Zr","Pb","O"],"chemical_system":"O-Pb-Zr","density":7.596076936112935,"density_atomic":0.06602441262261771,"volume":605.8365142698349,"volume_molar":9.121081916201735,"formula_full":"Zr8 Pb8 O24","formula_reduced":"ZrPbO3","formula_anonymous":"ABC3","energy":-330.66473068999994,"energy_per_atom":-8.26661826725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-314.17673069,"band_gap":3.2094,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0037509,"is_theoretical":false,"updated_at":"2021-11-28T01:34:30.850000Z","spacegroup":32},{"id":"mp-776023","created_at":"2022-09-04T14:39:08.331726Z","structure_string":"Cd8 Si8 O24\n1.0\n5.519971 0.000000 0.000000\n0.000000 9.745057 0.000000\n0.000000 0.000000 9.852316\nCd Si O\n8 8 24\ndirect\n0.250000 0.897398 0.000000 Cd\n0.250000 0.277742 0.000000 Cd\n0.750000 0.722258 0.000000 Cd\n0.750000 0.102602 0.000000 Cd\n0.250000 0.397398 0.500000 Cd\n0.250000 0.777742 0.500000 Cd\n0.750000 0.222258 0.500000 Cd\n0.750000 0.602602 0.500000 Cd\n0.083362 0.583261 0.209795 Si\n0.583362 0.416739 0.209795 Si\n0.083362 0.083261 0.290205 Si\n0.583362 0.916739 0.290205 Si\n0.416638 0.083261 0.709795 Si\n0.916638 0.916739 0.709795 Si\n0.916638 0.416739 0.790205 Si\n0.416638 0.583261 0.790205 Si\n0.091056 0.090375 0.124630 O\n0.591056 0.909625 0.124630 O\n0.568192 0.270252 0.131635 O\n0.068192 0.729748 0.131635 O\n0.826837 0.504390 0.158183 O\n0.326837 0.495610 0.158183 O\n0.326837 0.995610 0.341817 O\n0.826837 0.004390 0.341817 O\n0.068192 0.229748 0.368365 O\n0.568192 0.770252 0.368365 O\n0.091056 0.590375 0.375370 O\n0.591056 0.409625 0.375370 O\n0.908944 0.409625 0.624630 O\n0.408944 0.590375 0.624630 O\n0.431808 0.229748 0.631635 O\n0.931808 0.770252 0.631635 O\n0.173163 0.995610 0.658183 O\n0.673163 0.004390 0.658183 O\n0.173163 0.495610 0.841817 O\n0.673163 0.504390 0.841817 O\n0.931808 0.270252 0.868365 O\n0.431808 0.729748 0.868365 O\n0.408944 0.090375 0.875370 O\n0.908944 0.909625 0.875370 O\n","nsites":40,"nelements":3,"elements":["Cd","Si","O"],"chemical_system":"Cd-O-Si","density":4.724748711745973,"density_atomic":0.07547454068362586,"volume":529.9800388010572,"volume_molar":7.979035984125568,"formula_full":"Cd8 Si8 O24","formula_reduced":"CdSiO3","formula_anonymous":"ABC3","energy":-270.1860732,"energy_per_atom":-6.75465183,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-253.6980732,"band_gap":2.5256,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0025586,"is_theoretical":true,"updated_at":"2021-11-28T01:34:32.776000Z","spacegroup":60},{"id":"mp-1540546","created_at":"2022-09-04T14:39:06.744007Z","structure_string":"Rb2 Pb2 F6\n1.0\n6.711313 -0.077208 6.815496\n3.301954 4.745371 3.406284\n0.004466 0.002315 6.821396\nRb Pb F\n2 2 6\ndirect\n0.247165 0.431957 0.537994 Rb\n0.747142 0.431980 0.537840 Rb\n0.983396 0.904095 0.065573 Pb\n0.483390 0.904106 0.065620 Pb\n0.188741 0.419019 0.016391 F\n0.827327 0.780485 0.550461 F\n0.327349 0.780188 0.016601 F\n0.688875 0.419010 0.189072 F\n0.654144 0.953137 0.189986 F\n0.154322 0.953113 0.550524 F\n","nsites":10,"nelements":3,"elements":["Rb","Pb","F"],"chemical_system":"F-Pb-Rb","density":5.306470235616777,"density_atomic":0.04569586978221504,"volume":218.83815862701945,"volume_molar":13.178741949111194,"formula_full":"Rb2 Pb2 F6","formula_reduced":"RbPbF3","formula_anonymous":"ABC3","energy":-48.65931515,"energy_per_atom":-4.865931515,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-45.88731515,"band_gap":3.8195,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0006365,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.360000Z","spacegroup":161},{"id":"mp-4651","created_at":"2022-09-04T14:39:14.814398Z","structure_string":"Sr2 Ti2 O6\n1.0\n-2.783864 2.783864 3.953553\n2.783864 -2.783864 3.953553\n2.783864 2.783864 -3.953553\nSr Ti O\n2 2 6\ndirect\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.770933 0.270933 0.041867 O\n0.270933 0.229067 0.500000 O\n0.729067 0.770933 0.500000 O\n0.229067 0.729067 0.958133 O\n0.750000 0.750000 0.000000 O\n0.250000 0.250000 0.000000 O\n","nsites":10,"nelements":3,"elements":["Sr","Ti","O"],"chemical_system":"O-Sr-Ti","density":4.972062125329374,"density_atomic":0.08159365986070191,"volume":122.55854213516308,"volume_molar":7.380647920783431,"formula_full":"Sr2 Ti2 O6","formula_reduced":"SrTiO3","formula_anonymous":"ABC3","energy":-84.38022916,"energy_per_atom":-8.438022916,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-80.25822915999998,"band_gap":1.8488,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001119,"is_theoretical":true,"updated_at":"2021-11-28T01:34:43.587000Z","spacegroup":140},{"id":"mp-613402","created_at":"2022-09-04T14:39:21.208426Z","structure_string":"Sr1 Zr1 O3\n1.0\n4.405374 0.000000 0.000000\n0.000000 4.405374 0.000000\n0.000000 0.000000 4.405374\nSr Zr O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n","nsites":5,"nelements":3,"elements":["Sr","Zr","O"],"chemical_system":"O-Sr-Zr","density":4.405798138641195,"density_atomic":0.0584819239105693,"volume":85.49650328956366,"volume_molar":10.297439545951109,"formula_full":"Sr1 Zr1 O3","formula_reduced":"SrZrO3","formula_anonymous":"ABC3","energy":-30.80610248,"energy_per_atom":-6.161220496,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-28.74510248,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0278837,"is_theoretical":false,"updated_at":"2021-11-28T01:34:32.097000Z","spacegroup":221},{"id":"mp-637918","created_at":"2022-09-04T14:39:09.213152Z","structure_string":"Cr6 Ge2 N2\n1.0\n5.330989 0.000000 0.000000\n0.000000 5.330989 0.000000\n0.000000 0.000000 4.010243\nCr Ge N\n6 2 2\ndirect\n0.208418 0.708418 0.922303 Cr\n0.791582 0.291582 0.922303 Cr\n0.500000 0.500000 0.500000 Cr\n0.291582 0.208418 0.077697 Cr\n0.708418 0.791582 0.077697 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.445545 Ge\n0.500000 0.000000 0.554455 Ge\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n","nsites":10,"nelements":3,"elements":["Cr","Ge","N"],"chemical_system":"Cr-Ge-N","density":7.070437355734573,"density_atomic":0.08774325428258546,"volume":113.9688752344887,"volume_molar":6.863366089209691,"formula_full":"Cr6 Ge2 N2","formula_reduced":"Cr3GeN","formula_anonymous":"ABC3","energy":-87.00403593000001,"energy_per_atom":-8.700403593,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-86.28203593,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0487519,"is_theoretical":false,"updated_at":"2021-11-28T01:34:41.923000Z","spacegroup":113},{"id":"mp-29798","created_at":"2022-09-04T14:44:42.381461Z","structure_string":"Tl1 Br1 O3\n1.0\n3.424074 -3.116567 0.000000\n3.424074 3.116567 0.000000\n0.587398 0.000000 4.592629\nTl Br O\n1 1 3\ndirect\n0.004451 0.004451 0.004451 Tl\n0.501816 0.501816 0.501816 Br\n0.436303 0.867127 0.436303 O\n0.867127 0.436303 0.436303 O\n0.436303 0.436303 0.867127 O\n","nsites":5,"nelements":3,"elements":["Tl","Br","O"],"chemical_system":"Br-O-Tl","density":5.629236805581325,"density_atomic":0.05101043594484055,"volume":98.01915838176099,"volume_molar":11.805703379033968,"formula_full":"Tl1 Br1 O3","formula_reduced":"TlBrO3","formula_anonymous":"ABC3","energy":-22.06369404,"energy_per_atom":-4.412738808,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-20.00269404,"band_gap":3.5098000000000003,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001414,"is_theoretical":false,"updated_at":"2021-11-28T01:37:01.948000Z","spacegroup":160},{"id":"mp-1100371","created_at":"2022-09-04T14:44:26.310919Z","structure_string":"Ca6 Sn6 S18\n1.0\n3.410931 -6.424711 0.000000\n3.410931 6.424711 0.000000\n0.000000 0.000000 17.737150\nCa Sn S\n6 6 18\ndirect\n0.067728 0.932272 0.250000 Ca\n0.932272 0.067728 0.750000 Ca\n0.698762 0.301238 0.431111 Ca\n0.301238 0.698762 0.568889 Ca\n0.301238 0.698762 0.931111 Ca\n0.698762 0.301238 0.068889 Ca\n0.000000 0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.655836 0.344164 0.660254 Sn\n0.344164 0.655836 0.339746 Sn\n0.344164 0.655836 0.160254 Sn\n0.655836 0.344164 0.839746 Sn\n0.010784 0.492986 0.250000 S\n0.501095 0.498905 0.250000 S\n0.507014 0.989216 0.250000 S\n0.989216 0.507014 0.750000 S\n0.498905 0.501095 0.750000 S\n0.492986 0.010784 0.750000 S\n0.611138 0.873919 0.446158 S\n0.127043 0.872957 0.395298 S\n0.126081 0.388862 0.446158 S\n0.388862 0.126081 0.553842 S\n0.872957 0.127043 0.604702 S\n0.873919 0.611138 0.553842 S\n0.388862 0.126081 0.946158 S\n0.872957 0.127043 0.895298 S\n0.873919 0.611138 0.946158 S\n0.611138 0.873919 0.053842 S\n0.127043 0.872957 0.104702 S\n0.126081 0.388862 0.053842 S\n","nsites":30,"nelements":3,"elements":["Ca","Sn","S"],"chemical_system":"Ca-S-Sn","density":3.267918440355781,"density_atomic":0.03859054299075452,"volume":777.3925338958659,"volume_molar":15.605224216313252,"formula_full":"Ca6 Sn6 S18","formula_reduced":"CaSnS3","formula_anonymous":"ABC3","energy":-144.6560052,"energy_per_atom":-4.82186684,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-135.6020052,"band_gap":0.2672000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0002992,"is_theoretical":true,"updated_at":"2021-11-28T01:36:33.814000Z","spacegroup":63},{"id":"mp-998457","created_at":"2022-09-04T14:44:22.624261Z","structure_string":"Cs2 Sn2 F6\n1.0\n5.749436 -3.593816 0.000000\n5.749436 3.593816 0.000000\n3.503039 0.000000 5.805191\nCs Sn F\n2 2 6\ndirect\n0.254687 0.254687 0.254687 Cs\n0.754687 0.754687 0.754687 Cs\n0.003122 0.003122 0.003122 Sn\n0.503122 0.503122 0.503122 Sn\n0.875035 0.178376 0.717280 F\n0.717280 0.875035 0.178376 F\n0.178376 0.717280 0.875035 F\n0.375035 0.217280 0.678376 F\n0.217280 0.678376 0.375035 F\n0.678376 0.375035 0.217280 F\n","nsites":10,"nelements":3,"elements":["Cs","Sn","F"],"chemical_system":"Cs-F-Sn","density":4.2723067545733615,"density_atomic":0.04168429005300381,"volume":239.8985322116429,"volume_molar":14.447027290959076,"formula_full":"Cs2 Sn2 F6","formula_reduced":"CsSnF3","formula_anonymous":"ABC3","energy":-48.97409129,"energy_per_atom":-4.897409129,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-46.20209129,"band_gap":3.828,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":2.8e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:34.743000Z","spacegroup":161},{"id":"mp-1218256","created_at":"2022-09-04T14:45:13.414436Z","structure_string":"Sr1 In3 Hg1\n1.0\n-2.418384 2.418384 6.261567\n2.418384 -2.418384 6.261567\n2.418384 2.418384 -6.261567\nSr In Hg\n1 3 1\ndirect\n0.000971 0.000971 0.000000 Sr\n0.749103 0.249103 0.500000 In\n0.249103 0.749103 0.500000 In\n0.389963 0.389963 0.000000 In\n0.610861 0.610861 0.000000 Hg\n","nsites":5,"nelements":3,"elements":["Sr","In","Hg"],"chemical_system":"Hg-In-Sr","density":7.171808344667642,"density_atomic":0.03413315707093857,"volume":146.48513144004096,"volume_molar":17.643081615580563,"formula_full":"Sr1 In3 Hg1","formula_reduced":"SrIn3Hg","formula_anonymous":"ABC3","energy":-11.749111,"energy_per_atom":-2.3498221999999998,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.749111,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0038428,"is_theoretical":true,"updated_at":"2021-11-28T01:36:55.537000Z","spacegroup":107}]}