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O36","formula_reduced":"Li2TiMn2O6","formula_anonymous":"AB2C2D6","energy":-520.38190394,"energy_per_atom":-7.884574302121212,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-475.63390394,"band_gap":0.9817,"is_gap_direct":false,"is_magnetic":true,"total_magnetization":47.9993883,"is_theoretical":true,"updated_at":"2021-11-28T01:36:19.144000Z","spacegroup":14},{"id":"mp-1190112","created_at":"2022-09-04T14:43:52.258069Z","structure_string":"Sm4 Ge10 Rh6\n1.0\n6.092425 5.815420 0.000000\n-6.092425 5.815420 0.000000\n0.000000 2.943394 5.215048\nSm Ge Rh\n4 10 6\ndirect\n0.866799 0.594302 0.767121 Sm\n0.405698 0.133201 0.732879 Sm\n0.133201 0.405698 0.232879 Sm\n0.594302 0.866799 0.267121 Sm\n0.068551 0.262576 0.833522 Ge\n0.737424 0.931449 0.666478 Ge\n0.931449 0.737424 0.166478 Ge\n0.262576 0.068551 0.333522 Ge\n0.213525 0.786475 0.750000 Ge\n0.786475 0.213525 0.250000 Ge\n0.506878 0.493122 0.750000 Ge\n0.493122 0.506878 0.250000 Ge\n0.777410 0.222590 0.750000 Ge\n0.222590 0.777410 0.250000 Ge\n0.256946 0.540065 0.615566 Rh\n0.459935 0.743054 0.884434 Rh\n0.743054 0.459935 0.384434 Rh\n0.540065 0.256946 0.115566 Rh\n0.001451 0.998549 0.750000 Rh\n0.998549 0.001451 0.250000 Rh\n","nsites":20,"nelements":3,"elements":["Sm","Ge","Rh"],"chemical_system":"Ge-Rh-Sm","density":8.741180200153348,"density_atomic":0.054121573261994495,"volume":369.53840759918364,"volume_molar":11.127061533942689,"formula_full":"Sm4 Ge10 Rh6","formula_reduced":"Sm2Ge5Rh3","formula_anonymous":"A2B3C5","energy":-125.49625832,"energy_per_atom":-6.274812916,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-125.49625832,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001037,"is_theoretical":false,"updated_at":"2021-11-28T01:36:20.328000Z","spacegroup":15}]}