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Information card for entry 1574069
Preview
| Coordinates | 1574069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Mn0.2 O3 Sr Ti0.8 |
|---|---|
| Calculated formula | Mn0.05 O0.75 Sr0.25 Ti0.2 |
| Title of publication | Lattice parameters and bulk modulus of SrTi1-xMnxO3 perovskites: A comparison of exchange-correlation functionals with experimental validation |
| Authors of publication | Lebeda, Miroslav; Drahokoupil, Jan; Kamba, Stanislav; Svoboda, Šimon; Smola, Vojtěch; Dabrowski, Bogdan; Vlčák, Petr |
| Journal of publication | Computational Condensed Matter |
| Year of publication | 2025 |
| Journal volume | 43 |
| Pages of publication | e01030 |
| a | 3.8874 Å |
| b | 3.8874 Å |
| c | 3.8874 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 58.746 Å3 |
| Number of distinct elements | 4 |
| Space group number | 221 |
| Hermann-Mauguin space group symbol | P m -3 m |
| Hall space group symbol | -P 4 2 3 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298325 (current) | 2025-03-07 | cif/ Adding structures of 1574069 via cif-deposit CGI script. |
1574069.cif |
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Users of the data should acknowledge the original authors of the
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