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Information card for entry 1573720
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| Coordinates | 1573720.cif |
|---|
| Common name | New structure |
|---|---|
| Formula | Ba2 Cl6 Fe2 |
| Calculated formula | Ba2 Cl6 Fe2 |
| Title of publication | A first-principles investigation of the structural, optoelectronic, elastic and thermal properties of the p-type half-metallic ferromagnetic perovskites BaFeX3 (X = Cl, Br, I) |
| Authors of publication | Farhan Noor |
| Journal of publication | Physica Scripta |
| Year of publication | 2024 |
| Journal volume | 99 |
| Pages of publication | 125962 |
| a | 6.81558 Å |
| b | 6.81558 Å |
| c | 5.365548 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 215.849 Å3 |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297389 (current) | 2025-01-21 | cif/ Adding structures of 1573720 via cif-deposit CGI script. |
1573720.cif |
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Users of the data should acknowledge the original authors of the
structural data.