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Information card for entry 20000636
Preview
| Coordinates | 20000636.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | O7 Ti2 Y2 |
|---|---|
| Calculated formula | O7 Ti2 Y2 |
| Title of publication | First-principles study of structural, elastic, and bonding properties of pyrochlores |
| Authors of publication | Pruneda, J. M.; Artacho, Emilio |
| Journal of publication | Physical Review B |
| Year of publication | 2005 |
| Journal volume | 72 |
| Journal issue | 8 |
| Pages of publication | 085107 |
| a | 9.974 Å |
| b | 9.974 Å |
| c | 9.974 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 992.22 Å3 |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | F d -3 m :2 |
| Hall symmetry space group | -F 4vw 2vw 3 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 513 (current) | 2015-10-16 | cif/ Redefining units of _dft_bulk_modulus as gigapascals in cif_dft.dic. Accordingly, changing the values in CIF files. |
20000636.cif |
| 511 | 2015-10-15 | cif/ Adding structures of 20000636 via cif-deposit CGI script. |
20000636.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.