Theoretical Crystallography Open Database
- TCOD Home
- Accessing Data
- Add Your Data
- Documentation
Information card for entry 10000002
Preview
| Coordinates | 10000002.cif |
|---|---|
| External links | COD |
| Formula | K O3 Ta |
|---|---|
| Calculated formula | K O3 Ta |
| Title of publication | 'Relaxation of COD entry 5910018 using Quantum ESPRESSO and SSSP' |
| Authors of publication | Andrius Merkys |
| Journal of publication | Personal communication to TCOD |
| Year of publication | 2017 |
| a | 3.98702027238 Å |
| b | 3.98702027238 Å |
| c | 3.98702027238 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 63.38 Å3 |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P m -3 m |
| Hall symmetry space group | -P 4 2 3 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 1764 (current) | 2017-10-05 | cif/ Updating files of 10000002 Original log message: 'Recalculating with AiiDA v0.9.1' |
10000002.cif |
| 1666 | 2016-11-21 | cif/10/00/ Correcting/adding proper Subversion headers for TCOD entries in range 1*. |
10000002.cif |
| 1592 | 2016-11-04 | cif/ Updating files of 10000002 Original log message: Redepositing after a single-CPU, single-MPI thread relaxation with SSSP |
10000002.cif |
| 275 | 2015-06-16 | cif/ Replacing tag _cod_database_code -> _tcod_database_code. |
10000002.cif |
| 269 | 2015-05-21 | cif/ Updating files of 10000002 Original log message: Reducing symmetry. |
10000002.cif |
| 268 | 2015-05-21 | cif/ Adding structures of 10000002 via cif-deposit CGI script. |
10000002.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.