Theoretical Crystallography Open Database
- TCOD Home
- Accessing Data
- Add Your Data
- Documentation
Information card for entry 20000150
Preview
| Coordinates | 20000150.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Re |
|---|---|
| Calculated formula | Re |
| Title of publication | Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals |
| Authors of publication | Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S. |
| Journal of publication | Critical Reviews in Solid State and Materials Sciences |
| Year of publication | 2014 |
| Journal volume | 39 |
| Journal issue | 1 |
| Pages of publication | 1 |
| a | 2.77709 Å |
| b | 2.77716 Å |
| c | 4.47963 Å |
| α | 89.9921° |
| β | 89.9929° |
| γ | 60.0013° |
| Cell volume | 29.921 Å3 |
| Number of distinct elements | 1 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275 (current) | 2015-06-16 | cif/ Replacing tag _cod_database_code -> _tcod_database_code. |
20000150.cif |
| 161 | 2013-10-30 | cif/ Adding structures of 20000150 via cif-deposit CGI script. |
20000150.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.