Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1568223
Preview
| Coordinates | 1568223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Mg P2 Si |
|---|---|
| Calculated formula | Mg P2 Si |
| Title of publication | Uncovering a Vital Band Gap Mechanism of Pnictides. |
| Authors of publication | Chen, Jindong; Wu, Qingchen; Tian, Haotian; Jiang, Xiaotian; Xu, Feng; Zhao, Xin; Lin, Zheshuai; Luo, Min; Ye, Ning |
| Journal of publication | Advanced science (Weinheim, Baden-Wurttemberg, Germany) |
| Year of publication | 2022 |
| Journal volume | 9 |
| Journal issue | 14 |
| Pages of publication | e2105787 |
| a | 5.7156 ± 0.0005 Å |
| b | 5.7156 ± 0.0005 Å |
| c | 10.074 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 329.1 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 122 |
| Hermann-Mauguin space group symbol | I -4 2 d |
| Hall space group symbol | I -4 2bw |
| Residual factor for all reflections | 0.033 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0866 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.212 |
| Diffraction radiation wavelength | 1.3414 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280126 (current) | 2023-01-05 | cif/ Adding structures of 1568223 via cif-deposit CGI script. |
1568223.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.