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Information card for entry 10000005
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| Coordinates | 10000005.cif |
|---|
| Formula | O3 Sr Zr |
|---|---|
| Calculated formula | O3 Sr Zr |
| Title of publication | 'Relaxation of COD entry 1010424 using Quantum ESPRESSO and SSSP' |
| Authors of publication | Andrius Merkys |
| Journal of publication | Personal communication to TCOD |
| Year of publication | 2017 |
| a | 4.13052913133 Å |
| b | 4.13052913133 Å |
| c | 4.13052913133 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 70.47 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 |
|---|---|---|---|
| 1761 (current) | 2017-10-05 | cif/ Updating files of 10000005 Original log message: 'Recalculating with AiiDA v0.9.1' |
10000005.cif |
| 1666 | 2016-11-21 | cif/10/00/ Correcting/adding proper Subversion headers for TCOD entries in range 1*. |
10000005.cif |
| 1600 | 2016-11-10 | cif/ Updating files of 10000005 Original log message: Redepositing after fixing a bug in carriage return symbol escaping in AiiDA TCOD exporter |
10000005.cif |
| 1596 | 2016-11-07 | cif/ Updating files of 10000005 Original log message: Redepositing after a single-CPU, single-MPI thread relaxation with SSSP |
10000005.cif |
| 288 | 2015-08-17 | cif/ Adding structures of 10000005 via cif-deposit CGI script. |
10000005.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.