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Information card for entry 10000004
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| Coordinates | 10000004.cif |
|---|---|
| External links | COD |
| Formula | Ca O3 Ta |
|---|---|
| Calculated formula | Ca O3 Ta |
| Title of publication | 'Relaxation of COD entry 1001186 using Quantum ESPRESSO and SSSP' |
| Authors of publication | Andrius Merkys |
| Journal of publication | Personal communication to TCOD |
| Year of publication | 2017 |
| a | 3.98802958473 Å |
| b | 3.98802958473 Å |
| c | 3.98802958473 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 63.43 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 |
|---|---|---|---|
| 1760 (current) | 2017-10-05 | cif/ Updating files of 10000004 Original log message: 'Recalculating with AiiDA v0.9.1' |
10000004.cif |
| 1666 | 2016-11-21 | cif/10/00/ Correcting/adding proper Subversion headers for TCOD entries in range 1*. |
10000004.cif |
| 1595 | 2016-11-07 | cif/ Updating files of 10000004 Original log message: Redepositing after a single-CPU, single-MPI thread relaxation with SSSP |
10000004.cif |
| 287 | 2015-08-12 | cif/ Adding structures of 10000004 via cif-deposit CGI script. |
10000004.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.