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Information card for entry 10000012
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| Coordinates | 10000012.cif |
|---|
| Formula | O3 Pb Ti |
|---|---|
| Calculated formula | O3 Pb Ti |
| Title of publication | Tutorial material of "Tutorial on high-throughput computations: General methods and applications using AiiDA, June-July, 2016" |
| Authors of publication | Nicolas Mounet; Andrea Cepellotti; Andrius Merkys; Rickard Armiento; Giovanni Pizzi |
| Journal of publication | Personal communication to TCOD |
| Year of publication | 2017 |
| a | 3.9202770238 Å |
| b | 3.9202770238 Å |
| c | 3.9202770238 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 60.25 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 |
|---|---|---|---|
| 1748 (current) | 2017-04-13 | cif/10/00/00/ Adding missing author names to the CIFs from "Tutorial on high-throughput computations: General methods and applications using AiiDA, June-July, 2016". |
10000012.cif |
| 1683 | 2017-04-12 | cif/ Updating files of 10000012 Original log message: Adding pseudopotential files as they were given in computation tree. |
10000012.cif |
| 1666 | 2016-11-21 | cif/10/00/ Correcting/adding proper Subversion headers for TCOD entries in range 1*. |
10000012.cif |
| 1665 | 2016-11-21 | cif/10/00/ Adding Rickard Armiento to the author list of TCOD entries 10000008-10000178. |
10000012.cif |
| 1658 | 2016-11-16 | cif/10/00/00/ Updating author lists of entries from AiiDA tutorial. |
10000012.cif |
| 1608 | 2016-11-14 | cif/ Adding structures of 10000012 via cif-deposit CGI script. |
10000012.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.