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Information card for entry 10000178
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Coordinates | 10000178.cif |
---|
Formula | Cs O3 Ta |
---|---|
Calculated formula | Cs O3 Ta |
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 | 2016 |
a | 4.1386157195 Å |
b | 4.1386157195 Å |
c | 4.1386157195 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 70.89 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 |
---|---|---|---|
1666 (current) | 2016-11-21 | cif/10/00/ Correcting/adding proper Subversion headers for TCOD entries in range 1*. |
10000178.cif |
1665 | 2016-11-21 | cif/10/00/ Adding Rickard Armiento to the author list of TCOD entries 10000008-10000178. |
10000178.cif |
1664 | 2016-11-21 | cif/10/00/ Moving files of TCOD entries 100001* under proper prefix, cif/10/00/01/. |
10000178.cif |
1662 | 2016-11-17 | cif/10/00/00/ Manually inserting PBE structures from AiiDA tutorial. |
10000178.cif |
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Users of the data should acknowledge the original authors of the
structural data.