Theoretical Crystallography Open Database

Information card for entry 10000022

10000021 << 10000022 >> 10000023

Preview

Coordinates	10000022.cif

Structure parameters

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	2017
a	4.0924083163 Å
b	4.0924083163 Å
c	4.0924083163 Å
α	90°
β	90°
γ	90°
Cell volume	68.54 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 F_obs	No

Version history

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".	10000022.cif
1711	2017-04-12	cif/ Updating files of 10000022 Original log message: Adding pseudopotential files as they were given in computation tree.	10000022.cif
1693	2017-04-12	cif/ Updating files of 10000022 Original log message: Adding pseudopotential files as they were given in computation tree.	10000022.cif
1666	2016-11-21	cif/10/00/ Correcting/adding proper Subversion headers for TCOD entries in range 1*.	10000022.cif
1665	2016-11-21	cif/10/00/ Adding Rickard Armiento to the author list of TCOD entries 10000008-10000178.	10000022.cif
1658	2016-11-16	cif/10/00/00/ Updating author lists of entries from AiiDA tutorial.	10000022.cif
1618	2016-11-14	cif/ Adding structures of 10000022 via cif-deposit CGI script.	10000022.cif