Crystallography Open Database

Information card for entry 1512512

Preview

Coordinates	1512512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	I
Calculated formula	I
SMILES	II
Title of publication	Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals
Authors of publication	Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S.
Journal of publication	Critical Reviews in Solid State and Materials Sciences
Year of publication	2014
Journal volume	39
Journal issue	1
Pages of publication	1
a	8.57701 Å
b	4.55422 Å
c	10.18381 Å
α	90°
β	90°
γ	90°
Cell volume	397.796 Å³
Number of distinct elements	1
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Method of determination	theoretical
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1512512.html