Crystallography Open Database

Information card for entry 1512496

Preview

Coordinates	1512496.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br
Calculated formula	Br
SMILES	BrBr
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	8.2286 Å
b	4.22731 Å
c	9.03323 Å
α	90°
β	90°
γ	90°
Cell volume	314.219 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

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