Crystallography Open Database

Information card for entry 1512505

Preview

Coordinates	1512505.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F
Calculated formula	F
SMILES	FF
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	6.1631 Å
b	6.92543 Å
c	3.68505 Å
α	90°
β	90°
γ	83.2246°
Cell volume	156.187 Å³
Number of distinct elements	1
Space group number	15
Hermann-Mauguin space group symbol	B 1 1 2/b
Hall space group symbol	-B 2b
Method of determination	theoretical
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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