Crystallography Open Database

Information card for entry 1512493

Preview

Coordinates	1512493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba
Calculated formula	Ba
SMILES	[Ba]
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	5.02792 Å
b	5.02792 Å
c	5.02792 Å
α	90°
β	90°
γ	90°
Cell volume	127.106 Å³
Number of distinct elements	1
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Method of determination	theoretical
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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