Crystallography Open Database

Information card for entry 1512547

Preview

Coordinates	1512547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ti
Calculated formula	Ti
SMILES	[Ti]
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	2.93664 Å
b	2.93664 Å
c	4.65193 Å
α	90°
β	90°
γ	120°
Cell volume	34.743 Å³
Number of distinct elements	1
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Method of determination	theoretical
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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