Crystallography Open Database

Information card for entry 1512495

Preview

Coordinates	1512495.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bismuth
Chemical name	Bismuth
Formula	Bi
Calculated formula	Bi
SMILES	[Bi]
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	4.6277 Å
b	4.62786 Å
c	4.91627 Å
α	118.074°
β	90.0036°
γ	119.995°
Cell volume	76.548 Å³
Number of distinct elements	1
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Method of determination	theoretical
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296113 (current)	2024-11-26	Changed the '_cell_formula_units_Z' data value from '2' to '4'. Added the '_chemical_name_common' and '_chemical_name_systematic' data items.	1512495.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1512495.cif
158438	2015-09-28	cif/1/51/ Marking structures 1512487-1512556 as theoretical according to the original publication, which indicates that the structures are results of equilibrium calculations.	1512495.cif
89434	2013-10-30	cif/ Adding structures of 1512495 via cif-deposit CGI script.	1512495.cif