Theoretical Crystallography Open Database

Information card for entry 20001252

20001251 << 20001252 >> 20001253

Preview

Coordinates	20001252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 O4 Zn
Calculated formula	C4 H4 O4 Zn
Title of publication	A polymer dataset for accelerated property prediction and design
Authors of publication	Huan, Tran Doan; Mannodi-Kanakkithodi, Arun; Kim, Chiho; Sharma, Vinit; Pilania, Ghanshyam; Ramprasad, Rampi
Journal of publication	Sci. Data
Year of publication	2016
Journal volume	3
Pages of publication	160012
a	3.39862058 Å
b	4.405584 Å
c	7.26429169 Å
α	92.0703°
β	91.6089°
γ	104.442°
Cell volume	105.185 Å³
Number of distinct elements	4
Hermann-Mauguin symmetry space group	P 1
Hall symmetry space group	P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
997 (current)	2016-03-07	cif/ Adding structures of 20001252 via cif-deposit CGI script.	20001252.cif