Theoretical Crystallography Open Database

Information card for entry 20001254

20001253 << 20001254 >> 20001255

Preview

Coordinates	20001254.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	3.60079123 Å
b	4.29422417 Å
c	7.29056145 Å
α	78.0353°
β	88.1053°
γ	75.5589°
Cell volume	106.777 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
999 (current)	2016-03-07	cif/ Adding structures of 20001254 via cif-deposit CGI script.	20001254.cif