Theoretical Crystallography Open Database

Information card for entry 20001249

20001248 << 20001249 >> 20001250

Preview

Coordinates	20001249.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H2 O4 Zn
Calculated formula	C3 H2 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	4.18288798 Å
b	4.82749814 Å
c	5.26091337 Å
α	78.9905°
β	66.5896°
γ	64.405°
Cell volume	87.898 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
994 (current)	2016-03-07	cif/ Adding structures of 20001249 via cif-deposit CGI script.	20001249.cif