Detail information of ZnH2(CO2)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	ZnH2(CO2)2
Full formula	Zn12H24C24O48
Tags	Zinc diformate - beta
Constituent elements	C; H; O; Zn;
Number of elements	4
Number of sites	108
Volume	1,344.91610 Å³
Density	2.30308 g/cm³
Source	Materials Project

Space group

Spacegroup Number	4
Hermann Mauguin	P21
Hall	P 2yb
Crystal System	Monoclinic

Lattice Parameters

a	7.799 Å	b	13.806 Å	c	12.756 Å
α	90.000°	β	101.700°	γ	90.000°

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Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-664.61411 eV	-6.15383 eV	-1.36100 eV	4.38910 eV	0.00000 eV	0.12180 eV