Detail information of VH8C2N2O6F | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	VH8C2N2O6F
Full formula	V4H32C8N8O24F4
Tags	Diammonium dioxofluorooxalatovanadate
Constituent elements	C; F; H; N; O; V;
Number of elements	6
Number of sites	80
Volume	797.37220 Å³
Density	1.88288 g/cm³
Source	Materials Project

Space group

Spacegroup Number	14
Hermann Mauguin	P21/c
Hall	-P 2ybc
Crystal System	Monoclinic

Lattice Parameters

a	11.444 Å	b	9.584 Å	c	7.299 Å
α	90.000°	β	95.024°	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
-487.56134 eV	-6.09452 eV	-1.37004 eV	3.13620 eV	0.00000 eV	0.08668 eV