Detail information of VH8N2O5F | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	VH8N2O5F
Full formula	V4H32N8O20F4
Tags	Ammonium fluorooxodiperoxovanadate
Constituent elements	F; H; N; O; V;
Number of elements	5
Number of sites	68
Volume	580.54247 Å³
Density	2.12824 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	6.210 Å	b	11.506 Å	c	8.124 Å
α	90.000°	β	89.669°	γ	90.000°

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Style

Calculated Energies

Total energy	Energy per atom	Formation energy per atom	Band gap	Total magnetization	Energy above hull
-367.07959 eV	-5.39823 eV	-1.17439 eV	2.36700 eV	0.00000 eV	0.31091 eV