Detail information of KVH2SO7 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	KVH2SO7
Full formula	K4V4H8S4O28
Tags	Potassium aquasulfatovanadate
Constituent elements	H; K; O; S; V;
Number of elements	5
Number of sites	48
Volume	598.73264 Å³
Density	2.61940 g/cm³
Source	Materials Project

Space group

Spacegroup Number	19
Hermann Mauguin	P212121
Hall	P 2ac 2ab
Crystal System	Orthorhombic

Lattice Parameters

a	4.722 Å	b	10.869 Å	c	11.667 Å
α	90.000°	β	90.000°	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
-290.55253 eV	-6.05318 eV	-1.99196 eV	1.94340 eV	0.00000 eV	0.01933 eV