Detail information of VPH5NO6 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	VPH5NO6
Full formula	V4P4H20N4O24
Tags	Ammonium dioxovanadium hydrogenphosphate - alpha
Constituent elements	H; N; O; P; V;
Number of elements	5
Number of sites	56
Volume	609.19993 Å³
Density	2.14745 g/cm³
Source	Materials Project

Space group

Spacegroup Number	29
Hermann Mauguin	Pca21
Hall	P 2c -2ac
Crystal System	Orthorhombic

Lattice Parameters

a	6.879 Å	b	9.664 Å	c	9.163 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
-347.69695 eV	-6.20887 eV	-1.75519 eV	2.35920 eV	0.00000 eV	0.06947 eV