Detail information of ZnB8(H2N)4 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	ZnB8(H2N)4
Full formula	Zn2B16H16N8
Tags	Tetraamminezinc octaborane(8)
Constituent elements	B; H; N; Zn;
Number of elements	4
Number of sites	42
Volume	617.85703 Å³
Density	1.16097 g/cm³
Source	Materials Project

Space group

Spacegroup Number	137
Hermann Mauguin	P42/nmc
Hall	P 4n 2n -1n
Crystal System	Tetragonal

Lattice Parameters

a	7.483 Å	b	7.483 Å	c	11.033 Å
α	90.000°	β	90.000°	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
-190.08670 eV	-4.52587 eV	0.82785 eV	0.00000 eV	20.00038 eV	1.52249 eV