Detail information of NiH12(ClO6)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	NiH12(ClO6)2
Full formula	Ni4H48Cl8O48
Tags	Hexaaquanickel bis(chlorate(V))
Constituent elements	Cl; H; Ni; O;
Number of elements	4
Number of sites	108
Volume	1,372.52849 Å³
Density	1.61483 g/cm³
Source	Materials Project

Space group

Spacegroup Number	205
Hermann Mauguin	Pa-3
Hall	-P 2ac 2ab 3
Crystal System	Cubic

Lattice Parameters

a	11.113 Å	b	11.113 Å	c	11.113 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
-446.05530 eV	-4.13014 eV	-0.58212 eV	1.23200 eV	9.26605 eV	0.55815 eV