Detail information of NiH12(BrO6)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	NiH12(BrO6)2
Full formula	Ni4H48Br8O48
Tags	Hexaaquanickel trioxobromate(V)
Constituent elements	Br; H; Ni; O;
Number of elements	4
Number of sites	108
Volume	1,537.16247 Å³
Density	1.82603 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	11.541 Å	b	11.541 Å	c	11.541 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
-447.04589 eV	-4.13931 eV	-0.56362 eV	0.00000 eV	40.00246 eV	0.47357 eV