Detail information of CuH8(ClO5)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	CuH8(ClO5)2
Full formula	Cu4H32Cl8O40
Tags	Tetraaquacopper chlorate
Constituent elements	Cl; Cu; H; O;
Number of elements	4
Number of sites	84
Volume	916.08658 Å³
Density	2.19337 g/cm³
Source	Materials Project

Space group

Spacegroup Number	61
Hermann Mauguin	Pbca
Hall	-P 2ac 2ab
Crystal System	Orthorhombic

Lattice Parameters

a	12.949 Å	b	9.658 Å	c	7.325 Å
α	90.000°	β	89.999°	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
-387.81386 eV	-4.61683 eV	-1.05222 eV	4.07350 eV	4.01218 eV	0.01706 eV