Detail information of CrHSe3O8 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	CrHSe3O8
Full formula	Cr4H4Se12O32
Tags	Chromium dioxohydroxoselenate diselenate - I
Constituent elements	Cr; H; O; Se;
Number of elements	4
Number of sites	52
Volume	846.54662 Å³
Density	3.27876 g/cm³
Source	Materials Project

Space group

Spacegroup Number	14
Hermann Mauguin	P21/c
Hall	-P 2ybc
Crystal System	Monoclinic

Lattice Parameters

a	7.824 Å	b	14.021 Å	c	7.727 Å
α	90.000°	β	92.892°	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
-283.89503 eV	-5.45952 eV	-1.21339 eV	0.26990 eV	8.00000 eV	0.25382 eV