Detail information of CrO2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	CrO2
Full formula	Cr2O4
Tags	Guyanaite; Chromium oxide hydroxide; Chromium(IV) oxide - beta
Constituent elements	Cr; O;
Number of elements	2
Number of sites	6
Volume	61.27614 Å³
Density	4.55240 g/cm³
Source	Materials Project

Space group

Spacegroup Number	58
Hermann Mauguin	Pnnm
Hall	-P 2 2n
Crystal System	Orthorhombic

Lattice Parameters

a	2.945 Å	b	4.512 Å	c	4.612 Å
α	89.998°	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
-44.00025 eV	-7.33338 eV	-1.96937 eV	0.00000 eV	0.00000 eV	0.08491 eV