Detail information of CrH14N4Cl3O | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	CrH14N4Cl3O
Full formula	Cr4H56N16Cl12O4
Tags	Tetraammineaquachlorochromium(III)chloride
Constituent elements	Cl; Cr; H; N; O;
Number of elements	5
Number of sites	92
Volume	979.34667 Å³
Density	1.65820 g/cm³
Source	Materials Project

Space group

Spacegroup Number	62
Hermann Mauguin	Pnma
Hall	-P 2ac 2n
Crystal System	Orthorhombic

Lattice Parameters

a	13.389 Å	b	10.697 Å	c	6.838 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
-456.64572 eV	-4.96354 eV	-0.92934 eV	3.26180 eV	12.00000 eV	0.00142 eV