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

Structure

Basic information

Pretty formula	CrH14N4Cl3O
Full formula	Cr2H28N8Cl6O2
Tags	Tetraammineaquachlorochromium chloride
Constituent elements	Cl; Cr; H; N; O;
Number of elements	5
Number of sites	46
Volume	498.91295 Å³
Density	1.62750 g/cm³
Source	Materials Project

Space group

Spacegroup Number	11
Hermann Mauguin	P21/m
Hall	-P 2yb
Crystal System	Monoclinic

Lattice Parameters

a	6.858 Å	b	10.752 Å	c	6.835 Å
α	90.000°	β	98.137°	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
-228.38794 eV	-4.96496 eV	-0.93076 eV	3.18290 eV	6.00000 eV	0.00000 eV