Detail information of CrH9C6(S2O)3 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	CrH9C6(S2O)3
Full formula	Cr4H36C24S24O12
Tags	Tris(methyldithiocarbonato)chromium(III)
Constituent elements	C; Cr; H; O; S;
Number of elements	5
Number of sites	100
Volume	1,518.68133 Å³
Density	1.63364 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	9.779 Å	b	14.070 Å	c	11.545 Å
α	90.000°	β	107.053°	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
-558.53475 eV	-5.58535 eV	-0.40123 eV	2.62210 eV	12.00000 eV	0.21793 eV