Detail information of C6S3(N3Cl)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	C6S3(N3Cl)2
Full formula	C24S12N24Cl8
Tags	Trithiooctacyanodichloride
Constituent elements	C; Cl; N; S;
Number of elements	4
Number of sites	68
Volume	1,546.07304 Å³
Density	1.38854 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	7.910 Å	b	16.035 Å	c	12.348 Å
α	90.000°	β	99.160°	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
-446.54075 eV	-6.56678 eV	0.37199 eV	0.49970 eV	8.00000 eV	0.57956 eV