Detail information of H8C2S3(NO3)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	H8C2S3(NO3)2
Full formula	H32C8S12N8O24
Tags	Bis(methylsulfamido) sulfone
Constituent elements	C; H; N; O; S;
Number of elements	5
Number of sites	84
Volume	982.96205 Å³
Density	1.70479 g/cm³
Source	Materials Project

Space group

Spacegroup Number	13
Hermann Mauguin	P2/c
Hall	-P 2yc
Crystal System	Monoclinic

Lattice Parameters

a	9.809 Å	b	9.895 Å	c	10.665 Å
α	90.000°	β	108.267°	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
-462.01633 eV	-5.50019 eV	-0.83082 eV	5.79140 eV	0.00000 eV	0.34463 eV