Detail information of H2S | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	H2S
Full formula	H32S16
Tags	Dideuterium sulfide - low phase
Constituent elements	H; S;
Number of elements	2
Number of sites	48
Volume	798.18452 Å³
Density	1.13443 g/cm³
Source	Materials Project

Space group

Spacegroup Number	77
Hermann Mauguin	P42
Hall	P 4c
Crystal System	Tetragonal

Lattice Parameters

a	13.655 Å	b	13.655 Å	c	4.280 Å
α	90.000°	β	90.000°	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
-181.18197 eV	-3.77462 eV	-0.45999 eV	4.02990 eV	0.00956 eV	0.01190 eV