Detail information of FeH10S2NO11 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	FeH10S2NO11
Full formula	Fe4H40S8N4O44
Tags	Iron(III) ammonium sulfate trihydrate
Constituent elements	Fe; H; N; O; S;
Number of elements	5
Number of sites	100
Volume	1,329.50706 Å³
Density	1.59898 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	11.166 Å	b	11.933 Å	c	10.020 Å
α	90.000°	β	95.285°	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
-498.70671 eV	-4.98707 eV	-0.95110 eV	0.04290 eV	33.88632 eV	0.56513 eV