Detail information of FeH8(ClO2)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	FeH8(ClO2)2
Full formula	Fe2H16Cl4O8
Tags	Iron chloride tetrahydrate
Constituent elements	Cl; Fe; H; O;
Number of elements	4
Number of sites	30
Volume	356.16664 Å³
Density	1.85383 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	5.832 Å	b	7.325 Å	c	9.184 Å
α	90.000°	β	114.795°	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
-142.88726 eV	-4.76291 eV	-1.35714 eV	3.79710 eV	8.00000 eV	0.05050 eV