Detail information of Fe3H4(S2O9)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Fe3H4(S2O9)2
Full formula	Fe6H8S8O36
Tags	Iron(II) diiron(III) sulfate dihydrate
Constituent elements	Fe; H; O; S;
Number of elements	4
Number of sites	58
Volume	644.88971 Å³
Density	3.02716 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	5.192 Å	b	14.559 Å	c	8.542 Å
α	90.000°	β	92.840°	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
-349.91856 eV	-6.03308 eV	-1.79677 eV	1.18430 eV	28.00892 eV	0.01319 eV