Detail information of FeP2H2O9 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	FeP2H2O9
Full formula	Fe4P8H8O36
Tags	Iron(III) oxonium bis(hydrogenphosphate(V))
Constituent elements	Fe; H; O; P;
Number of elements	4
Number of sites	56
Volume	671.19493 Å³
Density	2.61060 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	5.258 Å	b	8.733 Å	c	14.673 Å
α	90.000°	β	94.990°	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
-344.72077 eV	-6.15573 eV	-1.79023 eV	0.00000 eV	32.00000 eV	0.22289 eV