Detail information of FeP3(HO5)2 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	FeP3(HO5)2
Full formula	Fe4P12H8O40
Tags	Iron(III) dihydrogen triphosphate
Constituent elements	Fe; H; O; P;
Number of elements	4
Number of sites	64
Volume	777.72337 Å³
Density	2.65419 g/cm³
Source	Materials Project

Space group

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

Lattice Parameters

a	7.480 Å	b	8.932 Å	c	12.590 Å
α	90.000°	β	112.394°	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
-432.50498 eV	-6.75789 eV	-2.33568 eV	2.94860 eV	20.00000 eV	0.00000 eV