Detail information of Fe3P2H6O11 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Fe3P2H6O11
Full formula	Fe12P8H24O44
Tags	Triiron bis(phosphate(V)) trihydrate; Phosphoferrite
Constituent elements	Fe; H; O; P;
Number of elements	4
Number of sites	88
Volume	833.79395 Å³
Density	3.27827 g/cm³
Source	Materials Project

Space group

Spacegroup Number	60
Hermann Mauguin	Pbcn
Hall	-P 2n 2ab
Crystal System	Orthorhombic

Lattice Parameters

a	10.171 Å	b	7.068 Å	c	11.598 Å
α	90.000°	β	90.000°	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
-501.80088 eV	-5.70228 eV	-1.42962 eV	0.00000 eV	56.00584 eV	0.56029 eV