Detail information of K2PHO4 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	K2PHO4
Full formula	K24P12H12O48
Tags	Potassium hydrogenphosphate
Constituent elements	H; K; O; P;
Number of elements	4
Number of sites	96
Volume	1,445.81653 Å³
Density	2.40052 g/cm³
Source	Materials Project

Space group

Spacegroup Number	33
Hermann Mauguin	Pna21
Hall	P 2c -2n
Crystal System	Orthorhombic

Lattice Parameters

a	22.815 Å	b	10.484 Å	c	6.045 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
-566.75195 eV	-5.90367 eV	-2.43171 eV	4.53250 eV	0.01098 eV	0.00000 eV