Detail information of Na2PH5O6 | Catalyst Database, First database in catalyst field

Structure

Basic information

Pretty formula	Na2PH5O6
Full formula	Na16P8H40O48
Tags	Disodium hydrogenphosphate(V) dihydrate; Dorfmanite
Constituent elements	H; Na; O; P;
Number of elements	4
Number of sites	112
Volume	1,168.93875 Å³
Density	2.02275 g/cm³
Source	Materials Project

Space group

Spacegroup Number	61
Hermann Mauguin	Pbca
Hall	-P 2ac 2ab
Crystal System	Orthorhombic

Lattice Parameters

a	17.087 Å	b	10.388 Å	c	6.585 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
-616.79715 eV	-5.50712 eV	-1.96219 eV	4.72430 eV	0.00126 eV	0.00413 eV