Detail information of MnPH6NO5

Structure

Basic information

Pretty formulaMnPH6NO5
Full formulaMn2P2H12N2O10
TagsTetradeuterioammonium manganese phosphate(V) dideuteriohydrate;
Niahite
Constituent elementsH; Mn; N; O; P;
Number of elements5
Number of sites28
Volume253.82972 Å3
Density2.43312 g/cm3
Source Materials Project

Space group

Spacegroup Number31
Hermann MauguinPmn21
HallP 2ac -2
Crystal SystemOrthorhombic

Lattice Parameters

a5.774 Å b8.952 Å c4.911 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-169.43260 eV -6.05116 eV -1.66254 eV 3.06390 eV 10.00000 eV 0.00194 eV