Detail information of MgPHO9

Structure

Basic information

Pretty formulaMgPHO9
Full formulaMg1P1H1O9
TagsMagnesium hydrogenphosphate hexahydrate
Constituent elementsH; Mg; O; P;
Number of elements4
Number of sites12
Volume154.21445 Å3
Density2.15657 g/cm3
Source Materials Project

Space group

Spacegroup Number146
Hermann MauguinR3
HallR 3
Crystal SystemHexagonal

Lattice Parameters

a5.391 Å b5.374 Å c5.339 Å
α92.482° β92.523° γ92.579°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-61.56313 eV -5.13026 eV -1.10212 eV 0.02870 eV 4.37819 eV 0.44603 eV