Detail information of SrPHO4

Structure

Basic information

Pretty formulaSrPHO4
Full formulaSr16P16H16O64
TagsStrontium hydrogenphosphate(V) - gamma
Constituent elementsH; O; P; Sr;
Number of elements4
Number of sites112
Volume1,411.92054 Å3
Density3.45486 g/cm3
Source Materials Project

Space group

Spacegroup Number61
Hermann MauguinPbca
Hall-P 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a8.194 Å b9.428 Å c18.276 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-756.01056 eV -6.75009 eV -2.85555 eV 5.20090 eV 0.00000 eV 0.00054 eV