Structure

Basic information

Pretty formulaErPO4
Full formulaEr2P2O8
TagsXenotime-(Er);
Erbium phosphate(V)
Constituent elementsEr; O; P;
Number of elements3
Number of sites12
Volume143.77225 Å3
Density6.05741 g/cm3
Source Materials Project

Space group

Spacegroup Number141
Hermann MauguinI41/amd
HallI 4bw 2bw -1bw
Crystal SystemTetragonal

Lattice Parameters

a5.740 Å b5.740 Å c5.740 Å
α105.957° β105.957° γ116.755°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-96.18687 eV -8.01557 eV -3.53094 eV 5.91960 eV 0.00000 eV 0.00000 eV