Detail information of Cu9P4(HO10)2

Structure

Basic information

Pretty formulaCu9P4(HO10)2
Full formulaCu9P4H2O20
TagsNonacopper tetrakis(phosphate(V)) dioxide dihydroxide
Constituent elementsCu; H; O; P;
Number of elements4
Number of sites35
Volume387.18972 Å3
Density4.36509 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a8.235 Å b8.932 Å c5.956 Å
α102.098° β94.315° γ113.336°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-208.59302 eV -5.95980 eV -1.68396 eV 0.01480 eV 0.82367 eV 0.00000 eV