Detail information of Mg2Cu2P2(H4O5)3

Structure

Basic information

Pretty formulaMg2Cu2P2(H4O5)3
Full formulaMg4Cu4P4H24O30
TagsDicopper dimagnesium bis(phosphate) dihydroxide pentahydrate;
Nissonite
Constituent elementsCu; H; Mg; O; P;
Number of elements5
Number of sites66
Volume597.22313 Å3
Density2.72336 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a11.606 Å b11.606 Å c10.637 Å
α79.953° β100.047° γ154.937°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-371.54385 eV -5.62945 eV -1.85459 eV 0.32360 eV -4.00000 eV 0.01952 eV