Detail information of Cs2Na4Si12Cu2H4O31

Structure

Basic information

Pretty formulaCs2Na4Si12Cu2H4O31
Full formulaCs4Na8Si24Cu4H8O62
TagsDicesium tetrasodium dihydroxyheptacosaoxydicuprododecasilicate dihydroxide
Constituent elementsCs; Cu; H; Na; O; Si;
Number of elements6
Number of sites110
Volume1,567.92778 Å3
Density2.79996 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a13.113 Å b13.113 Å c18.320 Å
α67.962° β112.038° γ147.264°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-749.66402 eV -6.81513 eV -2.73415 eV 2.18800 eV -3.99931 eV 0.00857 eV