Structure

Basic information

Pretty formulaCa2Al4Si8H14O31
Full formulaCa2Al4Si8H14O31
Tags
Constituent elementsAl; Ca; H; O; Si;
Number of elements5
Number of sites59
Volume794.52788 Å3
Density1.92875 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a9.291 Å b8.981 Å c9.844 Å
α90.394° β77.865° γ81.970°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-364.16630 eV -6.17231 eV -2.12182 eV 2.86990 eV 0.00000 eV 0.55828 eV