Detail information of CaAl2Si2(H2O5)2

Structure

Basic information

Pretty formulaCaAl2Si2(H2O5)2
Full formulaCa2Al4Si4H8O20
TagsCalcium dialuminium disilicate dihydroxide hydrate;
Potassium dialuminium disilicate dihydroxide hyd
Constituent elementsAl; Ca; H; O; Si;
Number of elements5
Number of sites38
Volume348.05976 Å3
Density2.99836 g/cm3
Source Materials Project

Space group

Spacegroup Number63
Hermann MauguinCmcm
Hall-C 2c 2
Crystal SystemOrthorhombic

Lattice Parameters

a5.352 Å b5.352 Å c13.215 Å
α90.000° β90.000° γ66.867°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-256.52803 eV -6.75074 eV -2.76986 eV 5.13850 eV 0.00000 eV 0.02468 eV