Detail information of Ca2Al2FeSi3HO13

Structure

Basic information

Pretty formulaCa2Al2FeSi3HO13
Full formulaCa4Al4Fe2Si6H2O26
TagsEpidote;
Calcium aluminium iron hydrogen silicon oxide (2/2/1/1/3/13);
Dicalcium dialuminium iron(III
Constituent elementsAl; Ca; Fe; H; O; Si;
Number of elements6
Number of sites44
Volume477.11051 Å3
Density3.36361 g/cm3
Source Materials Project

Space group

Spacegroup Number11
Hermann MauguinP21/m
Hall-P 2yb
Crystal SystemMonoclinic

Lattice Parameters

a9.001 Å b5.718 Å c10.258 Å
α90.000° β115.354° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-321.00960 eV -7.29567 eV -3.12434 eV 2.54320 eV 10.00000 eV 0.00968 eV