Structure

Basic information

Pretty formulaMg21FeSi12(HO16)3
Full formulaMg21Fe1Si12H3O48
Tags
Constituent elementsFe; H; Mg; O; Si;
Number of elements5
Number of sites85
Volume907.46631 Å3
Density3.06369 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a5.765 Å b7.808 Å c24.127 Å
α97.064° β109.590° γ112.228°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-565.67950 eV -6.65505 eV -2.92314 eV 1.67360 eV 5.00000 eV 0.18372 eV