Structure

Basic information

Pretty formulaNaFe9Si6B3H2O31
Full formulaNa1Fe9Si6B3H2O31
Tags
Constituent elementsB; Fe; H; Na; O; Si;
Number of elements6
Number of sites52
Volume590.26690 Å3
Density3.44487 g/cm3
Source Materials Project

Space group

Spacegroup Number8
Hermann MauguinCm
HallC -2y
Crystal SystemMonoclinic

Lattice Parameters

a9.798 Å b9.798 Å c9.801 Å
α113.666° β113.666° γ113.313°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-373.07939 eV -7.17460 eV -2.49840 eV 0.85080 eV 44.00000 eV 0.00000 eV