Detail information of K2NaNb2Fe7Si8H4O31

Structure

Basic information

Pretty formulaK2NaNb2Fe7Si8H4O31
Full formulaK2Na1Nb2Fe7Si8H4O31
TagsDipotassium sodium heptairon diniobooctasilicate trioxide tetrahydroxide;
Niobophyllite
Constituent elementsFe; H; K; Na; Nb; O; Si;
Number of elements7
Number of sites55
Volume698.05222 Å3
Density3.33656 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a5.492 Å b11.885 Å c12.118 Å
α112.875° β102.732° γ94.835°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-393.95936 eV -7.16290 eV -2.59142 eV 0.15040 eV 27.00000 eV 0.01133 eV