Detail information of K2ZrSi3(HO5)2

Structure

Basic information

Pretty formulaK2ZrSi3(HO5)2
Full formulaK8Zr4Si12H8O40
TagsDipotassium zirconium tris(catena-silicate) hydrate;
Umbite
Constituent elementsH; K; O; Si; Zr;
Number of elements5
Number of sites72
Volume1,030.31080 Å3
Density2.67983 g/cm3
Source Materials Project

Space group

Spacegroup Number19
Hermann MauguinP212121
HallP 2ac 2ab
Crystal SystemOrthorhombic

Lattice Parameters

a10.443 Å b13.537 Å c7.289 Å
α90.000° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-514.74136 eV -7.14919 eV -2.93615 eV 4.93280 eV 0.00843 eV 0.00000 eV