Structure

Basic information

Pretty formulaK3Ca2Mg10Si16(HO12)4
Full formulaK3Ca2Mg10Si16H4O48
Tags
Constituent elementsCa; H; K; Mg; O; Si;
Number of elements6
Number of sites83
Volume913.16882 Å3
Density3.02201 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a16.346 Å b8.412 Å c8.206 Å
α117.888° β97.979° γ105.581°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-540.77625 eV -6.51538 eV -2.58537 eV 0.81090 eV 1.00000 eV 0.50032 eV