Structure

Basic information

Pretty formulaCa5TaTi3Al(SiO5)5
Full formulaCa10Ta2Ti6Al2Si10O50
Tags
Constituent elementsAl; Ca; O; Si; Ta; Ti;
Number of elements6
Number of sites80
Volume946.22770 Å3
Density3.83388 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a5.483 Å b27.530 Å c7.116 Å
α104.263° β103.802° γ105.809°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-642.62865 eV -8.03286 eV -3.47668 eV 2.87490 eV 0.00004 eV 0.00606 eV