Structure

Basic information

Pretty formulaCa3Y9Al18CrSiO48
Full formulaCa3Y9Al18Cr1Si1O48
Tags
Constituent elementsAl; Ca; Cr; O; Si; Y;
Number of elements6
Number of sites80
Volume893.37131 Å3
Density4.18978 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a10.497 Å b10.538 Å c10.499 Å
α109.468° β109.545° γ109.464°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-632.65863 eV -7.90823 eV -3.55923 eV 0.65990 eV 1.00000 eV 0.02164 eV