Detail information of Ca6Al7O16

Structure

Basic information

Pretty formulaCa6Al7O16
Full formulaCa12Al14O32
TagsCalcium aluminium oxide (12/14/33);
Mayenite;
Calcium aluminium oxide (12/14/32)
Constituent elementsAl; Ca; O;
Number of elements3
Number of sites58
Volume885.78388 Å3
Density2.56951 g/cm3
Source Materials Project

Space group

Spacegroup Number220
Hermann MauguinI-43d
HallI -4bd 2c 3
Crystal SystemCubic

Lattice Parameters

a10.479 Å b10.479 Å c10.479 Å
α109.471° β109.471° γ109.471°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-410.56494 eV -7.07871 eV -3.42491 eV 0.00000 eV 0.00005 eV 0.00000 eV