Structure

Basic information

Pretty formulaCa3Hf2Fe2SiO12
Full formulaCa12Hf8Fe8Si4O48
Tags
Constituent elementsCa; Fe; Hf; O; Si;
Number of elements5
Number of sites80
Volume1,024.11829 Å3
Density5.24684 g/cm3
Source Materials Project

Space group

Spacegroup Number142
Hermann MauguinI41/acd
HallI 4bw 2aw -1bw
Crystal SystemTetragonal

Lattice Parameters

a10.999 Å b10.999 Å c10.999 Å
α110.346° β109.036° γ109.036°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-636.17325 eV -7.95217 eV -3.27294 eV 2.80590 eV 40.00000 eV 0.00000 eV