Structure

Basic information

Pretty formulaCa3Zr2Fe2SiO12
Full formulaCa12Zr8Fe8Si4O48
Tags
Constituent elementsCa; Fe; O; Si; Zr;
Number of elements5
Number of sites80
Volume1,045.20303 Å3
Density4.03187 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a11.074 Å b11.074 Å c11.074 Å
α110.547° β108.936° γ108.936°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-618.90366 eV -7.73630 eV -3.19758 eV 2.77730 eV 40.00000 eV 0.00000 eV