Structure

Basic information

Pretty formulaKBaCr2(PO4)3
Full formulaK8Ba8Cr16P24O96
Tags
Constituent elementsBa; Cr; K; O; P;
Number of elements5
Number of sites152
Volume1,966.51803 Å3
Density3.81895 g/cm3
Source Materials Project

Space group

Spacegroup Number4
Hermann MauguinP21
HallP 2yb
Crystal SystemMonoclinic

Lattice Parameters

a9.942 Å b9.945 Å c19.890 Å
α90.000° β89.929° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,108.62349 eV -7.29358 eV -2.80457 eV 2.72490 eV 48.00001 eV 0.00000 eV