Structure

Basic information

Pretty formulaK2FeP2H3(O4F)2
Full formulaK4Fe2P4H6O16F4
Tags
Constituent elementsF; Fe; H; K; O; P;
Number of elements6
Number of sites36
Volume518.51608 Å3
Density2.33784 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a8.502 Å b7.199 Å c8.619 Å
α92.550° β79.990° γ92.926°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-190.07395 eV -5.27983 eV -1.65970 eV 0.44480 eV 8.00000 eV 0.73891 eV