Structure

Basic information

Pretty formulaK2FeH4(SO5)2
Full formulaK4Fe2H8S4O20
TagsDipotassium iron bis(sulfate(VI)) dihydrate - LT
Constituent elementsFe; H; K; O; S;
Number of elements5
Number of sites38
Volume463.83893 Å3
Density2.59333 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a7.411 Å b10.974 Å c6.581 Å
α108.674° β110.489° γ94.514°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-215.25316 eV -5.66456 eV -1.90283 eV 4.25470 eV 8.00000 eV 0.00325 eV