Detail information of KNiH9(CO5)2

Structure

Basic information

Pretty formulaKNiH9(CO5)2
Full formulaK1Ni1H9C2O10
TagsPotassium nickel hydrogenbis(carbonate) tetrahydrate
Constituent elementsC; H; K; Ni; O;
Number of elements5
Number of sites23
Volume210.71370 Å3
Density2.29228 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a5.343 Å b6.685 Å c6.995 Å
α116.231° β89.835° γ107.875°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-130.37385 eV -5.66843 eV -1.55308 eV 0.00000 eV 2.00000 eV 0.01102 eV