Structure

Basic information

Pretty formulaNa2Ni4Mo4(HO4)5
Full formulaNa2Ni4Mo4H5O20
Tags
Constituent elementsH; Mo; Na; Ni; O;
Number of elements5
Number of sites35
Volume408.93798 Å3
Density4.01814 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a5.871 Å b11.879 Å c7.776 Å
α56.688° β87.681° γ67.622°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-197.37132 eV -5.63918 eV -1.43155 eV 0.00000 eV 9.00000 eV 0.25153 eV