Detail information of Na3LiMo2(H6O7)2

Structure

Basic information

Pretty formulaNa3LiMo2(H6O7)2
Full formulaNa6Li2Mo4H24O28
TagsTrisodium lithium bis(molybdate(VI)) hexawater
Constituent elementsH; Li; Mo; Na; O;
Number of elements5
Number of sites64
Volume709.16455 Å3
Density2.35970 g/cm3
Source Materials Project

Space group

Spacegroup Number161
Hermann MauguinR3c
HallR 3 -2"c
Crystal SystemHexagonal

Lattice Parameters

a11.730 Å b11.730 Å c11.730 Å
α44.067° β44.067° γ44.067°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-349.70983 eV -5.46422 eV -1.75634 eV 4.62210 eV 0.00000 eV 0.00911 eV