Detail information of MoH6NO3F2

Structure

Basic information

Pretty formulaMoH6NO3F2
Full formulaMo4H24N4O12F8
TagsDiammonium tetrafluorotetraoxodimolybdate dihydrate
Constituent elementsF; H; Mo; N; O;
Number of elements5
Number of sites52
Volume497.73316 Å3
Density2.69551 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a8.591 Å b8.591 Å c7.991 Å
α77.397° β102.603° γ66.815°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-281.76950 eV -5.41864 eV -1.55226 eV 2.78030 eV 0.00000 eV 0.05015 eV