Detail information of MoH12Pd(NO)4

Structure

Basic information

Pretty formulaMoH12Pd(NO)4
Full formulaMo2H24Pd2N8O8
TagsTetraamminepalladium molybdate
Constituent elementsH; Mo; N; O; Pd;
Number of elements5
Number of sites44
Volume440.93259 Å3
Density2.51928 g/cm3
Source Materials Project

Space group

Spacegroup Number141
Hermann MauguinI41/amd
HallI 4bw 2bw -1bw
Crystal SystemTetragonal

Lattice Parameters

a9.450 Å b9.450 Å c9.450 Å
α133.169° β133.161° γ68.395°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-242.19853 eV -5.50451 eV -0.95343 eV 2.86210 eV 0.00000 eV 0.00000 eV