Detail information of ScRe4H8NO20

Structure

Basic information

Pretty formulaScRe4H8NO20
Full formulaSc2Re8H16N2O40
TagsAmmonium scandium tetrakis(rhenate(VII)) tetrahydrate
Constituent elementsH; N; O; Re; Sc;
Number of elements5
Number of sites68
Volume927.34700 Å3
Density4.05343 g/cm3
Source Materials Project

Space group

Spacegroup Number118
Hermann MauguinP-4n2
HallP -4 -2n
Crystal SystemTetragonal

Lattice Parameters

a12.225 Å b12.225 Å c6.205 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-466.31387 eV -6.85756 eV -1.72110 eV 0.00000 eV 4.50346 eV 0.17158 eV