Structure

Basic information

Pretty formulaBaRe2(H2O3)4
Full formulaBa4Re8H32O48
TagsBarium bis(rhenate(VII)) tetrahydrate
Constituent elementsBa; H; O; Re;
Number of elements4
Number of sites92
Volume1,184.63803 Å3
Density3.97977 g/cm3
Source Materials Project

Space group

Spacegroup Number14
Hermann MauguinP21/c
Hall-P 2ybc
Crystal SystemMonoclinic

Lattice Parameters

a7.499 Å b12.652 Å c12.491 Å
α90.000° β91.523° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-591.56979 eV -6.43011 eV -1.92878 eV 4.02260 eV 0.00000 eV 0.01201 eV