Detail information of BaH6C4O7

Structure

Basic information

Pretty formulaBaH6C4O7
Full formulaBa2H12C8O14
TagsBarium squarate trihydrate
Constituent elementsBa; C; H; O;
Number of elements4
Number of sites36
Volume394.19085 Å3
Density2.55627 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a6.632 Å b8.646 Å c8.832 Å
α61.343° β63.878° γ70.548°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-227.48792 eV -6.31911 eV -1.43579 eV 2.64830 eV 0.00000 eV 0.15760 eV