Detail information of CaB3H3O7

Structure

Basic information

Pretty formulaCaB3H3O7
Full formulaCa4B12H12O28
TagsCalcium trihydroxotetraoxotriborate;
Unnamed
Constituent elementsB; Ca; H; O;
Number of elements4
Number of sites56
Volume502.06224 Å3
Density2.48098 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.476 Å b8.197 Å c7.298 Å
α90.000° β97.990° γ90.000°

Note: if the model can't be displayed, try Firefox or Chrome.

Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-387.86409 eV -6.92614 eV -2.54142 eV 5.74350 eV -0.00002 eV 0.00000 eV