Detail information of CaB3H13O12

Structure

Basic information

Pretty formulaCaB3H13O12
Full formulaCa4B12H52O48
TagsTriaquacalcium pentahydroxotrioxotriborate hydrate;
Inyoite
Constituent elementsB; Ca; H; O;
Number of elements4
Number of sites116
Volume989.29045 Å3
Density1.86387 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a10.528 Å b12.113 Å c8.394 Å
α90.000° β112.457° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-684.14413 eV -5.89779 eV -1.93401 eV 5.21960 eV 0.00000 eV 0.01228 eV