Detail information of CaMgB6(HO)22

Structure

Basic information

Pretty formulaCaMgB6(HO)22
Full formulaCa2Mg2B12H44O44
TagsCalcium magnesium bis(cyclo-trioxopentahydroxotriborate) hexahydrate;
Inderborite
Constituent elementsB; Ca; H; Mg; O;
Number of elements5
Number of sites104
Volume878.99606 Å3
Density1.90202 g/cm3
Source Materials Project

Space group

Spacegroup Number15
Hermann MauguinC2/c
Hall-C 2yc
Crystal SystemMonoclinic

Lattice Parameters

a7.111 Å b7.111 Å c19.464 Å
α89.682° β90.318° γ116.733°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-621.56371 eV -5.97657 eV -1.97525 eV 4.95610 eV 0.00301 eV 0.01495 eV