Detail information of B5H12C2NO10

Structure

Basic information

Pretty formulaB5H12C2NO10
Full formulaB20H48C8N4O40
TagsDimethylammonium 1,1-spiro-bis(3,5,-dihydroxy-2,4,6-trioxa-1,3,5-triboracyclohexane)borate
Constituent elementsB; C; H; N; O;
Number of elements5
Number of sites120
Volume1,266.61269 Å3
Density1.38533 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a8.932 Å b8.932 Å c17.369 Å
α73.153° β106.847° γ98.295°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-765.09978 eV -6.37583 eV -1.67566 eV 5.69130 eV 0.00322 eV 0.00131 eV