Detail information of NiB6(H8O9)2

Structure

Basic information

Pretty formulaNiB6(H8O9)2
Full formulaNi4B24H64O72
TagsTetraaquanickel heptaoxohexahydroxohexaborate hydrate
Constituent elementsB; H; Ni; O;
Number of elements4
Number of sites164
Volume1,402.07251 Å3
Density2.02606 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.020 Å b21.852 Å c7.216 Å
α90.000° β90.000° γ99.655°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-999.49330 eV -6.09447 eV -1.90622 eV 4.94570 eV 8.00040 eV 0.01531 eV