Detail information of NaCa2B9(H2O5)4

Structure

Basic information

Pretty formulaNaCa2B9(H2O5)4
Full formulaNa4Ca8B36H32O80
TagsSodium dicalcium tetradecaoxotetrahydroxononaborate dihydrate;
Studenitsite
Constituent elementsB; Ca; H; Na; O;
Number of elements5
Number of sites160
Volume1,545.37586 Å3
Density2.27152 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a11.611 Å b10.629 Å c12.687 Å
α90.000° β90.000° γ99.272°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-1,105.52974 eV -6.90956 eV -2.50957 eV 5.14070 eV 0.00000 eV 0.00601 eV