Structure

Basic information

Pretty formulaNa2MgB12(H4O7)4
Full formulaNa4Mg2B24H32O56
Tags
Constituent elementsB; H; Mg; Na; O;
Number of elements5
Number of sites118
Volume1,129.43563 Å3
Density1.95285 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a11.432 Å b10.162 Å c9.739 Å
α93.374° β90.000° γ90.000°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-700.24464 eV -5.93428 eV -1.61685 eV 3.22280 eV 0.00000 eV 0.65629 eV