Detail information of MgAsH15O11

Structure

Basic information

Pretty formulaMgAsH15O11
Full formulaMg4As4H60O44
TagsMagnesium hydrogenarsenate(V) heptahydrate;
Roesslerite
Constituent elementsAs; H; Mg; O;
Number of elements4
Number of sites112
Volume1,007.77789 Å3
Density1.91359 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a6.686 Å b13.637 Å c11.456 Å
α88.636° β95.573° γ104.190°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-580.21437 eV -5.18049 eV -1.55858 eV 4.15850 eV 0.00000 eV 0.01070 eV