Detail information of MnH12C2NCl3O2

Structure

Basic information

Pretty formulaMnH12C2NCl3O2
Full formulaMn4H48C8N4Cl12O8
TagsDimethylammonium diaquatrichloromanganate(II)
Constituent elementsC; Cl; H; Mn; N; O;
Number of elements6
Number of sites84
Volume1,523.67269 Å3
Density1.06114 g/cm3
Source Materials Project

Space group

Spacegroup Number64
Hermann MauguinCmca
Hall-C 2bc 2
Crystal SystemOrthorhombic

Lattice Parameters

a11.737 Å b11.737 Å c11.799 Å
α90.000° β90.000° γ110.374°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-389.48281 eV -4.63670 eV -0.58971 eV 1.10920 eV 12.00000 eV 0.37672 eV