Detail information of MnP2H36C12N6(ClO)2

Structure

Basic information

Pretty formulaMnP2H36C12N6(ClO)2
Full formulaMn2P4H72C24N12Cl4O4
TagsBis(tris(dimethylamido)phosphonato)manganese chloride
Constituent elementsC; Cl; H; Mn; N; O; P;
Number of elements7
Number of sites122
Volume1,271.81964 Å3
Density1.26450 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a12.663 Å b12.663 Å c16.075 Å
α54.872° β125.128° γ141.514°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-666.88893 eV -5.46630 eV -0.47755 eV 4.21920 eV 10.00001 eV 0.09936 eV