Detail information of MnP3H10C3NO9

Structure

Basic information

Pretty formulaMnP3H10C3NO9
Full formulaMn4P12H40C12N4O36
TagsCatena-((mue4-nitrilotris(methylenephosphonato))-manganese)
Constituent elementsC; H; Mn; N; O; P;
Number of elements6
Number of sites108
Volume1,061.64353 Å3
Density2.20211 g/cm3
Source Materials Project

Space group

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

Lattice Parameters

a9.248 Å b8.525 Å c13.597 Å
α90.000° β98.001° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-669.93440 eV -6.20310 eV -1.39497 eV 4.76110 eV 20.00003 eV 0.09821 eV