Detail information of MnPH5CO4

Structure

Basic information

Pretty formulaMnPH5CO4
Full formulaMn4P4H20C4O16
TagsManganese trideuteriomethylphosphate dideuteriohydrate;
Manganese(II) trideuteriomethylphosphonate d
Constituent elementsC; H; Mn; O; P;
Number of elements5
Number of sites48
Volume514.50827 Å3
Density2.15540 g/cm3
Source Materials Project

Space group

Spacegroup Number33
Hermann MauguinPna21
HallP 2c -2n
Crystal SystemOrthorhombic

Lattice Parameters

a17.706 Å b4.934 Å c5.889 Å
α90.000° β90.000° γ90.000°

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Style

Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-292.56866 eV -6.09518 eV -1.49178 eV 3.34540 eV 20.00024 eV 0.00000 eV