Structure

Basic information

Pretty formulaCa12Mn8Si7(H5O16)3
Full formulaCa12Mn8Si7H15O48
Tags
Constituent elementsCa; H; Mn; O; Si;
Number of elements5
Number of sites90
Volume1,190.33479 Å3
Density2.65072 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a11.570 Å b12.133 Å c12.174 Å
α122.462° β117.527° γ91.449°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-587.43078 eV -6.52701 eV -2.37610 eV 1.09980 eV 27.00000 eV 0.20519 eV