Structure

Basic information

Pretty formulaCa2MnFeSi4(HO3)5
Full formulaCa4Mn2Fe2Si8H10O30
Tags
Constituent elementsCa; Fe; H; Mn; O; Si;
Number of elements6
Number of sites56
Volume681.02119 Å3
Density2.67391 g/cm3
Source Materials Project

Space group

Spacegroup Number2
Hermann MauguinP-1
Hall-P 1
Crystal SystemTriclinic

Lattice Parameters

a10.200 Å b9.570 Å c8.865 Å
α58.650° β67.337° γ80.760°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-359.10799 eV -6.41264 eV -2.17683 eV 0.97060 eV 18.00000 eV 0.46002 eV