Structure

Basic information

Pretty formulaCaNdMn2O6
Full formulaCa6Nd6Mn12O36
Tags
Constituent elementsCa; Mn; Nd; O;
Number of elements4
Number of sites60
Volume692.20817 Å3
Density5.61620 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a5.456 Å b5.502 Å c23.060 Å
α89.960° β90.005° γ90.027°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-448.40207 eV -7.47337 eV -2.76118 eV 0.10060 eV 42.00003 eV 0.00454 eV