Structure

Basic information

Pretty formulaSr5Nd5Cu(NiO5)4
Full formulaSr5Nd5Cu1Ni4O20
Tags
Constituent elementsCu; Nd; Ni; O; Sr;
Number of elements5
Number of sites35
Volume472.88803 Å3
Density6.24208 g/cm3
Source Materials Project

Space group

Spacegroup Number1
Hermann MauguinP1
HallP 1
Crystal SystemTriclinic

Lattice Parameters

a3.841 Å b19.391 Å c6.846 Å
α104.773° β105.956° γ89.725°

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Calculated Energies

Total energyEnergy per atomFormation energy per atomBand gapTotal magnetizationEnergy above hull
-224.53665 eV -6.41533 eV -2.54477 eV 0.00000 eV 5.67006 eV 0.04662 eV