Magnetism and Other Atomistic Properties

You can use data about atomistic properties such as magnetism and Curie temperatures in the POP file.

Example	ED_EXP commands
Curie temperature of MnxFe3-xO4, x=1.26	CREATE_NEW_EQUILIBRIUM 1 1 CHANGE_STATUS PHASE SPINEL=ENT 1 SET_CONDITION T=520 P=101325 N(O)=4 SET_CONDITION N(FE)+N(MN)=3 N(MN)=1.26 EXPERIMENT TC(SPINEL)=520:5

Example

ED_EXP commands

Curie temperature of MnxFe3-xO4, x=1.26

CREATE_NEW_EQUILIBRIUM 1 1

CHANGE_STATUS PHASE SPINEL=ENT 1

SET_CONDITION T=520 P=101325 N(O)=4

SET_CONDITION N(FE)+N(MN)=3 N(MN)=1.26

EXPERIMENT TC(SPINEL)=520:5