MatHub-2d

Formula Gap (eV) Free Energy (eV) Crystal system Space group Comment
C2H2O2Ti3 0.00 -60.115 hexagonal 187 MatHub2d-351-C2H2O2Ti3
C2H2O2V3 0.00 -61.782 hexagonal 187 MatHub2d-352-C2H2O2V3
C2H2O2W3 0.00 -68.364 hexagonal 187 MatHub2d-353-C2H2O2W3
C2H2O2Y3 0.00 -64.176 hexagonal 187 MatHub2d-354-C2H2O2Y3
C2H2O2Y3 0.00 -64.176 hexagonal 187 MatHub2d-355-C2H2O2Y3
C2H2O2Zr3 0.00 -72.615 hexagonal 187 MatHub2d-356-C2H2O2Zr3
C2Hf3 0.00 -49.949 hexagonal 187 MatHub2d-357-C2Hf3
C2Hf3O2 0.43 -71.013 hexagonal 187 MatHub2d-358-C2Hf3O2
C2Mn3 0.00 -34.856 hexagonal 187 MatHub2d-359-C2Mn3
C2Mn3O2 0.00 -49.376 hexagonal 187 MatHub2d-360-C2Mn3O2
C2Mo3 0.00 -40.166 hexagonal 187 MatHub2d-361-C2Mo3
C2Mo3O2 0.00 -56.866 hexagonal 187 MatHub2d-362-C2Mo3O2
C2Nb3 0.00 -42.680 hexagonal 187 MatHub2d-363-C2Nb3
C2Nb3O2 0.00 -62.784 hexagonal 187 MatHub2d-364-C2Nb3O2
C2O2Sc3 0.00 -54.252 hexagonal 187 MatHub2d-365-C2O2Sc3
C2O2Ta3 0.00 -67.927 hexagonal 187 MatHub2d-366-C2O2Ta3
C2O2Ti3 0.22 -53.693 hexagonal 187 MatHub2d-367-C2O2Ti3
C2O2V3 0.00 -54.921 hexagonal 187 MatHub2d-368-C2O2V3
C2O2W3 0.00 -62.909 hexagonal 187 MatHub2d-369-C2O2W3
C2O2Y3 0.00 -58.422 hexagonal 187 MatHub2d-370-C2O2Y3
C2O2Zr3 0.38 -66.195 hexagonal 187 MatHub2d-371-C2O2Zr3
C2O6V1 1.16 -69.057 hexagonal 147 MatHub2d-372-C2O6V1
C2Sc3 0.00 -34.432 hexagonal 187 MatHub2d-373-C2Sc3
C2Ta3 0.01 -48.296 hexagonal 187 MatHub2d-374-C2Ta3
C2Ti3 0.00 -34.046 hexagonal 187 MatHub2d-375-C2Ti3