MatHub-2d

Formula Gap (eV) Free Energy (eV) Crystal system Space group Comment
As2Ce1Li2 0.18 -21.052 hexagonal 164 MatHub2d-51-As2Ce1Li2
As2Cl6 3.86 -26.084 hexagonal 150 MatHub2d-52-As2Cl6
As2Cl6 4.06 -26.160 hexagonal 147 MatHub2d-53-As2Cl6
As2Ge6 0.00 -31.167 hexagonal 191 MatHub2d-54-As2Ge6
As2Hg1K4 hexagonal 156 MatHub2d-55-As2Hg1K4
As2I6 2.22 -19.753 hexagonal 150 MatHub2d-56-As2I6
As2I6 2.24 -20.047 hexagonal 162 MatHub2d-57-As2I6
As2Pb6 0.00 -25.721 hexagonal 191 MatHub2d-58-As2Pb6
As2S6Sn1Tl2 1.73 -45.915 hexagonal 147 MatHub2d-59-As2S6Sn1Tl2
As2Si6 0.00 -35.885 hexagonal 191 MatHub2d-60-As2Si6
As2Sn6 0.00 -27.622 hexagonal 191 MatHub2d-61-As2Sn6
As2Te3 0.63 -18.773 hexagonal 164 MatHub2d-62-As2Te3
As3Si1 0.00 -16.052 hexagonal 191 MatHub2d-63-As3Si1
Au1Br2 0.00 -4.528 hexagonal 164 MatHub2d-64-Au1Br2
Au1Br2 0.00 -4.182 hexagonal 187 MatHub2d-65-Au1Br2
Au1Cl2 0.00 -5.091 hexagonal 164 MatHub2d-66-Au1Cl2
Au1Cl2 0.00 -4.698 hexagonal 187 MatHub2d-67-Au1Cl2
Au1I2 0.00 -4.090 hexagonal 164 MatHub2d-68-Au1I2
Au1I2 0.00 -3.757 hexagonal 187 MatHub2d-69-Au1I2
Au1Mg3 0.00 -5.240 hexagonal 187 MatHub2d-70-Au1Mg3
Au1O2 0.01 -10.165 hexagonal 164 MatHub2d-71-Au1O2
Au1O2 0.00 -8.340 hexagonal 187 MatHub2d-72-Au1O2
Au1S2 0.00 -8.203 hexagonal 164 MatHub2d-73-Au1S2
Au1S2 0.00 -7.487 hexagonal 187 MatHub2d-74-Au1S2
Au1Se2 0.00 -7.497 hexagonal 164 MatHub2d-75-Au1Se2