| Formula | Gap (eV) | Free Energy (eV) | Space group type | Space group | Comment | Calculation progress |
|---|---|---|---|---|---|---|
| Ru1Sb1Zr1 | 0 | -20.086 | 'F-43m' | 216 | MatHub3d-72725-Ru1Sb1Zr1 | Band |
| Ru1Sb1Ti1 | 0 | -15.854 | 'F-43m' | 216 | MatHub3d-72723-Ru1Sb1Ti1 | Band |
| Co1Sb1Ta1 | 0 | -17.153 | 'F-43m' | 216 | MatHub3d-31603-Co1Sb1Ta1 | Band |
| Co1Nb1Sb1 | 0 | -15.733 | 'F-43m' | 216 | MatHub3d-31538-Co1Nb1Sb1 | Band |
| S8Zn8 | 2.310 | -50.487 | 'R3m' | 160 | MatHub3d-73000-S8Zn8 | Transport |
| S8Zn8 | 2.689 | -51.486 | 'P3m1' | 156 | MatHub3d-73001-S8Zn8 | Transport |
| C5Si5 | 1.754 | -75.302 | 'P3m1' | 156 | MatHub3d-20804-C5Si5 | Transport |
| Ce1Fe2Si2 | 0 | -24.690 | 'I4/mmm' | 139 | MatHub3d-27707-Ce1Fe2Si2 | Band |
| Ni2Si2Sm1 | 0 | -24.430 | 'I4/mmm' | 139 | MatHub3d-67620-Ni2Si2Sm1 | Band |
| Ce1Fe2Ge2 | 0 | -11.788 | 'I4/mmm' | 139 | MatHub3d-27705-Ce1Fe2Ge2 | Band |
| Ce1Co2Ge2 | 0 | -13.711 | 'I4/mmm' | 139 | MatHub3d-27681-Ce1Co2Ge2 | Band |
| Fe2Ge2Sm1 | 0 | -25.942 | 'I4/mmm' | 139 | MatHub3d-46125-Fe2Ge2Sm1 | Band |
| Ge2Ni2Sm1 | 0 | -21.973 | 'I4/mmm' | 139 | MatHub3d-50254-Ge2Ni2Sm1 | Band |
| Co2Ge2Tm1 | 0 | -21.806 | 'I4/mmm' | 139 | MatHub3d-31848-Co2Ge2Tm1 | Band |
| Bi2Er10Pt4 | 0 | -83.405 | 'I4/mcm' | 140 | MatHub3d-15851-Bi2Er10Pt4 | Band |
| Al20Fe4Y2 | 0 | -112.290 | 'Cmcm' | 63 | MatHub3d-4783-Al20Fe4Y2 | Band |
| Al3Ho3Ni3 | 0 | -37.264 | 'P-62m' | 189 | MatHub3d-3030-Al3Ho3Ni3 | Band |
| Al8U2 | 0 | -53.267 | 'Imma' | 74 | MatHub3d-4404-Al8U2 | Band |
| Co5Y1 | 0 | -23.787 | 'P6/mmm' | 191 | MatHub3d-33279-Co5Y1 | Band |
| Co5Nd1 | 0 | -21.683 | 'P6/mmm' | 191 | MatHub3d-33264-Co5Nd1 | Band |
| Fe5Nd1 | 0 | -28.970 | 'P6/mmm' | 191 | MatHub3d-47669-Fe5Nd1 | Band |
| Fe5Sm1 | 0 | -28.805 | 'P6/mmm' | 191 | MatHub3d-47686-Fe5Sm1 | Band |
| Cu2Dy2Pb2 | 0 | -23.264 | 'P6_3mc' | 186 | MatHub3d-38048-Cu2Dy2Pb2 | Band |
| Ag3Pb3Y3 | 0 | -36.197 | 'P-62m' | 189 | MatHub3d-1074-Ag3Pb3Y3 | Band |
| Ag3Er3Pb3 | 0 | -29.871 | 'P-62m' | 189 | MatHub3d-1039-Ag3Er3Pb3 | Band |