| Formula | Gap (eV) | Free Energy (eV) | Space group type | Space group | Comment | Calculation progress |
|---|---|---|---|---|---|---|
| Cd1Cr1F6 | 1.587 | -37.134 | 'R-3' | 148 | MatHub3d-26556-Cd1Cr1F6 | Band |
| Fe2Ga1Ni1 | 0 | -15.363 | 'Fm-3m' | 225 | MatHub3d-46100-Fe2Ga1Ni1 | Band |
| Fe6Ga6Sc1 | 0 | -55.655 | 'Immm' | 71 | MatHub3d-47691-Fe6Ga6Sc1 | Band |
| Fe2Ga1Ti1 | 0 | -18.130 | 'Fm-3m' | 225 | MatHub3d-46103-Fe2Ga1Ti1 | Band |
| Cr1F6Hg1 | 0 | -33.982 | 'R-3' | 148 | MatHub3d-34048-Cr1F6Hg1 | Band |
| Fe2Ga1V1 | 0.738 | -17.721 | 'Fm-3m' | 225 | MatHub3d-46104-Fe2Ga1V1 | Band |
| Fe4Gd2 | 0 | -28.899 | 'Fd-3m' | 227 | MatHub3d-47028-Fe4Gd2 | Band |
| Fe9Gd3 | 0 | -58.193 | 'R-3m' | 166 | MatHub3d-48179-Fe9Gd3 | Band |
| Fe5Gd1 | 0 | -28.909 | 'P6/mmm' | 191 | MatHub3d-47607-Fe5Gd1 | Band |
| Fe34Gd4 | 0 | -186.855 | 'P6_3/mmc' | 194 | MatHub3d-48554-Fe34Gd4 | Band |
| Fe17Gd2 | 0 | -93.585 | 'R-3m' | 166 | MatHub3d-48443-Fe17Gd2 | Band |
| Fe4Ge4 | 0 | -37.132 | 'P2_13' | 198 | MatHub3d-47033-Fe4Ge4 | Band |
| Fe4Hf2 | 0 | -39.796 | 'Fd-3m' | 227 | MatHub3d-47085-Fe4Hf2 | Band |
| Li3 | 0 | -5.682 | 'P6/mmm' | 191 | MatHub3d-59708-Li3 | Band |
| Cr2F12Li4 | 1.464 | -92.277 | 'P2_1/c' | 14 | MatHub3d-34414-Cr2F12Li4 | Band |
| Fe4Ho2 | 0 | -28.896 | 'Fd-3m' | 227 | MatHub3d-47091-Fe4Ho2 | Band |
| Fe9Ho3 | 0 | -58.141 | 'R-3m' | 166 | MatHub3d-48180-Fe9Ho3 | Band |
| Fe5Ho1 | 0 | -28.722 | 'P6/mmm' | 191 | MatHub3d-47610-Fe5Ho1 | Band |
| Fe23Ho6 | 0 | -141.590 | 'Fm-3m' | 225 | MatHub3d-48511-Fe23Ho6 | Band |
| Ca2Ga8O14 | 2.963 | -151.953 | 'C2/c' | 15 | MatHub3d-25118-Ca2Ga8O14 | Transport |
| Fe4Lu2 | 0 | -28.923 | 'Fd-3m' | 227 | MatHub3d-47341-Fe4Lu2 | Band |
| Cl16N12Sb4 | 1.888 | -150.403 | 'P2_1/c' | 14 | MatHub3d-30490-Cl16N12Sb4 | Transport |
| Fe4Nd2 | 0 | -28.842 | 'Fd-3m' | 227 | MatHub3d-47432-Fe4Nd2 | Band |
| Fe1Ni1 | 0 | -7.721 | 'P4/mmm' | 123 | MatHub3d-45991-Fe1Ni1 | Band |
| Fe1Ni3 | 0 | -12.778 | 'Pm-3m' | 221 | MatHub3d-45995-Fe1Ni3 | Band |