| Formula | Gap (eV) | Free Energy (eV) | Space group type | Space group | Comment | Calculation progress |
|---|---|---|---|---|---|---|
| C4Fe1H8N6S4 | 2.809 | -139.773 | 'P-1' | 2 | MatHub3d-20196-C4Fe1H8N6S4 | Band |
| Ir5Nd1 | 0 | -36.533 | 'P6/mmm' | 191 | MatHub3d-56602-Ir5Nd1 | Band |
| Ir4Np2 | 0 | -52.454 | 'Fd-3m' | 227 | MatHub3d-56547-Ir4Np2 | Band |
| Ir3Pa1 | 0 | -31.203 | 'Pm-3m' | 221 | MatHub3d-56510-Ir3Pa1 | Band |
| Ir2Pb2 | 0 | -18.458 | 'P6_3/mmc' | 194 | MatHub3d-56475-Ir2Pb2 | Band |
| Bi4Ca2Mn2 | 0 | -31.172 | 'P4/nmm' | 129 | MatHub3d-16182-Bi4Ca2Mn2 | Band |
| Ir4Pr2 | 0 | -37.745 | 'Fd-3m' | 227 | MatHub3d-56558-Ir4Pr2 | Band |
| Ir4Pu2 | 0 | -52.629 | 'Fd-3m' | 227 | MatHub3d-56559-Ir4Pu2 | Band |
| O13Sr2Ti6 | 1.067 | -161.590 | 'C2/m' | 12 | MatHub3d-69208-O13Sr2Ti6 | Transport |
| Ir1Sc1 | 0.034 | -13.216 | 'Pm-3m' | 221 | MatHub3d-56380-Ir1Sc1 | Band |
| Ir4Sc2 | 0 | -38.831 | 'Fd-3m' | 227 | MatHub3d-56568-Ir4Sc2 | Band |
| Ir2Sn2 | 0 | -21.509 | 'P6_3/mmc' | 194 | MatHub3d-56487-Ir2Sn2 | Band |
| Ir3Sn3Zr3 | 0 | -62.709 | 'P-62m' | 189 | MatHub3d-56515-Ir3Sn3Zr3 | Band |
| Ir4Sr2 | 0 | -29.242 | 'Fd-3m' | 227 | MatHub3d-56584-Ir4Sr2 | Band |
| Ir6Ta6 | 0 | -104.100 | 'Pmma' | 51 | MatHub3d-56624-Ir6Ta6 | Band |
| Ir3Ta1 | 0 | -31.175 | 'Pm-3m' | 221 | MatHub3d-56516-Ir3Ta1 | Band |
| Ir4Tb2 | 0 | -38.231 | 'Fd-3m' | 227 | MatHub3d-56586-Ir4Tb2 | Band |
| I10Nb2 | 1.134 | -37.510 | 'P-1' | 2 | MatHub3d-55226-I10Nb2 | Transport |
| Ir4Th2 | 0 | -44.079 | 'Fd-3m' | 227 | MatHub3d-56589-Ir4Th2 | Band |
| Ir5Th1 | 0 | -40.375 | 'P6/mmm' | 191 | MatHub3d-56605-Ir5Th1 | Band |
| Ir2Ti6 | 0 | -44.473 | 'Pm-3n' | 223 | MatHub3d-56495-Ir2Ti6 | Band |
| As2Hg2K2 | 0 | -13.858 | 'P6_3/mmc' | 194 | MatHub3d-5634-As2Hg2K2 | Band |
| Ir1Tm1 | 0 | -12.522 | 'Pm-3m' | 221 | MatHub3d-56392-Ir1Tm1 | Band |
| Ir4Tm2 | 0 | -38.206 | 'Fd-3m' | 227 | MatHub3d-56590-Ir4Tm2 | Band |
| Ir4U2 | 0 | -49.963 | 'Fd-3m' | 227 | MatHub3d-56591-Ir4U2 | Band |