| Formula | Gap (eV) | Free Energy (eV) | Crystal system | Space group | Comment |
|---|---|---|---|---|---|
| As2Na2Zn2 | 0.65 | -15.083 | square | 129 | MatHub2d-1726-As2Na2Zn2 |
| Ba1O2 | 2.74 | -16.947 | square | 123 | MatHub2d-1727-Ba1O2 |
| Ba2F2I2 | 4.31 | -27.664 | square | 129 | MatHub2d-1728-Ba2F2I2 |
| Ba2S4Zr1 | square | 99 | MatHub2d-1729-Ba2S4Zr1 | ||
| Ba4O1Sb2 | 0.00 | -26.294 | square | 99 | MatHub2d-1730-Ba4O1Sb2 |
| Bi1S1 | 0.00 | -7.701 | square | 123 | MatHub2d-1731-Bi1S1 |
| Bi1Se1 | 0.01 | -7.135 | square | 123 | MatHub2d-1732-Bi1Se1 |
| Bi1Te1 | 0.00 | -6.528 | square | 123 | MatHub2d-1733-Bi1Te1 |
| Bi2Br2O2 | 2.41 | -27.793 | square | 129 | MatHub2d-1734-Bi2Br2O2 |
| Bi2Cl2O2 | 2.73 | -28.868 | square | 129 | MatHub2d-1735-Bi2Cl2O2 |
| Bi2I2O2 | 1.51 | -26.553 | square | 129 | MatHub2d-1736-Bi2I2O2 |
| Bi2In2 | 0.00 | -12.228 | square | 129 | MatHub2d-1737-Bi2In2 |
| Bi2O2Se1 | 0.00 | -25.148 | square | 99 | MatHub2d-1738-Bi2O2Se1 |
| Br2Ca2H2 | 4.19 | -21.948 | square | 129 | MatHub2d-1739-Br2Ca2H2 |
| Br2Co1O2Sr2 | 0.00 | -7.223 | square | 123 | MatHub2d-1740-Br2Co1O2Sr2 |
| Br2F8Rb2 | square | 35 | MatHub2d-1741-Br2F8Rb2 | ||
| Br2H2Sr2 | 4.33 | -21.601 | square | 129 | MatHub2d-1742-Br2H2Sr2 |
| Br2N2Th2 | 2.69 | -46.631 | square | 129 | MatHub2d-1743-Br2N2Th2 |
| Br2Nd2O2 | 4.73 | -39.887 | square | 129 | MatHub2d-1744-Br2Nd2O2 |
| Br2O2Pu2 | 0.00 | -56.142 | square | 129 | MatHub2d-1745-Br2O2Pu2 |
| Br2O2Sm2 | 4.70 | -39.906 | square | 129 | MatHub2d-1746-Br2O2Sm2 |
| Br2O2Yb2 | 0.00 | -28.103 | square | 129 | MatHub2d-1747-Br2O2Yb2 |
| C4 | 0.00 | -34.854 | square | 123 | MatHub2d-1748-C4 |
| Ca2H2I2 | 3.84 | -20.381 | square | 129 | MatHub2d-1749-Ca2H2I2 |
| Ca2Mn2Si2 | 0.00 | -29.327 | square | 129 | MatHub2d-1750-Ca2Mn2Si2 |