Table 5 Comparison of SSUB database46 and alternative sources for experimental formation energies
From: The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
Composition | SSUB | ΔHf (eV/atom) alternative | OQMD |
|---|---|---|---|
LiNbO3 | −5.660 | −2.774 a | −2.739 |
Eu2O3 | −3.437 | −3.423 b | −2.574 |
SiB6 | −0.173 | −0.181 c | 0.455 |
EuF3 | −4.104 | −4.195 d | −3.483 |
MnSe | −0.889 | −0.922 e | −0.363 |
InN | −0.500 | −0.148 f | −0.021 |
AlB2 | −0.521 | −0.055 g | −0.044 |
PtZr | −1.561 | −0.99 d | −1.086 |
Ba2Pb | −1.012 | −0.694 h | −0.540 |
PuCl3 | −2.614 | −2.486 i | −2.176 |
PrO2 | −3.280 | −3.316 j | −2.846 |
CaAl2 | −0.759 | −0.346 k | −0.335 |
BaSiO3 | −3.354 | −3.330 l | −2.945 |
CeN | −1.715 | −1.763 m | −1.326 |