Table 1 Results of predicted and experimentally obtained \(\Delta {h}_{o}\,\) for a wide range of perovskites from 237 to 457 kJ mol−1
Formula | Name | Enthalpy Pred. (δ = 0.5) \(\Delta {h}_{o,{\rm{pred}}}\) (kJ/mol) | Enthalpy Pred. (δ = 0.25) \(\Delta {h}_{o,{\rm{pred}}}\) (kJ/mol) | Enthalpy Exp. (δ variable) \(\Delta {h}_{o,\exp }\) (kJ/mol) | Differences with exp. value (kJ/mol) | Relative Errors (%) | Reference |
|---|---|---|---|---|---|---|---|
Ba0.875Ca0.125Zr0.875Mn0.125O₃ | BCZM | 457 | 327 | 305 (δ avg.) | 152/22 | 49.8/7.2 | This work |
LaCo0.875Ni0.125O₃ | LCN | 237 | 294 | 251 (δ avg.) | 14/43 | 5.6/17.1 | This work |
La0.125Sr0.875Fe0.875Mn0.125O₃ | LSFM | 262 | 314 | 207 (δ avg.) | 55/107 | 26.6/51.7 | This work |
La0.875Ba0.125Fe0.875Co0.125O₃ | LBFC | 305 | 333 | 186 (δ avg.) | 119/147 | 64/79 | This work |
YMnO₃ | YM | 352 | 332 | 304 (δ = 0.1) | 48/28 | 15.8/9.2 | Qian et al.88 |
CaTi0.5Mn0.5O₃ | CTM | 222 | 239 | 215 (δ = 0.1) | 7/24 | 3.3/11.2 | Qian et al.37 |
La0.8Sr0.2MnO₃ | LSM20 | 286 | 354 | 300 (δ = 0.07) | 14/54 | 4.5/18 | Carrillo and Scheffe.23 |
Sr0.5Ti0.5MnO3 | STM | 290 | 275 | 225 (δ = 0.1) | 65/50 | 28.9/22.2 | Qian et al. 77 |
La0.5Sr0.5MnO₃ | LSM50 | 278 | 330 | 248 (δ = 0.1) | 33/82 | 12.1/33.1 | Carrillo and Scheffe 23 |
La0.625Ca0.375Mn0.625Al0.375O₃ | LCMA | 290 | 317 | 289 (δ = 0.07) | 1/28 | 0.4/9.7 | Takacs et al.83 |
Ca0.66Ce0.33Ti0.33Mn0.66O3a | CCTM | 221 | 299 | 318* (δ = 0.01) | (−97)/(−19) | 43.67/6.0 | Wexler et al.58 |
