Hf–Ni–Sn–Ti system
20 accepted literature values from 1 paper(s) (experimental 2, model 6, DFT 12); 0 calculated phase diagram(s).
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| Evidence class | Values |
|---|---|
| experimental | 2 |
| model | 6 |
| DFT | 12 |
| Property group | Values |
|---|---|
| formation | 20 |
Formation enthalpies
Literature values in kJ/mol-atom where the per-atom basis is known. DFT columns: the lowest-energy entry at the same composition (Materials Project 2026.04.13, OQMD v1.8; different energy references, never averaged), from dft_parity.json.
| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---|---|---|---|---|---|---|---|
| Full Heusler | -58.2 kJ/mol-atom | model | [1] Berche 2016 | Table 4, p. 5, row 14 report | |||||
| Full Heusler | -55.5 kJ/mol-atom | 0 | DFT | [1] Berche 2016 | Table 4, p. 5, row 13 report | ||||
| Full Heusler | -52 kJ/mol-atom | model | [1] Berche 2016 | Table 4, p. 5, row 8 report | |||||
| Full Heusler | -48.62 kJ/mol-atom | 0 | DFT | [1] Berche 2016 | Table 4, p. 5, row 7 report | ||||
| Full Heusler | -45.6 kJ/mol-atom | DFT | [1] Berche 2016 cites Berche 2016 doi | Table 4, p. 5, row 12 report | |||||
| Full Heusler | -43.21 kJ/mol-atom | DFT | [1] Berche 2016 cites Berche 2016 doi | Table 4, p. 5, row 6 report | |||||
| Full Heusler | -13 kJ/mol-atom | model | [1] Berche 2016 | Table 4, p. 5, row 11 report | |||||
| Full Heusler | -12.84 kJ/mol-atom | 0 | DFT | [1] Berche 2016 | Table 4, p. 5, row 10 report | ||||
| Full Heusler | -8.14 kJ/mol-atom | DFT | [1] Berche 2016 cites Berche 2016 doi | Table 4, p. 5, row 9 report | |||||
| Full-D8_8 | -43 kJ/mol-atom | model | [1] Berche 2016 | Table 4, p. 5, row 16 report | |||||
| Full-D8_8 | -41.67 kJ/mol-atom | 0 | DFT | [1] Berche 2016 | Table 4, p. 5, row 15 report | ||||
| Half Heusler | -62.6 kJ/mol-atom | 298.15 | experimental | [1] Berche 2016 cites Yin 2015 doi | Table 4, p. 5, row 4 report | ||||
| Half Heusler | -61.93 kJ/mol-atom | 0 | DFT | [1] Berche 2016 | Table 4, p. 5, row 3 report | ||||
| Half Heusler | -57 kJ/mol-atom | model | [1] Berche 2016 | Table 4, p. 5, row 5 report | |||||
| Half Heusler | -52.79 kJ/mol-atom | DFT | [1] Berche 2016 cites Berche 2016 doi | Table 4, p. 5, row 1 report | |||||
| Half Heusler | -52.6 kJ/mol-atom | 298.15 | experimental | [1] Berche 2016 cites Yin 2015 doi | Table 4, p. 5, row 2 report | ||||
| X6Ni1.5+xSn1.5-x | -37.15 kJ/mol-atom | 0 | DFT | [1] Berche 2016 | Table 4, p. 5, row 20 report | ||||
| X6Ni1.5+xSn1.5-x | -37 kJ/mol-atom | model | [1] Berche 2016 | Table 4, p. 5, row 18 report | |||||
| X6Ni1.5+xSn1.5-x | -22.97 kJ/mol-atom | 0 | DFT | [1] Berche 2016 | Table 4, p. 5, row 17 report | ||||
| X6Ni1.5+xSn1.5-x | -8.89 kJ/mol-atom | 0 | DFT | [1] Berche 2016 | Table 4, p. 5, row 19 report |
Sources
Reporting papers the values were read from (a value cited from another work names that work in its row).
- A. Berche, J.C. Tédenac, P. Jund, Phase diagram and enthalpy of formation of Hf-Ni-Sn, Computational Materials Science 125, 271-277 (2016). doi:10.1016/j.commatsci.2016.08.042