# Development of a CALPHAD Thermodynamic Database for Pu-U-Fe-Ga Alloys
## 4 Crystal Structure
### Pu-Fe Assessment
** \\ \hline
**1 Congruent** & \(\alpha^{*}\)**\(\leftrightarrow\)**\(\beta\)-Fe\({}_{5}\)Ga** & 72.5 & 72.5 & 72.5 & 680/953 & [65] \\  & & 75 & 75 & 75 & 703/976 & This work \\
**2 Peritectic** & L + \(\alpha^{*}\)**\(\leftrightarrow\)**\({}_{5}\)Ga\({}_{4}\)** & 38.2 & 52/52.5 & 43 & 906/1173 & [64, 65, 66] \\  & & 39.7 & 49.3 & 42.9 & 911/1178 & This work \\
**3 Peritectic** & L + Fe\({}_{5}\)Ga\({}_{4}\)**\(\leftrightarrow\)**\(\alpha\)**-FeGa\({}_{3}\)** & 18.5 & 42 & 25 & 824/1097 & [65, 66] \\  & & 28.4 & 42.9 & 25 & 825/1097 & This work \\
**4 Peritectic** & L + Fe\({}_{5}\)Ga\({}_{4}\)**\(\leftrightarrow\)**\(\alpha\)-Ga** & 0.1 & 25 & - & 34/307 & [65, 66] \\  & & 0.1 & 25 & - & 34/303 & This work \\
**5 Peritectoid** & \(\alpha^{*}\)**\(\leftrightarrow\)**\(\beta\)-Fe\({}_{5}\)Ga\({}_{5}\)** & 58 & 43.5 & 55 & 800/1073 & [65, 66] \\  & & 54.7 & 42.9 & 54.6 & 800/1073 & This work \\
**6 Peritectoid** & \(\beta\)**-Fe\({}_{5}\)Ga\({}_{5}\)** + Fe\({}_{5}\)Ga\({}_{4}\)**\(\leftrightarrow\)**-Fe\({}_{5}\)Ga\({}_{5}\)** & 54.5 & 43.5 & 54.5 & 778/1051 & [65, 66] \\  & & - & - & - & - & This work \\
**7 Peritectoid** & \(\beta\)**-Fe\({}_{5}\)Ga\({}_{4}\)** + Fe\({}_{5}\)Ga\({}_{5}\)**+\(\alpha\)-Fe\({}_{5}\)Ga** & 71 & 56.5 & 708 & 619/892 & [65, 66] \\  & & - & - & - & - & This work \\
**8 Eutectoid** & \(\beta\)**-Fe\({}_{5}\)Ga\({}_{5}\)**+\(\alpha^{*}\)**\(\alpha^{*}\)** + \(\alpha\)-Fe\({}_{5}\)Ga\({}_{5}\)** & 55.5 & 59 & 55.5 & 770/1043 & [65, 66] \\  & & - & - & - & - & This work \\
**9 Eutectoid** & \(\alpha^{*}\)**\(\leftrightarrow\)**\(\beta\)-Fe\({}_{5}\)Ga + Fe\({}_{5}\)Ga\({}_{5}\)** & 66.5 & 71 & 56.5 & 625/898 & [65, 66] \\  & & 67.1 & 75 & 56.5 & 605/883 & This work \\
**10 Eutectoid** & \(\beta\)**-Fe\({}_{5}\)Ga\({}_{5}\)**\(\leftrightarrow\)**\(\alpha^{*}\)** + \(\alpha\)-Fe\({}_{5}\)Ga** & 74 & 75 & 73.8 & 605/878 & [65, 66] \\  & & - & - & - & - & This work \\
**11 Eutectoid** & \(\alpha^{*}\)**\(\leftrightarrow\)**\(\alpha\)**-Fe + \(\alpha\)-Fe\({}_{5}\)Ga** & 76.6 & 79.4 & 73.7 & 588/861 & [65, 66] \\  & & - & - & - & - & This work \\
**12 Congruent** & L + PuFe\({}_{2}\) & 66.67 & 66.67 & 66.67 & 1240/1513 & [45] \\  & & 66.67 & 66.67 & 66.67 & 1240/1513 & This work \\  & & 66.67 & 66.67 & 66.67 & 1240/1513 & This work \\
**13 Peritectic** & L + PuFe\({}_{2}\)\(\leftrightarrow\)**\(\mu\)**\({}_{4}\)Fe** & 11.5 & 66.67 & 14.29 & 428/701 & [45] \\  & & 11.3 & 66.67 & 14.29 & 423.5/696.5 & This work \\  & & 13.7 & 66.67 & 14.29 & 429.2/702.2 & [3] \\
**14 Catatectic** & L + \(\delta\)-Fe\(\leftrightarrow\)**\(\gamma\)-Fe & 94 & 98.8 & 100 & 140/1673 & [44] \\  & & 92.9 & 99.6 & 100 & 140/1675 & This work \\  & & 92.9 & 98.6 & 100 & 140/1677 & [3] \\
**15 Catatectic** & L + \(\delta\)-Pu\(\leftrightarrow\)**\(\varepsilon\)-Pu & 8.5 & 1.3 & 2.4 & 430/703 & [45] \\  & & 8.7 & 0.9 & 2.7 & 429.5/702.5 & This work \\  & & 7.6 & 0.4 & 1.9 & 444.5/16.5 & [3] \\
**16 Eutectoid** & \(\gamma\)**-Fe\(\leftrightarrow\)**\(\alpha\)-Fe + PuFe\({}_{2}\)** & 99 & 100 & 66.67 & 907/1180 & [46] \\  & & 99.7 & 100 & 66.67 & 905/1178 & This work \\  & & 98.9 & 100 & 66.67 & 894/1166 & [3] \\
**17 Eutectic** & L + \(\gamma\)**-Fe + PuFe\({}_{2}\) & 82 & 98.8 & 66.7 & 1166/1438 & [45] \\  & & 81.2 & 98.9 & 66.7 & 1164/1437 & This work \\  & & 81.2 & 97 & 66.7 & 1135/1408 & [3] \\
**18 Eutectic** & L + \(\delta\)-Pu + PuFe\({}_{5}\) & 9.5 & 0.5 & 14.29 & 413/686 & [46] \\  & & 9.35 & 0.9 & 14.29 & 416.6/689.6 & This work \\  & & 8.9 & 0.4 & 14.29 & 420/693 & [3] \\
**19 Congruent** & L + UFe\({}_{2}\) & 66.67 & 66.67 & 66.67 & 1230/1503 & [55] \\  & & 66.67 & 66.67 & 66.67 & 1230/1503 & This work \\  & & 66.67 & 66.67 & 66.67 & 1227/1503 & [4] \\
**20 Peritectic** & L + \(\gamma\)**-U**\(\leftrightarrow\)**\(\mu\)**\({}_{6}\)Fe** & 15 & 1.5 & 14.39 & 832/1102 & [64] \\  & & 15.25 & 1.32 & 14.29 & 832/1102 & This work \\  & & 15.06 & 1.35 & 14.29 & 834/1104 & [4] \\  & & 19.09 & 1.14 & 14.29 & 1075.5 & [Since the relaxed structure calculations using FPLMTO resulted in a less stable formation enthalpy, it is regarded as a more suitable starting point for fitting the PuFe\({}_{2}\) intermetallic.