Ca–Ga system

97 accepted literature values from 2 paper(s) (experimental 35, model 23, DFT 27, unspecified 12); 3 calculated phase diagram(s). 8 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (14) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	35
model	23
DFT	27
unspecified	12

Accepted values by property group
Property group	Values
invariant reaction	40
phase transition	7
formation	11
crystal structure	39

Calculated phase diagrams

Binary phase diagrams calculated with pycalphad 0.11.2 from the SGTE binary collection (Hallstedt 2025, CC BY 4.0). Evidence class: model.

Assessments with a calculated phase diagram
TDB file	Assessment	SHA-256	Links
CaGa-07Wan.tdb	J.F. Wang, W.X. Yuan, X. Zhao, W.L. Qian, Z.F. Cai, Calphad, 31, 120-24(2007). doi:10.1016/j.calphad.2006.09.004	`c18186f6a4b0008b6ee7597af5d20701e05e69fbc2726e1de2d5a8b19b6b3dd0`	viewer · TDB · JSON
CaGa-13Li-1.tdb	X. Li, K. Cheng, X. Yuan, D. Zhao, J. Xin, W. Wang, C. Zhang, Y. Du, Calphad, 43, 52-60(2013). doi:10.1016/j.calphad.2013.09.002	`cc3c61d183edd3099084ca7497ac4bea23b353850e52a346e9c113d72201711f`	viewer · TDB · JSON
CaGa-13Li-2.tdb	X. Li, K. Cheng, X. Yuan, D. Zhao, J. Xin, W. Wang, C. Zhang, Y. Du, Calphad, 43, 52-60(2013). doi:10.1016/j.calphad.2013.09.002	`3fce55b3480fdf7c8062781088c489c85075877bece0e959b70efd061238e269`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
CaGa-07Wan.tdb	1243.11	CAGA2 (x(Ga) 0.66667) + CA25GA59 (x(Ga) 0.70238) + LIQUID (x(Ga) 0.71164)
CaGa-07Wan.tdb	1243.1	CAGA2 (x(Ga) 0.66667) + CA25GA59 (x(Ga) 0.70238) + LIQUID (x(Ga) 0.71144)
CaGa-07Wan.tdb	1243.1	CAGA2 (x(Ga) 0.66667) + CA25GA59 (x(Ga) 0.70238) + LIQUID (x(Ga) 0.71132)
CaGa-07Wan.tdb	1166.61	CA25GA59 (x(Ga) 0.70238) + CA3GA8 (x(Ga) 0.72727) + LIQUID (x(Ga) 0.78168)
CaGa-07Wan.tdb	1166.61	CA25GA59 (x(Ga) 0.70238) + CA3GA8 (x(Ga) 0.72727) + LIQUID (x(Ga) 0.78169)
CaGa-07Wan.tdb	1166.61	CA25GA59 (x(Ga) 0.70238) + CA3GA8 (x(Ga) 0.72727) + LIQUID (x(Ga) 0.78155)
CaGa-07Wan.tdb	1166.61	CA25GA59 (x(Ga) 0.70238) + CA3GA8 (x(Ga) 0.72727) + LIQUID (x(Ga) 0.7817)
CaGa-07Wan.tdb	1145.57	LIQUID (x(Ga) 0.55425) + CA3GA5 (x(Ga) 0.625) + CAGA2 (x(Ga) 0.66667)
CaGa-07Wan.tdb	1145.57	LIQUID (x(Ga) 0.55443) + CA3GA5 (x(Ga) 0.625) + CAGA2 (x(Ga) 0.66667)
CaGa-07Wan.tdb	1066.11	LIQUID (x(Ga) 0.49884) + CAGA_B33 (x(Ga) 0.5) + CA3GA5 (x(Ga) 0.625)
CaGa-07Wan.tdb	1066.11	LIQUID (x(Ga) 0.49918) + CAGA_B33 (x(Ga) 0.5) + CA3GA5 (x(Ga) 0.625)
CaGa-07Wan.tdb	1066.11	LIQUID (x(Ga) 0.49874) + CAGA_B33 (x(Ga) 0.5) + CA3GA5 (x(Ga) 0.625)
CaGa-07Wan.tdb	1027.43	CA3GA8 (x(Ga) 0.72727) + CAGA4 (x(Ga) 0.8) + LIQUID (x(Ga) 0.83989)
CaGa-07Wan.tdb	1027.42	CA3GA8 (x(Ga) 0.72727) + CAGA4 (x(Ga) 0.8) + LIQUID (x(Ga) 0.84002)
CaGa-07Wan.tdb	1027.42	CA3GA8 (x(Ga) 0.72727) + CAGA4 (x(Ga) 0.8) + LIQUID (x(Ga) 0.84007)
CaGa-07Wan.tdb	910.69	LIQUID (x(Ga) 0.2989) + CA11GA7 (x(Ga) 0.38889) + CAGA_B33 (x(Ga) 0.5)
CaGa-07Wan.tdb	910.69	LIQUID (x(Ga) 0.29874) + CA11GA7 (x(Ga) 0.38889) + CAGA_B33 (x(Ga) 0.5)
CaGa-07Wan.tdb	910.69	LIQUID (x(Ga) 0.29897) + CA11GA7 (x(Ga) 0.38889) + CAGA_B33 (x(Ga) 0.5)
CaGa-07Wan.tdb	876.95	LIQUID (x(Ga) 0.2565) + CA5GA3_D8L (x(Ga) 0.375) + CA11GA7 (x(Ga) 0.38889)
CaGa-07Wan.tdb	876.95	LIQUID (x(Ga) 0.25646) + CA5GA3_D8L (x(Ga) 0.375) + CA11GA7 (x(Ga) 0.38889)
CaGa-07Wan.tdb	876.95	LIQUID (x(Ga) 0.25683) + CA5GA3_D8L (x(Ga) 0.375) + CA11GA7 (x(Ga) 0.38889)
CaGa-07Wan.tdb	820.01	LIQUID (x(Ga) 0.20089) + CA28GA11 (x(Ga) 0.28205) + CA5GA3_D8L (x(Ga) 0.375)
CaGa-07Wan.tdb	820	LIQUID (x(Ga) 0.20109) + CA28GA11 (x(Ga) 0.28205) + CA5GA3_D8L (x(Ga) 0.375)
CaGa-07Wan.tdb	820	LIQUID (x(Ga) 0.2012) + CA28GA11 (x(Ga) 0.28205) + CA5GA3_D8L (x(Ga) 0.375)
CaGa-07Wan.tdb	787.02	BCC_A2 (x(Ga) 0) + LIQUID (x(Ga) 0.16117) + CA28GA11 (x(Ga) 0.28205)
CaGa-07Wan.tdb	787.02	BCC_A2 (x(Ga) 0) + LIQUID (x(Ga) 0.16104) + CA28GA11 (x(Ga) 0.28205)
CaGa-07Wan.tdb	716.03	BCC_A2 (x(Ga) 0) + FCC_A1 (x(Ga) 0) + CA28GA11 (x(Ga) 0.28205)
CaGa-07Wan.tdb	301.69	CAGA4 (x(Ga) 0.8) + LIQUID (x(Ga) 0.994) + ORTHORHOMBIC_A11 (x(Ga) 1)
CaGa-07Wan.tdb	301.69	CAGA4 (x(Ga) 0.8) + LIQUID (x(Ga) 0.994) + ORTHORHOMBIC_A11 (x(Ga) 1)
CaGa-07Wan.tdb	301.69	CAGA4 (x(Ga) 0.8) + LIQUID (x(Ga) 0.994) + ORTHORHOMBIC_A11 (x(Ga) 1)
CaGa-13Li-1.tdb	1241.66	CAGA2 (x(Ga) 0.66667) + CA25GA59 (x(Ga) 0.70238) + LIQUID (x(Ga) 0.72245)
CaGa-13Li-1.tdb	1241.66	CAGA2 (x(Ga) 0.66667) + CA25GA59 (x(Ga) 0.70238) + LIQUID (x(Ga) 0.72267)
CaGa-13Li-1.tdb	1241.66	CAGA2 (x(Ga) 0.66667) + CA25GA59 (x(Ga) 0.70238) + LIQUID (x(Ga) 0.72231)
CaGa-13Li-1.tdb	1202.84	CA25GA59 (x(Ga) 0.70238) + CA3GA8 (x(Ga) 0.72727) + LIQUID (x(Ga) 0.7747)
CaGa-13Li-1.tdb	1202.84	CA25GA59 (x(Ga) 0.70238) + CA3GA8 (x(Ga) 0.72727) + LIQUID (x(Ga) 0.7749)
CaGa-13Li-1.tdb	1202.84	CA25GA59 (x(Ga) 0.70238) + CA3GA8 (x(Ga) 0.72727) + LIQUID (x(Ga) 0.77452)
CaGa-13Li-1.tdb	1202.84	CA25GA59 (x(Ga) 0.70238) + CA3GA8 (x(Ga) 0.72727) + LIQUID (x(Ga) 0.7749)
CaGa-13Li-1.tdb	1145.75	LIQUID (x(Ga) 0.52507) + CA3GA5 (x(Ga) 0.625) + CAGA2 (x(Ga) 0.66667)
CaGa-13Li-1.tdb	1145.75	LIQUID (x(Ga) 0.52514) + CA3GA5 (x(Ga) 0.625) + CAGA2 (x(Ga) 0.66667)
CaGa-13Li-1.tdb	1072.87	LIQUID (x(Ga) 0.46811) + CAGA_B33 (x(Ga) 0.5) + CA3GA5 (x(Ga) 0.625)
CaGa-13Li-1.tdb	1072.87	LIQUID (x(Ga) 0.46839) + CAGA_B33 (x(Ga) 0.5) + CA3GA5 (x(Ga) 0.625)
CaGa-13Li-1.tdb	1072.87	LIQUID (x(Ga) 0.46806) + CAGA_B33 (x(Ga) 0.5) + CA3GA5 (x(Ga) 0.625)
CaGa-13Li-1.tdb	1021.98	CA3GA8 (x(Ga) 0.72727) + CAGA4 (x(Ga) 0.8) + LIQUID (x(Ga) 0.87153)
CaGa-13Li-1.tdb	1021.98	CA3GA8 (x(Ga) 0.72727) + CAGA4 (x(Ga) 0.8) + LIQUID (x(Ga) 0.87157)
CaGa-13Li-1.tdb	1021.98	CA3GA8 (x(Ga) 0.72727) + CAGA4 (x(Ga) 0.8) + LIQUID (x(Ga) 0.87141)
CaGa-13Li-1.tdb	917.62	LIQUID (x(Ga) 0.31093) + CA11GA7 (x(Ga) 0.38889) + CAGA_B33 (x(Ga) 0.5)
CaGa-13Li-1.tdb	917.61	LIQUID (x(Ga) 0.31057) + CA11GA7 (x(Ga) 0.38889) + CAGA_B33 (x(Ga) 0.5)
CaGa-13Li-1.tdb	917.61	LIQUID (x(Ga) 0.31041) + CA11GA7 (x(Ga) 0.38889) + CAGA_B33 (x(Ga) 0.5)
CaGa-13Li-1.tdb	900.26	LIQUID (x(Ga) 0.28969) + CA5GA3_D8L (x(Ga) 0.375) + CA11GA7 (x(Ga) 0.38889)
CaGa-13Li-1.tdb	900.25	LIQUID (x(Ga) 0.28995) + CA5GA3_D8L (x(Ga) 0.375) + CA11GA7 (x(Ga) 0.38889)
CaGa-13Li-1.tdb	900.25	LIQUID (x(Ga) 0.29007) + CA5GA3_D8L (x(Ga) 0.375) + CA11GA7 (x(Ga) 0.38889)
CaGa-13Li-1.tdb	818.22	LIQUID (x(Ga) 0.21749) + CA28GA11 (x(Ga) 0.28205) + CA5GA3_D8L (x(Ga) 0.375)
CaGa-13Li-1.tdb	818.22	LIQUID (x(Ga) 0.21742) + CA28GA11 (x(Ga) 0.28205) + CA5GA3_D8L (x(Ga) 0.375)
CaGa-13Li-1.tdb	783.25	BCC_A2 (x(Ga) 0) + LIQUID (x(Ga) 0.17259) + CA28GA11 (x(Ga) 0.28205)
CaGa-13Li-1.tdb	783.25	BCC_A2 (x(Ga) 0) + LIQUID (x(Ga) 0.17255) + CA28GA11 (x(Ga) 0.28205)
CaGa-13Li-1.tdb	716.03	FCC_A1 (x(Ga) 0) + BCC_A2 (x(Ga) 0) + CA28GA11 (x(Ga) 0.28205)
CaGa-13Li-1.tdb	302.91	CAGA4 (x(Ga) 0.8) + LIQUID (x(Ga) 0.99999) + ORTHORHOMBIC_A11 (x(Ga) 1)
CaGa-13Li-1.tdb	302.91	CAGA4 (x(Ga) 0.8) + LIQUID (x(Ga) 0.99999) + ORTHORHOMBIC_A11 (x(Ga) 1)
CaGa-13Li-2.tdb	1244.66	CAGA2 (x(Ga) 0.66667) + LIQUID (x(Ga) 0.69387) + CA25GA59 (x(Ga) 0.70238)
CaGa-13Li-2.tdb	1244.66	CAGA2 (x(Ga) 0.66667) + LIQUID (x(Ga) 0.69345) + CA25GA59 (x(Ga) 0.70238)
CaGa-13Li-2.tdb	1244.65	CAGA2 (x(Ga) 0.66667) + LIQUID (x(Ga) 0.69371) + CA25GA59 (x(Ga) 0.70238)
CaGa-13Li-2.tdb	1193.28	CA25GA59 (x(Ga) 0.70238) + CA3GA8 (x(Ga) 0.72727) + LIQUID (x(Ga) 0.77493)
CaGa-13Li-2.tdb	1193.28	CA25GA59 (x(Ga) 0.70238) + CA3GA8 (x(Ga) 0.72727) + LIQUID (x(Ga) 0.77478)
CaGa-13Li-2.tdb	1140.5	LIQUID (x(Ga) 0.55494) + CA3GA5 (x(Ga) 0.625) + CAGA2 (x(Ga) 0.66667)
CaGa-13Li-2.tdb	1140.5	LIQUID (x(Ga) 0.55522) + CA3GA5 (x(Ga) 0.625) + CAGA2 (x(Ga) 0.66667)
CaGa-13Li-2.tdb	1084.71	CAGA_B33 (x(Ga) 0.5) + LIQUID (x(Ga) 0.51652) + CA3GA5 (x(Ga) 0.625)
CaGa-13Li-2.tdb	1084.71	CAGA_B33 (x(Ga) 0.5) + LIQUID (x(Ga) 0.51655) + CA3GA5 (x(Ga) 0.625)
CaGa-13Li-2.tdb	1084.71	CAGA_B33 (x(Ga) 0.5) + LIQUID (x(Ga) 0.51636) + CA3GA5 (x(Ga) 0.625)
CaGa-13Li-2.tdb	1017.54	CA3GA8 (x(Ga) 0.72727) + CAGA4 (x(Ga) 0.8) + LIQUID (x(Ga) 0.86412)
CaGa-13Li-2.tdb	1017.54	CA3GA8 (x(Ga) 0.72727) + CAGA4 (x(Ga) 0.8) + LIQUID (x(Ga) 0.86422)
CaGa-13Li-2.tdb	927.96	LIQUID (x(Ga) 0.35153) + CA11GA7 (x(Ga) 0.38889) + CAGA_B33 (x(Ga) 0.5)
CaGa-13Li-2.tdb	927.95	LIQUID (x(Ga) 0.35129) + CA11GA7 (x(Ga) 0.38889) + CAGA_B33 (x(Ga) 0.5)
CaGa-13Li-2.tdb	880.3	LIQUID (x(Ga) 0.30048) + CA5GA3_D8L (x(Ga) 0.375) + CA11GA7 (x(Ga) 0.38889)
CaGa-13Li-2.tdb	880.3	LIQUID (x(Ga) 0.3003) + CA5GA3_D8L (x(Ga) 0.375) + CA11GA7 (x(Ga) 0.38889)
CaGa-13Li-2.tdb	880.3	LIQUID (x(Ga) 0.30065) + CA5GA3_D8L (x(Ga) 0.375) + CA11GA7 (x(Ga) 0.38889)
CaGa-13Li-2.tdb	820.64	LIQUID (x(Ga) 0.2564) + CA28GA11 (x(Ga) 0.28205) + CA5GA3_D8L (x(Ga) 0.375)
CaGa-13Li-2.tdb	820.64	LIQUID (x(Ga) 0.25662) + CA28GA11 (x(Ga) 0.28205) + CA5GA3_D8L (x(Ga) 0.375)
CaGa-13Li-2.tdb	820.64	LIQUID (x(Ga) 0.2563) + CA28GA11 (x(Ga) 0.28205) + CA5GA3_D8L (x(Ga) 0.375)
CaGa-13Li-2.tdb	769.21	BCC_A2 (x(Ga) 0) + LIQUID (x(Ga) 0.18688) + CA28GA11 (x(Ga) 0.28205)
CaGa-13Li-2.tdb	769.21	BCC_A2 (x(Ga) 0) + LIQUID (x(Ga) 0.18675) + CA28GA11 (x(Ga) 0.28205)
CaGa-13Li-2.tdb	716.03	BCC_A2 (x(Ga) 0) + FCC_A1 (x(Ga) 0) + CA28GA11 (x(Ga) 0.28205)
CaGa-13Li-2.tdb	302.91	CAGA4 (x(Ga) 0.8) + LIQUID (x(Ga) 0.99999) + ORTHORHOMBIC_A11 (x(Ga) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull CaGa-07Wan · CALPHAD hull CaGa-13Li-2

Invariant reactions (literature)

Invariant reactions reported in the literature for the Ca–Ga system (40)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
1253.15	CaGa2 + Liquid -> Ca25Ga59	CaGa2: Ga 0.667; L: Ga 0.71; Ca25Ga59: Ga 0.702	experimental	[1] Li 2013 cites Bruzzone 1966	Table 6, p. 8, row 13 report
1253.15	CaGa2 + Liquid -> Ca25Ga59	CaGa2: Ga 0.693; L: Ga 0.711; Ca25Ga59: Ga 0.702	model	[1] Li 2013	Table 6, p. 8, row 14 report
1253.15	CaGa2 + L -> Ca25Ga39	CaGa2: Ga 0.667; L: Ga 0.71; Ca25Ga39: Ga 0.702	experimental	[2] Wang 2007 cites Bruzzone 1989 doi	Table 3, p. 4, row 16 report
1242.15	CaGa2 + L -> Ca25Ga39	CaGa2: Ga 0.667; L: Ga 0.713; Ca25Ga39: Ga 0.702	model	[2] Wang 2007	Table 3, p. 4, row 15 report
1203.15	Ca25Ga39 + L -> Ca3Ga8	Ca25Ga39: Ga 0.702; L: Ga 0.73; Ca3Ga8: Ga 0.727	experimental	[2] Wang 2007 cites Bruzzone 1989 doi	Table 3, p. 4, row 18 report
1203.15	Ca25Ga59 + Liquid -> Ca3Ga8	Ca25Ga59: Ga 0.702; L: Ga 0.73; Ca3Ga8: Ga 0.727	experimental	[1] Li 2013 cites Bruzzone 1966	Table 6, p. 8, row 15 report
1198.15	Ca25Ga59 + Liquid -> Ca3Ga8	Ca25Ga59: Ga 0.777; L: Ga 0.78; Ca3Ga8: Ga 0.727	model	[1] Li 2013	Table 6, p. 8, row 16 report
1166.15	Ca25Ga39 + L -> Ca3Ga8	Ca25Ga39: Ga 0.702; L: Ga 0.781; Ca3Ga8: Ga 0.727	model	[2] Wang 2007	Table 3, p. 4, row 17 report
1147.15	Liquid + CaGa2 -> Ca3Ga5	L: Ga 0.554; CaGa2: Ga 0.667; Ca3Ga5: Ga 0.625	model	[1] Li 2013	Table 6, p. 8, row 12 report
1146.15	L + CaGa2 -> Ca3Ga5	L: Ga 0.555; CaGa2: Ga 0.667; Ca3Ga5: Ga 0.625	model	[2] Wang 2007	Table 3, p. 4, row 11 report
1146.15	L + CaGa2 -> Ca3Ga5	L: Ga 0.527; CaGa2: Ga 0.667; Ca3Ga5: Ga 0.625	experimental	[2] Wang 2007 cites Bruzzone 1966	Table 3, p. 4, row 12 report
1146.15	Liquid + CaGa2 -> Ca3Ga5	L: Ga 0.527; CaGa2: Ga 0.667; Ca3Ga5: Ga 0.625	experimental	[1] Li 2013 cites Bruzzone 1966	Table 6, p. 8, row 11 report
1091.15	Liquid + Ca3Ga5 -> CaGa	L: Ga 0.516; Ca3Ga5: Ga 0.625; CaGa: Ga 0.5	model	[1] Li 2013	Table 6, p. 8, row 10 report
1068.15	L + Ca3Ga5 -> CaGa	L: Ga 0.453; Ca3Ga5: Ga 0.625; CaGa: Ga 0.5	experimental	[2] Wang 2007 cites Bruzzone 1966	Table 3, p. 4, row 10 report
1068.15	Liquid + Ca3Ga5 -> CaGa	L: Ga 0.453; Ca3Ga5: Ga 0.625; CaGa: Ga 0.5	experimental	[1] Li 2013 cites Bruzzone 1966	Table 6, p. 8, row 9 report
1066.15	L + Ca3Ga5 -> CaGa	L: Ga 0.499; Ca3Ga5: Ga 0.625; CaGa: Ga 0.5	model	[2] Wang 2007	Table 3, p. 4, row 9 report
1024.15	Ca3Ga8 + L -> CaGa4	Ca3Ga8: Ga 0.727; L: Ga 0.842; CaGa4: Ga 0.8	model	[2] Wang 2007	Table 3, p. 4, row 19 report
1023.15	Ca3Ga8 + Liquid -> CaGa4	Ca3Ga8: Ga 0.727; L: Ga 0.83; CaGa4: Ga 0.8	experimental	[1] Li 2013 cites Bruzzone 1966	Table 6, p. 8, row 17 report
1023.15	Ca3Ga8 + L -> CaGa4	Ca3Ga8: Ga 0.727; L: Ga 0.83; CaGa4: Ga 0.8	experimental	[2] Wang 2007 cites Bruzzone 1989 doi	Table 3, p. 4, row 20 report
1022.15	Ca3Ga8 + Liquid -> CaGa4	Ca3Ga8: Ga 0.865; L: Ga 0.872; CaGa4: Ga 0.8	model	[1] Li 2013	Table 6, p. 8, row 18 report
934.15	Liquid + CaGa -> Ca11Ga7	L: Ga 0.351; CaGa: Ga 0.5; Ca11Ga7: Ga 0.389	model	[1] Li 2013	Table 6, p. 8, row 8 report
913.15	L + CaGa -> Ca11Ga7	L: Ga 0.277; CaGa: Ga 0.5; Ca11Ga7: Ga 0.389	experimental	[2] Wang 2007 cites Bruzzone 1966	Table 3, p. 4, row 8 report
913.15	Liquid + CaGa -> Ca11Ga7	L: Ga 0.277; CaGa: Ga 0.5; Ca11Ga7: Ga 0.389	experimental	[1] Li 2013 cites Bruzzone 1966	Table 6, p. 8, row 7 report
910.15	L + CaGa -> Ca11Ga7	L: Ga 0.299; CaGa: Ga 0.5; Ca11Ga7: Ga 0.389	model	[2] Wang 2007	Table 3, p. 4, row 7 report
886.15	Liquid + Ca11Ga7 -> Ca5Ga3	L: Ga 0.3; Ca11Ga7: Ga 0.389; Ca5Ga3: Ga 0.375	model	[1] Li 2013	Table 6, p. 8, row 6 report
883.15	L + Ca11Ga7 -> Ca5Ga3	L: Ga 0.247; Ca11Ga7: Ga 0.389; Ca5Ga3: Ga 0.375	experimental	[2] Wang 2007 cites Bruzzone 1966	Table 3, p. 4, row 6 report
883.15	Liquid + Ca11Ga7 -> Ca5Ga3	L: Ga 0.247; Ca11Ga7: Ga 0.389; Ca5Ga3: Ga 0.375	experimental	[1] Li 2013 cites Bruzzone 1966	Table 6, p. 8, row 5 report
879.15	L + Ca11Ga7 -> Ca5Ga3	L: Ga 0.259; Ca11Ga7: Ga 0.389; Ca5Ga3: Ga 0.375	model	[2] Wang 2007	Table 3, p. 4, row 5 report
824.15	Liquid + Ca5Ga3 ↔ Ca28Ga11	Liquid: Ga 0.255; Ca5Ga3: Ga 0.375; Ca28Ga11: Ga 0.282	model	[1] Li 2013	Table 6, p. 8, row 4 report
820.15	L + Ca5Ga3 -> Ca28Ga11	L: Ga 0.201; Ca5Ga3: Ga 0.375; Ca28Ga11: Ga 0.282	model	[2] Wang 2007	Table 3, p. 4, row 3 report
818.15	Liquid + Ca5Ga3 ↔ Ca28Ga11	Liquid: Ga 0.2; Ca5Ga3: Ga 0.375; Ca28Ga11: Ga 0.282	experimental	[1] Li 2013 cites Bruzzone 1966	Table 6, p. 8, row 3 report
818.15	L + Ca5Ga3 -> Ca28Ga11	L: Ga 0.2; Ca5Ga3: Ga 0.375; Ca28Ga11: Ga 0.282	experimental	[2] Wang 2007 cites Bruzzone 1966	Table 3, p. 4, row 4 report
787.15	eutectic: L -> Ca + Ca28Ga11	L: Ga 0.161; Ca: Ga 0; Ca28Ga11: Ga 0.282	model	[2] Wang 2007	Table 3, p. 4, row 1 report
785.15	eutectic: Liquid -> (Ca) + Ga28Ca11	L: Ga 0.161; (Ca): Ga 0; Ga28Ca11: Ga 0.282	experimental	[1] Li 2013 cites Bruzzone 1966	Table 6, p. 8, row 1 report
785.15	eutectic: L -> Ca + Ca28Ga11	L: Ga 0.161; Ca: Ga 0; Ca28Ga11: Ga 0.282	experimental	[2] Wang 2007 cites Bruzzone 1966	Table 3, p. 4, row 2 report
773.15	eutectic: Liquid -> (Ca) + Ga28Ca11	L: Ga 0.186; (Ca): Ga 0; Ga28Ca11: Ga 0.282	model	[1] Li 2013	Table 6, p. 8, row 2 report
303.15	eutectic: Liquid -> CaGa4 + (Ga)	L: Ga 1; CaGa4: Ga 0.8; (Ga): Ga 1	model	[1] Li 2013	Table 6, p. 8, row 20 report
302.15	eutectic: Liquid -> CaGa4 + (Ga)	L: Ga 0.994; CaGa4: Ga 0.8; (Ga): Ga 1	experimental	[1] Li 2013 cites Bruzzone 1966	Table 6, p. 8, row 19 report
302.15	eutectic: L -> CaGa4 + Ga	L: Ga 0.994; CaGa4: Ga 0.8; Ga: Ga 1	experimental	[2] Wang 2007 cites Bruzzone 1989 doi	Table 3, p. 4, row 22 report
301.85	eutectic: L -> CaGa4 + Ga	L: Ga 0.994; CaGa4: Ga 0.8; Ga: Ga 1	model	[2] Wang 2007	Table 3, p. 4, row 21 report

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.

Enthalpies of formation, Ca–Ga system (11)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Ca11Ga7		-37.258 kJ/mol-atom	0	DFT			[1] Li 2013	Table 2, p. 3, row 3 report
Ca28Ga11		-29.826 kJ/mol-atom	0	DFT			[1] Li 2013	Table 2, p. 3, row 1 report
Ca3Ga5		-48.725 kJ/mol-atom	0	DFT			[1] Li 2013	Table 2, p. 3, row 5 report
Ca3Ga8		-41.02 kJ/mol-atom	0	DFT			[1] Li 2013	Table 2, p. 3, row 9 report
Ca3Ga8	Ca3Ga8	-25.4 kJ/mol-atom ± 2.4	298.15	experimental	-42.173 (mp-aaaaasrb)	-42.5 (oqmd-18922)	[1] Li 2013 cites Reddy 1999 doi	Table 2, p. 3, row 10 report
Ca5Ga3		-35.868 kJ/mol-atom	0	DFT			[1] Li 2013	Table 2, p. 3, row 2 report
CaGa		-44.545 kJ/mol-atom	0	DFT			[1] Li 2013	Table 2, p. 3, row 4 report
CaGa2		-49.254 kJ/mol-atom	0	DFT			[1] Li 2013	Table 2, p. 3, row 6 report
CaGa2	CaGa2	-38.8 kJ/mol-atom ± 4.8		unspecified	-50.078 (mp-aaaaaqsa)	-50.802 (oqmd-28952)	[1] Li 2013	Table 2, p. 3, row 7 report
CaGa4		-34.155 kJ/mol-atom	0	DFT			[1] Li 2013	Table 2, p. 3, row 11 report
CaGa4	CaGa4	-24.9 kJ/mol-atom ± 4.9	298.15	experimental	-35.27 (mp-aaaaacya)	-35.178 (oqmd-647536)	[1] Li 2013 cites Reddy 1999 doi	Table 2, p. 3, row 12 report

Other properties

Phase transition (7)

Phase transition, Ca–Ga system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	883.15 K	883.15	L + Ca11 Ga7 ↔ Ca5 Ga3	experimental	[2] Wang 2007 cites Bruzzone 1966	p. 4 report	A satisfactory agreement is obtained between the calculated and experimental data with the largest difference of 4 ◦ C, where the data of [17] was at 610 ◦ C on the invariant equilibrium of L + Ca11 Ga7 ↔ Ca5 Ga3 .
Phase transition	1259.15 K	1259.15	Liquid -> CaGa2 L: Ga 0.667; CaGa2: Ga 0.667	model	[1] Li 2013	Table 6, p. 8, row 22 report
Phase transition	1263.15 K	1263.15	L -> CaGa2 L: Ga 0.667; CaGa2: Ga 0.667	experimental	[2] Wang 2007 cites Bruzzone 1966	Table 3, p. 4, row 14 report
Phase transition	1263.15 K	1263.15	Liquid -> CaGa2 L: Ga 0.667; CaGa2: Ga 0.667	experimental	[1] Li 2013 cites Bruzzone 1966	Table 6, p. 8, row 21 report
Phase transition	1263.15 K	1263.15	congruent transformation	experimental	[2] Wang 2007	p. 2 report	CaGa2 remains the only phase with a congruent melting point at 990 ◦ C.
Phase transition	1264.15 K	1264.15	L -> CaGa2 L: Ga 0.667; CaGa2: Ga 0.667	model	[2] Wang 2007	Table 3, p. 4, row 13 report
Phase transition	1264.15 K	1264.15	congruent transformation	model	[2] Wang 2007	p. 4 report	The calculated congruent-melting point of the CaGa2 phase is 991 ◦ C, which fits well with the work of Bruzzone [17].

Crystal structure (39)

Crystal structure, Ca–Ga system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	16.072 Å	0	Ca11Ga7 alloy: Ca 0.611111, Ga 0.388889	DFT	[1] Li 2013	Table 1, p. 2, row 31 report
Lattice a	5.551 Å	0	Ca28Ga11 alloy: Ca 0.717949, Ga 0.282051	DFT	[1] Li 2013	Table 1, p. 2, row 29 report
Lattice a	4.45 Å	0	Ca3Ga5 alloy: Ca 0.375, Ga 0.625	DFT	[1] Li 2013	Table 1, p. 2, row 37 report
Lattice a	4.301 Å	0	Ca3Ga8 alloy: Ca 0.272727, Ga 0.727273	DFT	[1] Li 2013	Table 1, p. 2, row 41 report
Lattice a	7.92 Å	0	Ca5Ga3 alloy: Ca 0.625, Ga 0.375	DFT	[1] Li 2013	Table 1, p. 2, row 33 report
Lattice a	4.187 Å	0	CaGa alloy: Ca 0.5, Ga 0.5	DFT	[1] Li 2013	Table 1, p. 2, row 35 report
Lattice a	4.451 Å	0	CaGa2 alloy: Ca 0.333333, Ga 0.666667	DFT	[1] Li 2013	Table 1, p. 2, row 39 report
Lattice a	6.173 Å	0	CaGa4 alloy: Ca 0.2, Ga 0.8	DFT	[1] Li 2013	Table 1, p. 2, row 43 report
Lattice a	16.109 Å	298.15	Ca11Ga7 alloy: Ca 0.611111, Ga 0.388889	experimental	[1] Li 2013 cites Fornasini 1989 doi	Table 1, p. 2, row 30 report
Lattice a	4.315 Å	298.15	Ca25Ga59 alloy: Ca 0.297619, Ga 0.702381	experimental	[1] Li 2013 cites Bruzzone 1989 doi	Table 1, p. 2, row 44 report
Lattice a	5.324 Å	298.15	Ca28Ga11 alloy: Ca 0.717949, Ga 0.282051	unspecified	[1] Li 2013 cites Fornasini 1986	Table 1, p. 2, row 28 report
Lattice a	4.463 Å	298.15	Ca3Ga5 alloy: Ca 0.375, Ga 0.625	unspecified	[1] Li 2013 cites Cordier 1986 doi	Table 1, p. 2, row 36 report
Lattice a	4.323 Å	298.15	Ca3Ga8 alloy: Ca 0.272727, Ga 0.727273	unspecified	[1] Li 2013 cites Bruzzone 1988	Table 1, p. 2, row 40 report
Lattice a	7.954 Å	298.15	Ca5Ga3 alloy: Ca 0.625, Ga 0.375	experimental	[1] Li 2013 cites Bruzzone 1978 doi	Table 1, p. 2, row 32 report
Lattice a	4.191 Å	298.15	CaGa alloy: Ca 0.5, Ga 0.5	experimental	[1] Li 2013 cites Merlo 1986 doi	Table 1, p. 2, row 34 report
Lattice a	4.467 Å	298.15	CaGa2 alloy: Ca 0.333333, Ga 0.666667	experimental	[1] Li 2013 cites Bruzzone 1989 doi	Table 1, p. 2, row 38 report
Lattice a	6.184 Å	298.15	CaGa4 alloy: Ca 0.2, Ga 0.8	unspecified	[1] Li 2013 cites He 1989	Table 1, p. 2, row 42 report
Lattice b	7.5 Å	0	Ca28Ga11 alloy: Ca 0.717949, Ga 0.282051	DFT	[1] Li 2013	Table 1, p. 2, row 29 report
Lattice b	10.821 Å	0	Ca3Ga5 alloy: Ca 0.375, Ga 0.625	DFT	[1] Li 2013	Table 1, p. 2, row 37 report
Lattice b	11.48 Å	0	CaGa alloy: Ca 0.5, Ga 0.5	DFT	[1] Li 2013	Table 1, p. 2, row 35 report
Lattice b	6.131 Å	0	CaGa4 alloy: Ca 0.2, Ga 0.8	DFT	[1] Li 2013	Table 1, p. 2, row 43 report
Lattice b	7.488 Å	298.15	Ca28Ga11 alloy: Ca 0.717949, Ga 0.282051	unspecified	[1] Li 2013 cites Fornasini 1986	Table 1, p. 2, row 28 report
Lattice b	10.799 Å	298.15	Ca3Ga5 alloy: Ca 0.375, Ga 0.625	unspecified	[1] Li 2013 cites Cordier 1986 doi	Table 1, p. 2, row 36 report
Lattice b	11.457 Å	298.15	CaGa alloy: Ca 0.5, Ga 0.5	experimental	[1] Li 2013 cites Merlo 1986 doi	Table 1, p. 2, row 34 report
Lattice b	6.132 Å	298.15	CaGa4 alloy: Ca 0.2, Ga 0.8	unspecified	[1] Li 2013 cites He 1989	Table 1, p. 2, row 42 report
Lattice c	31.237 Å	0	Ca28Ga11 alloy: Ca 0.717949, Ga 0.282051	DFT	[1] Li 2013	Table 1, p. 2, row 29 report
Lattice c	15.003 Å	0	Ca3Ga5 alloy: Ca 0.375, Ga 0.625	DFT	[1] Li 2013	Table 1, p. 2, row 37 report
Lattice c	25.86 Å	0	Ca3Ga8 alloy: Ca 0.272727, Ga 0.727273	DFT	[1] Li 2013	Table 1, p. 2, row 41 report
Lattice c	15.072 Å	0	Ca5Ga3 alloy: Ca 0.625, Ga 0.375	DFT	[1] Li 2013	Table 1, p. 2, row 33 report
Lattice c	4.362 Å	0	CaGa alloy: Ca 0.5, Ga 0.5	DFT	[1] Li 2013	Table 1, p. 2, row 35 report
Lattice c	7.411 Å	0	CaGa2 alloy: Ca 0.333333, Ga 0.666667	DFT	[1] Li 2013	Table 1, p. 2, row 39 report
Lattice c	6.104 Å	0	CaGa4 alloy: Ca 0.2, Ga 0.8	DFT	[1] Li 2013	Table 1, p. 2, row 43 report
Lattice c	31.064 Å	298.15	Ca28Ga11 alloy: Ca 0.717949, Ga 0.282051	unspecified	[1] Li 2013 cites Fornasini 1986	Table 1, p. 2, row 28 report
Lattice c	15.025 Å	298.15	Ca3Ga5 alloy: Ca 0.375, Ga 0.625	unspecified	[1] Li 2013 cites Cordier 1986 doi	Table 1, p. 2, row 36 report
Lattice c	25.843 Å	298.15	Ca3Ga8 alloy: Ca 0.272727, Ga 0.727273	unspecified	[1] Li 2013 cites Bruzzone 1988	Table 1, p. 2, row 40 report
Lattice c	15.084 Å	298.15	Ca5Ga3 alloy: Ca 0.625, Ga 0.375	experimental	[1] Li 2013 cites Bruzzone 1978 doi	Table 1, p. 2, row 32 report
Lattice c	4.387 Å	298.15	CaGa alloy: Ca 0.5, Ga 0.5	experimental	[1] Li 2013 cites Merlo 1986 doi	Table 1, p. 2, row 34 report
Lattice c	7.393 Å	298.15	CaGa2 alloy: Ca 0.333333, Ga 0.666667	experimental	[1] Li 2013 cites Bruzzone 1989 doi	Table 1, p. 2, row 38 report
Lattice c	6.12 Å	298.15	CaGa4 alloy: Ca 0.2, Ga 0.8	unspecified	[1] Li 2013 cites He 1989	Table 1, p. 2, row 42 report

Sources

Reporting papers the values were read from (a value cited from another work names that work in its row).

Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang et al., Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations, Calphad 43, 52-60 (2013). doi:10.1016/j.calphad.2013.09.002
J.F. Wang, W.X. Yuan, X. Zhao, W.L. Qian, Z.F. Cai, Thermodynamic description of the Ca–Ga system, Calphad 31, 120-124 (2007). doi:10.1016/j.calphad.2006.09.004

Please cite

R. Arróyave, J. Saal, D. Shin, ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735569
R. Arróyave, J. Saal, D. Shin, ORCHID-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735859
R. Arróyave, J. Saal, D. Shin, ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD) (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735891
R. Arróyave, J. Saal, D. Shin, ORCHID data: umbrella record of the ORCHID datasets (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23736065

Also cite the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work); B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, https://doi.org/10.1016/j.calphad.2025.102833 (CC BY 4.0), and the original assessment named in each file; A. Jain et al., The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002, https://doi.org/10.1063/1.4812323 (CC BY 4.0); J. E. Saal et al., JOM 65 (2013) 1501, https://doi.org/10.1007/s11837-013-0755-4 and S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010, https://doi.org/10.1038/npjcompumats.2015.10 (CC BY 4.0). Version 1, machine-extracted: values were read by language-model readers constrained to quote their source and checked automatically, and the release was then audited on the printed pages by adversarial audits, an independent second review of fit-facing records and a preliminary human review of a frozen sample. Flags such as accepted and ESPEI-ready record screening results, not certification; known issues are listed in the release notes.

@misc{orchid_literature_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735569},
  url       = {https://doi.org/10.5281/zenodo.23735569},
  note      = {Version 1, machine-extracted}
}

@misc{orchid_phase_diagrams_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Diagrams: calculated binary phase diagrams}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735859},
  url       = {https://doi.org/10.5281/zenodo.23735859}
}

@misc{orchid_hulls_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD)}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735891},
  url       = {https://doi.org/10.5281/zenodo.23735891}
}

@misc{orchid_data_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID data: umbrella record of the ORCHID datasets}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23736065},
  url       = {https://doi.org/10.5281/zenodo.23736065},
  note      = {Version 1, machine-extracted}
}