Al–Ba system

130 accepted literature values from 3 paper(s) (experimental 59, model 49, DFT 16, unspecified 6); 3 calculated phase diagram(s). 11 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 (8) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	59
model	49
DFT	16
unspecified	6

Accepted values by property group
Property group	Values
invariant reaction	56
phase transition	16
formation	34
crystal structure	24

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
AlBa-16Bao.tdb	X. Bao, L. Liu, Y. Jiang, Y. Jiang, C. Mao, X. Li, L. Zhang, J. Phase Equilib. Diffus., 37, 345-49(2016). doi:10.1007/s11669-016-0466-y	`8449c815abb5e15a9d6ae544201edea4eafb063ee29b5b0fa4fde1426963b0c3`	viewer · TDB · JSON
AlBa-17Azz.tdb	H. Azza, N. Selhaoui, K. Achgar, Eur. Phys. J. Spec. Topics, 226, 1143-50(2017). doi:10.1140/epjst/e2016-60183-4	`b714036187c03e1c08a52c0254cf4a0ddbf28acbfa9866656f895819caea1a97`	viewer · TDB · JSON
AlBa-19Ben.tdb	R. Benhafid, A. Belgacem Bouzida, Y. Djaballah, A. Candan, A. Iyigör, G. Ugur, J. Phase Equilib. Diffus., 40, 195-205(2019). doi:10.1007/s11669-019-00714-2	`75aa4cde7e1bdd7e467d6effe3672ebbf6bca18c1a3eb9bbe524548ebca75056`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
AlBa-16Bao.tdb	1185.6	AL4BA_D13 (x(Ba) 0.2) + AL13BA7 (x(Ba) 0.35) + LIQUID (x(Ba) 0.38276)
AlBa-16Bao.tdb	1185.59	AL4BA_D13 (x(Ba) 0.2) + AL13BA7 (x(Ba) 0.35) + LIQUID (x(Ba) 0.38305)
AlBa-16Bao.tdb	1185.59	AL4BA_D13 (x(Ba) 0.2) + AL13BA7 (x(Ba) 0.35) + LIQUID (x(Ba) 0.38316)
AlBa-16Bao.tdb	996.62	AL13BA7 (x(Ba) 0.35) + AL5BA4 (x(Ba) 0.44444) + LIQUID (x(Ba) 0.57091)
AlBa-16Bao.tdb	996.61	AL13BA7 (x(Ba) 0.35) + AL5BA4 (x(Ba) 0.44444) + LIQUID (x(Ba) 0.57122)
AlBa-16Bao.tdb	996.61	AL13BA7 (x(Ba) 0.35) + AL5BA4 (x(Ba) 0.44444) + LIQUID (x(Ba) 0.57132)
AlBa-16Bao.tdb	932.03	FCC_A1 (x(Ba) 0) + LIQUID (x(Ba) 0.00212) + AL4BA_D13 (x(Ba) 0.2)
AlBa-16Bao.tdb	932.03	FCC_A1 (x(Ba) 0) + LIQUID (x(Ba) 0.00208) + AL4BA_D13 (x(Ba) 0.2)
AlBa-16Bao.tdb	800	AL5BA4 (x(Ba) 0.44444) + LIQUID (x(Ba) 0.75582) + BCC_A2 (x(Ba) 0.99994)
AlBa-16Bao.tdb	800	AL5BA4 (x(Ba) 0.44444) + LIQUID (x(Ba) 0.75592) + BCC_A2 (x(Ba) 0.99994)
AlBa-17Azz.tdb	1186.85	AL4BA_D13 (x(Ba) 0.2) + AL13BA7 (x(Ba) 0.35) + LIQUID (x(Ba) 0.35957)
AlBa-17Azz.tdb	1186.85	AL4BA_D13 (x(Ba) 0.2) + AL13BA7 (x(Ba) 0.35) + LIQUID (x(Ba) 0.35935)
AlBa-17Azz.tdb	1186.85	AL4BA_D13 (x(Ba) 0.2) + AL13BA7 (x(Ba) 0.35) + LIQUID (x(Ba) 0.35961)
AlBa-17Azz.tdb	1006.06	AL13BA7 (x(Ba) 0.35) + AL5BA3 (x(Ba) 0.375) + LIQUID (x(Ba) 0.5252)
AlBa-17Azz.tdb	1006.06	AL13BA7 (x(Ba) 0.35) + AL5BA3 (x(Ba) 0.375) + LIQUID (x(Ba) 0.52504)
AlBa-17Azz.tdb	1006.06	AL13BA7 (x(Ba) 0.35) + AL5BA3 (x(Ba) 0.375) + LIQUID (x(Ba) 0.52522)
AlBa-17Azz.tdb	999.99	AL13BA7 (x(Ba) 0.35) + BCC_A2 (x(Ba) 1) + LIQUID (x(Ba) 1)
AlBa-17Azz.tdb	998.6	AL5BA3 (x(Ba) 0.375) + AL5BA4 (x(Ba) 0.44444) + LIQUID (x(Ba) 0.53001)
AlBa-17Azz.tdb	998.6	AL5BA3 (x(Ba) 0.375) + AL5BA4 (x(Ba) 0.44444) + LIQUID (x(Ba) 0.53016)
AlBa-17Azz.tdb	933.38	FCC_A1 (x(Ba) 0) + LIQUID (x(Ba) 1.300e-4) + AL4BA_D13 (x(Ba) 0.2)
AlBa-17Azz.tdb	800.69	AL5BA4 (x(Ba) 0.44444) + LIQUID (x(Ba) 0.70009) + BCC_A2 (x(Ba) 0.96601)
AlBa-17Azz.tdb	800.69	AL5BA4 (x(Ba) 0.44444) + LIQUID (x(Ba) 0.70015) + BCC_A2 (x(Ba) 0.96605)
AlBa-19Ben.tdb	1197.08	AL4BA_D13 (x(Ba) 0.2) + AL13BA7 (x(Ba) 0.35) + LIQUID (x(Ba) 0.35442)
AlBa-19Ben.tdb	1197.08	AL4BA_D13 (x(Ba) 0.2) + AL13BA7 (x(Ba) 0.35) + LIQUID (x(Ba) 0.35447)
AlBa-19Ben.tdb	1197.08	AL4BA_D13 (x(Ba) 0.2) + AL13BA7 (x(Ba) 0.35) + LIQUID (x(Ba) 0.35424)
AlBa-19Ben.tdb	1024.66	AL13BA7 (x(Ba) 0.35) + AL5BA3 (x(Ba) 0.375) + LIQUID (x(Ba) 0.51732)
AlBa-19Ben.tdb	1024.66	AL13BA7 (x(Ba) 0.35) + AL5BA3 (x(Ba) 0.375) + LIQUID (x(Ba) 0.51724)
AlBa-19Ben.tdb	1024.66	AL13BA7 (x(Ba) 0.35) + AL5BA3 (x(Ba) 0.375) + LIQUID (x(Ba) 0.51748)
AlBa-19Ben.tdb	1003.15	AL5BA3 (x(Ba) 0.375) + AL5BA4 (x(Ba) 0.44444) + LIQUID (x(Ba) 0.53206)
AlBa-19Ben.tdb	1003.15	AL5BA3 (x(Ba) 0.375) + AL5BA4 (x(Ba) 0.44444) + LIQUID (x(Ba) 0.53187)
AlBa-19Ben.tdb	1003.15	AL5BA3 (x(Ba) 0.375) + AL5BA4 (x(Ba) 0.44444) + LIQUID (x(Ba) 0.53213)
AlBa-19Ben.tdb	1000	AL4BA_D13 (x(Ba) 0.2) + BCC_A2 (x(Ba) 1) + LIQUID (x(Ba) 1)
AlBa-19Ben.tdb	927.2	FCC_A1 (x(Ba) 0) + LIQUID (x(Ba) 0.0086) + AL4BA_D13 (x(Ba) 0.2)
AlBa-19Ben.tdb	927.2	FCC_A1 (x(Ba) 0) + LIQUID (x(Ba) 0.00857) + AL4BA_D13 (x(Ba) 0.2)
AlBa-19Ben.tdb	812.56	AL5BA4 (x(Ba) 0.44444) + LIQUID (x(Ba) 0.72088) + BCC_A2 (x(Ba) 0.99888)
AlBa-19Ben.tdb	812.56	AL5BA4 (x(Ba) 0.44444) + LIQUID (x(Ba) 0.72102) + BCC_A2 (x(Ba) 0.99888)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull AlBa-16Bao · CALPHAD hull AlBa-17Azz

Invariant reactions (literature)

Invariant reactions reported in the literature for the Al–Ba system (56)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location	Quote
1197	peritectic: Liq + Al4Ba -> Al13Ba7	L: Ba 0.3544; Al4Ba: Ba 0.2; Al13Ba7: Ba 0.35	model	[1] Benhafid 2019	Table 5, p. 6, row 13 report
1187	peritectic: Liq + Al4Ba -> Al13Ba7	L: Ba 0.37; Al4Ba: Ba 0.2; Al13Ba7: Ba 0.35	unspecified	[1] Benhafid 2019 cites Bruzzone 1975 doi	Table 5, p. 6, row 11 report
1187	Liquid + Al4Ba <-> Al13Ba7	Liquid: Ba 0.347; Al4Ba: Ba 0.2; Al13Ba7: Ba 0.345	experimental	[2] Bao 2016 cites Bruzzone 1975 doi	Table 2, p. 3, row 8 report
1187	peritectic		model	[1] Benhafid 2019 cites Itkin 1993 doi	p. 2 report	The most recent information on this binary phase diagram was taken from the phase diagram evaluated by Itkin and Alcock[14] which included four intermetallic compounds: Al4Ba melting congruently at 1377 K and Al13Ba7, Al5Ba3 and Al5Ba4 formed by peritectic reactions at 1187, 1023 and 1003 K, respectively.
1187	Liquid + Al4Ba <-> Al13Ba7	Liquid: Ba 0.37; Al4Ba: Ba 0.2; Al13Ba7: Ba 0.35	experimental	[2] Bao 2016 cites Srikanth 1991 doi	Table 2, p. 3, row 9 report
1187	peritectic		model	[3] Azza 2017 cites Predel 2006	p. 2 report	For the Al4 Ba compound a congruent melting was determined at 1377 K, while for Al13 B7 , Al5 B3 and Al5 B4 compounds undergo a peritectic formation respectively at 1187, 1023 and 1003 K.
1187	peritectic: Liq + Al4Ba -> Al13Ba7	L: Ba 0.36; Al4Ba: Ba 0.2; Al13Ba7: Ba 0.35	experimental	[3] Azza 2017 cites Itkin 1993 doi	Table 3, p. 5, row 7 report
1186	peritectic: Liq + Al4Ba -> Al13Ba7	L: Ba 0.383; Al4Ba: Ba 0.2; Al13Ba7: Ba 0.35	model	[1] Benhafid 2019 cites Bao 2016 doi	Table 5, p. 6, row 12 report
1186	Liquid + Al4Ba <-> Al13Ba7	Liquid: Ba 0.383; Al4Ba: Ba 0.2; Al13Ba7: Ba 0.35	model	[2] Bao 2016	Table 2, p. 3, row 7 report
1185	peritectic: Liq + Al4Ba -> Al13Ba7	L: Ba 0.356; Al4Ba: Ba 0.2; Al13Ba7: Ba 0.35	model	[3] Azza 2017	Table 3, p. 5, row 8 report
1024	peritectic: Liq + Al13Ba7 -> Al5Ba3	L: Ba 0.5173; Al13Ba7: Ba 0.35; Al5Ba3: Ba 0.375	model	[1] Benhafid 2019	Table 5, p. 6, row 16 report
1023	peritectic		model	[1] Benhafid 2019	p. 9 report	This optimization confirms the existence of the Al5Ba3 compound proposed for the first time by Fornasini[13] formed by a peritectic reaction at 1023 K.
1023	peritectic		model	[1] Benhafid 2019 cites Itkin 1993 doi	p. 2 report	The most recent information on this binary phase diagram was taken from the phase diagram evaluated by Itkin and Alcock[14] which included four intermetallic compounds: Al4Ba melting congruently at 1377 K and Al13Ba7, Al5Ba3 and Al5Ba4 formed by peritectic reactions at 1187, 1023 and 1003 K, respectively.
1023	peritectic		experimental	[1] Benhafid 2019 cites Fornasini 1988 doi	p. 2 report	Later, Fornasini[13] found a new compound in the system, Al5Ba3, which probably formed by a peritectic reaction at 1023 K as suggested by Flanigen.[6]
1023	peritectic: Liq + Al13Ba7 -> Al5Ba3	L: Ba 0.51; Al13Ba7: Ba 0.35; Al5Ba3: Ba 0.375	experimental	[1] Benhafid 2019 cites Itkin 1993 doi	Table 5, p. 6, row 15 report
1023	peritectic		model	[3] Azza 2017 cites Predel 2006	p. 2 report	For the Al4 Ba compound a congruent melting was determined at 1377 K, while for Al13 B7 , Al5 B3 and Al5 B4 compounds undergo a peritectic formation respectively at 1187, 1023 and 1003 K.
1023	peritectic: Liq + Al13Ba7 -> Al5Ba3	L: Ba 0.51; Al13Ba7: Ba 0.35; Al5Ba3: Ba 0.375	experimental	[3] Azza 2017 cites Itkin 1993 doi	Table 3, p. 5, row 9 report
1022	peritectic: Liq + Al13Ba7 -> Al5Ba3	L: Ba 0.514; Al13Ba7: Ba 0.35; Al5Ba3: Ba 0.375	model	[3] Azza 2017	Table 3, p. 5, row 10 report
1018	peritectic: Liq + Al13Ba7 -> Al5Ba3	Al13Ba7: Ba 0.35; Al5Ba3: Ba 0.375	experimental	[1] Benhafid 2019 cites Flanigen 1952	Table 5, p. 6, row 14 report
1004.41	peritectic: Liq + Al5Ba3 -> Al5Ba4	L: Ba 0.53; Al5Ba3: Ba 0.375; Al5Ba4: Ba 0.445	model	[1] Benhafid 2019	Table 5, p. 6, row 22 report
1003	peritectic: Liq + Al5Ba3 -> Al5Ba4	L: Ba 0.523; Al5Ba3: Ba 0.375; Al5Ba4: Ba 0.445	experimental	[1] Benhafid 2019 cites Srikanth 1991 doi	Table 5, p. 6, row 20 report
1003	peritectic: Liq + Al5Ba3 -> Al5Ba4	Al5Ba3: Ba 0.375; Al5Ba4: Ba 0.445	experimental	[1] Benhafid 2019 cites Bruzzone 1975 doi	Table 5, p. 6, row 18 report
1003	peritectic		model	[1] Benhafid 2019 cites Itkin 1993 doi	p. 2 report	The most recent information on this binary phase diagram was taken from the phase diagram evaluated by Itkin and Alcock[14] which included four intermetallic compounds: Al4Ba melting congruently at 1377 K and Al13Ba7, Al5Ba3 and Al5Ba4 formed by peritectic reactions at 1187, 1023 and 1003 K, respectively.
1003	Liquid + Al13Ba7 <-> Al5Ba4	Liquid: Ba 0.523; Al13Ba7: Ba 0.345; Al5Ba4: Ba 0.444	experimental	[2] Bao 2016 cites Bruzzone 1975 doi	Table 2, p. 3, row 11 report
1003	peritectic		experimental	[3] Azza 2017 cites Predel 2006	p. 2 report	For the Al4 Ba compound a congruent melting was determined at 1377 K, while for Al13 B7 , Al5 B3 and Al5 B4 compounds undergo a peritectic formation respectively at 1187, 1023 and 1003 K.
1003	peritectic: Liq + Al5Ba3 -> Al5Ba4	L: Ba 0.523; Al5Ba3: Ba 0.375; Al5Ba4: Ba 0.445	experimental	[1] Benhafid 2019 cites Itkin 1993 doi	Table 5, p. 6, row 19 report
1003	Liquid + Al13Ba7 <-> Al5Ba4	Liquid: Ba 0.523; Al13Ba7: Ba 0.35; Al5Ba4: Ba 0.444	experimental	[2] Bao 2016 cites Srikanth 1991 doi	Table 2, p. 3, row 12 report
1000	peritectic: Liq + Al5Ba3 -> Al5Ba4	L: Ba 0.528; Al5Ba3: Ba 0.375; Al5Ba4: Ba 0.444444	model	[3] Azza 2017	Table 3, p. 5, row 12 report
998	peritectic: Liq + Al5Ba3 -> Al5Ba4	L: Ba 0.525; Al5Ba3: Ba 0.375; Al5Ba4: Ba 0.444444	experimental	[3] Azza 2017 cites Itkin 1993 doi	Table 3, p. 5, row 11 report
995	Liquid + Al13Ba7 <-> Al5Ba4	Liquid: Ba 0.572; Al13Ba7: Ba 0.35; Al5Ba4: Ba 0.444	model	[2] Bao 2016	Table 2, p. 3, row 10 report
995	peritectic: Liq + Al5Ba3 -> Al5Ba4	L: Ba 0.572; Al5Ba3: Ba 0.375; Al5Ba4: Ba 0.445	model	[1] Benhafid 2019 cites Bao 2016 doi	Table 5, p. 6, row 21 report
991	peritectic: Liq + Al5Ba3 -> Al5Ba4	Al5Ba3: Ba 0.375; Al5Ba4: Ba 0.445	experimental	[1] Benhafid 2019 cites Flanigen 1952	Table 5, p. 6, row 17 report
933	eutectic: Liq -> Al + Al4Ba	Al: Ba 0; Al4Ba: Ba 0.2	experimental	[1] Benhafid 2019 cites Srikanth 1991 doi	Table 5, p. 6, row 5 report
933	eutectic: Liq -> Al + Al4Ba	Al: Ba 0; Al4Ba: Ba 0.2	experimental	[1] Benhafid 2019 cites Bruzzone 1975 doi	Table 5, p. 6, row 3 report
933	Liquid <-> (Al)+Al4Ba	Liquid: Ba 0.002; (Al): Ba 0; Al4Ba: Ba 0.2	experimental	[2] Bao 2016 cites Srikanth 1991 doi	Table 2, p. 3, row 3 report
933	Liquid <-> (Al)+Al4Ba	Liquid: Ba 0.002; (Al): Ba 0; Al4Ba: Ba 0.2	experimental	[2] Bao 2016 cites Bruzzone 1975 doi	Table 2, p. 3, row 2 report
932	eutectic: Liq -> Al + Al4Ba	L: Ba 0.002; Al: Ba 0; Al4Ba: Ba 0.2	unspecified	[1] Benhafid 2019 cites Itkin 1993 doi	Table 5, p. 6, row 4 report
932	eutectic: Liq -> Al + Al4Ba	Al: Ba 0.002; Al4Ba: Ba 0.2	experimental	[3] Azza 2017 cites Itkin 1993 doi	Table 3, p. 5, row 3 report
932	Liquid <-> (Al)+Al4Ba	Liquid: Ba 0.002; (Al): Ba 0; Al4Ba: Ba 0.2	model	[2] Bao 2016	Table 2, p. 3, row 1 report
931	eutectic: Liq -> Al + Al4Ba	Al: Ba 0.002; Al4Ba: Ba 0.2	model	[3] Azza 2017	Table 3, p. 5, row 4 report
927.17	eutectic: Liq -> Al + Al4Ba	L: Ba 0.00857; Al: Ba 0; Al4Ba: Ba 0.2	model	[1] Benhafid 2019	Table 5, p. 6, row 6 report
924	eutectic: Liq -> Al + Al4Ba	L: Ba 0.004; Al: Ba 0; Al4Ba: Ba 0.2	experimental	[1] Benhafid 2019 cites Alberti 1934 doi	Table 5, p. 6, row 1 report
924	eutectic: Liq -> Al + Al4Ba	L: Ba 0.0045; Al: Ba 0; Al4Ba: Ba 0.2	experimental	[1] Benhafid 2019 cites Lida 1953	Table 5, p. 6, row 2 report
924	eutectic		experimental	[1] Benhafid 2019	p. 2 report	The eutectic reaction between liquid, Fcc_A1 Al and Al4Ba was detected at 0.4 at.% Ba and 924 K.
813	eutectic: Liq -> Ba + Al5Ba4	L: Ba 0.72; Ba: Ba 1; Al5Ba4: Ba 0.445	model	[1] Benhafid 2019	Table 5, p. 6, row 29 report
812	eutectic: Liq -> Ba + Al5Ba4	L: Ba 0.706; Al5Ba4: Ba 0.444444	model	[3] Azza 2017	Table 3, p. 5, row 14 report
811	eutectic: Liq -> Ba + Al5Ba4	L: Ba 0.715; Ba: Ba 1; Al5Ba4: Ba 0.445	experimental	[1] Benhafid 2019 cites Itkin 1993 doi	Table 5, p. 6, row 26 report
811	eutectic: Liq -> Ba + Al5Ba4	L: Ba 0.715; Ba: Ba 1; Al5Ba4: Ba 0.445	experimental	[1] Benhafid 2019 cites Bruzzone 1975 doi	Table 5, p. 6, row 25 report
808	eutectic: Liq -> Ba + Al5Ba4	L: Ba 0.71; Al5Ba4: Ba 0.444444	experimental	[3] Azza 2017 cites Itkin 1993 doi	Table 3, p. 5, row 13 report
804	eutectic: Liq -> Ba + Al5Ba4	L: Ba 0.726; Ba: Ba 1; Al5Ba4: Ba 0.445	experimental	[1] Benhafid 2019 cites Flanigen 1952	Table 5, p. 6, row 23 report
801	eutectic: Liq -> Ba + Al5Ba4	L: Ba 0.7; Ba: Ba 1; Al5Ba4: Ba 0.445	experimental	[1] Benhafid 2019 cites Lida 1953	Table 5, p. 6, row 24 report
801	Liquid + Al5Ba4 <-> (Ba)	Liquid: Ba 0.715; Al5Ba4: Ba 0.444; (Ba): Ba 1	experimental	[2] Bao 2016 cites Bruzzone 1975 doi	Table 2, p. 3, row 14 report
801	eutectic: Liq -> Ba + Al5Ba4	L: Ba 0.72; Ba: Ba 1; Al5Ba4: Ba 0.445	experimental	[1] Benhafid 2019 cites Srikanth 1991 doi	Table 5, p. 6, row 27 report
801	Liquid + Al5Ba4 <-> (Ba)	Liquid: Ba 0.715; Al5Ba4: Ba 0.444; (Ba): Ba 0.946	experimental	[2] Bao 2016 cites Srikanth 1991 doi	Table 2, p. 3, row 15 report
799	Liquid + Al5Ba4 <-> (Ba)	Liquid: Ba 0.755; Al5Ba4: Ba 0.444; (Ba): Ba 1	model	[2] Bao 2016	Table 2, p. 3, row 13 report
799	eutectic: Liq -> Ba + Al5Ba4	L: Ba 0.755; Ba: Ba 1; Al5Ba4: Ba 0.445	model	[1] Benhafid 2019 cites Bao 2016 doi	Table 5, p. 6, row 28 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, Al–Ba system (27)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Al13Ba7	Al13Ba7	-53.874 kJ/mol-atom		model	-20.981 (mp-aaaaacxc)	-20.651 (oqmd-10392)	[1] Benhafid 2019 cites Bao 2016 doi	Table 3, p. 4, row 12 report
Al13Ba7	Al13Ba7	-51.72 kJ/mol-atom		model	-20.981 (mp-aaaaacxc)	-20.651 (oqmd-10392)	[3] Azza 2017	Table 4, p. 6, row 6 report
Al13Ba7	Al13Ba7	-45.93 kJ/mol-atom	298.15	experimental	-20.981 (mp-aaaaacxc)	-20.651 (oqmd-10392)	[3] Azza 2017 cites Srikanth 1991 doi	Table 4, p. 6, row 5 report
Al13Ba7	Al13Ba7	-45.93 kJ/mol-atom	298.15	experimental	-20.981 (mp-aaaaacxc)	-20.651 (oqmd-10392)	[1] Benhafid 2019 cites Srikanth 1991 doi	Table 3, p. 4, row 11 report
Al13Ba7	Al13Ba7	-23.896 kJ/mol-atom		model	-20.981 (mp-aaaaacxc)	-20.651 (oqmd-10392)	[1] Benhafid 2019	Table 3, p. 4, row 10 report
Al13Ba7		-21.795 kJ/mol-atom	0	DFT			[1] Benhafid 2019	Table 3, p. 4, row 9 report
Al4Ba	Al4Ba	-50.63 kJ/mol-atom	298.15	experimental	-23.27 (mp-aaaaacvf)	-22.888 (oqmd-10391)	[3] Azza 2017 cites Nepochatov 1979	Table 4, p. 6, row 4 report
Al4Ba	Al4Ba	-50.63 kJ/mol-atom	298.15	experimental	-23.27 (mp-aaaaacvf)	-22.888 (oqmd-10391)	[1] Benhafid 2019 cites Nepochatov 1979	Table 3, p. 4, row 4 report
Al4Ba	Al4Ba	-47.98 kJ/mol-atom		model	-23.27 (mp-aaaaacvf)	-22.888 (oqmd-10391)	[3] Azza 2017	Table 4, p. 6, row 2 report
Al4Ba	Al4Ba	-46.649 kJ/mol-atom		model	-23.27 (mp-aaaaacvf)	-22.888 (oqmd-10391)	[1] Benhafid 2019 cites Bao 2016 doi	Table 3, p. 4, row 8 report
Al4Ba	Al4Ba	-37.1 kJ/mol-atom	298.15	experimental	-23.27 (mp-aaaaacvf)	-22.888 (oqmd-10391)	[1] Benhafid 2019 cites Srikanth 1991 doi	Table 3, p. 4, row 7 report
Al4Ba	Al4Ba	-37.1 kJ/mol-atom	298.15	experimental	-23.27 (mp-aaaaacvf)	-22.888 (oqmd-10391)	[1] Benhafid 2019 cites Notin 2019	Table 3, p. 4, row 6 report
Al4Ba	Al4Ba	-37.1 kJ/mol-atom	298.15	experimental	-23.27 (mp-aaaaacvf)	-22.888 (oqmd-10391)	[3] Azza 2017 cites Srikanth 1991 doi	Table 4, p. 6, row 1 report
Al4Ba	Al4Ba	-37.1 kJ/mol-atom	298.15	experimental	-23.27 (mp-aaaaacvf)	-22.888 (oqmd-10391)	[3] Azza 2017 cites Notin 1982 doi	Table 4, p. 6, row 3 report
Al4Ba	Al4Ba	-24.8 kJ/mol-atom	298.15	experimental	-23.27 (mp-aaaaacvf)	-22.888 (oqmd-10391)	[1] Benhafid 2019 cites Vigdorovich 1972	Table 3, p. 4, row 3 report
Al4Ba		-23.576 kJ/mol-atom	0	DFT			[1] Benhafid 2019	Table 3, p. 4, row 1 report
Al4Ba	Al4Ba	-23.474 kJ/mol-atom		model	-23.27 (mp-aaaaacvf)	-22.888 (oqmd-10391)	[1] Benhafid 2019	Table 3, p. 4, row 2 report
Al4Ba	Al4Ba	-22.7 kJ/mol-atom	298.15	experimental	-23.27 (mp-aaaaacvf)	-22.888 (oqmd-10391)	[1] Benhafid 2019 cites Kulichkina 1967	Table 3, p. 4, row 5 report
Al5Ba3	Al5Ba3	-52.72 kJ/mol-atom		model	-22.211 (mp-aaaaaakb)	-22.16 (oqmd-26824)	[3] Azza 2017	Table 4, p. 6, row 7 report
Al5Ba3	Al5Ba3	-23.954 kJ/mol-atom		model	-22.211 (mp-aaaaaakb)	-22.16 (oqmd-26824)	[1] Benhafid 2019	Table 3, p. 4, row 14 report
Al5Ba3		-23.356 kJ/mol-atom	0	DFT			[1] Benhafid 2019	Table 3, p. 4, row 13 report
Al5Ba4	Al5Ba4	-50.94 kJ/mol-atom		model	-21.401 (mp-aaaaadxf)	-21.61 (oqmd-2029)	[3] Azza 2017	Table 4, p. 6, row 9 report
Al5Ba4	Al5Ba4	-48.16 kJ/mol-atom		model	-21.401 (mp-aaaaadxf)	-21.61 (oqmd-2029)	[1] Benhafid 2019 cites Bao 2016 doi	Table 3, p. 4, row 18 report
Al5Ba4	Al5Ba4	-44.47 kJ/mol-atom	298.15	experimental	-21.401 (mp-aaaaadxf)	-21.61 (oqmd-2029)	[1] Benhafid 2019 cites Srikanth 1991 doi	Table 3, p. 4, row 17 report
Al5Ba4	Al5Ba4	-44.47 kJ/mol-atom	298.15	experimental	-21.401 (mp-aaaaadxf)	-21.61 (oqmd-2029)	[3] Azza 2017 cites Srikanth 1991 doi	Table 4, p. 6, row 8 report
Al5Ba4	Al5Ba4	-22.928 kJ/mol-atom		model	-21.401 (mp-aaaaadxf)	-21.61 (oqmd-2029)	[1] Benhafid 2019	Table 3, p. 4, row 16 report
Al5Ba4		-22.927 kJ/mol-atom	0	DFT			[1] Benhafid 2019	Table 3, p. 4, row 15 report

Other properties

Phase transition (16)

Phase transition, Al–Ba system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	933 K	933	congruent melting: Liq -> Al Al: Ba 0	experimental	[3] Azza 2017 cites Itkin 1993 doi	Table 3, p. 5, row 1 report
Phase transition	933 K	933	congruent melting: Liq -> Al Al: Ba 0	model	[3] Azza 2017	Table 3, p. 5, row 2 report
Phase transition	1000 K	1000	congruent melting: Liq -> Ba Ba: Ba 1	experimental	[3] Azza 2017 cites Itkin 1993 doi	Table 3, p. 5, row 15 report
Phase transition	1000 K	1000	congruent melting: Liq -> Ba Ba: Ba 1	model	[3] Azza 2017	Table 3, p. 5, row 16 report
Phase transition	1370 K	1370	congruent melting: Liq -> Al4Ba L: Ba 0.2; Al4Ba: Ba 0.2	experimental	[1] Benhafid 2019 cites Lida 1953	Table 5, p. 6, row 7 report
Phase transition	1370 K	1370	congruent transformation	experimental	[1] Benhafid 2019 cites Lida 1953	p. 2 report	With thermal analysis and metallographic techniques, Iida[7] confirmed the existence of the Al4Ba compound, which melts congruently at 1370 K.
Phase transition	1377 K	1377	Liquid <-> Al4Ba Al4Ba: Ba 0.2	experimental	[2] Bao 2016 cites Bruzzone 1975 doi	Table 2, p. 3, row 5 report
Phase transition	1377 K	1377	Liquid <-> Al4Ba Al4Ba: Ba 0.2	experimental	[2] Bao 2016 cites Srikanth 1991 doi	Table 2, p. 3, row 6 report
Phase transition	1377 K	1377	congruent melting: Liq -> Al4Ba Al4Ba: Ba 0.2	model	[3] Azza 2017	Table 3, p. 5, row 6 report
Phase transition	1377 K	1377	congruent melting: Liq -> Al4Ba L: Ba 0.2; Al4Ba: Ba 0.2	unspecified	[1] Benhafid 2019 cites Bruzzone 1975 doi	Table 5, p. 6, row 8 report
Phase transition	1377 K	1377	congruent melting: Liq -> Al4Ba Al4Ba: Ba 0.2	experimental	[3] Azza 2017 cites Itkin 1993 doi	Table 3, p. 5, row 5 report
Phase transition	1377 K	1377	congruent melting: Liq -> Al4Ba L: Ba 0.2; Al4Ba: Ba 0.2	model	[1] Benhafid 2019	Table 5, p. 6, row 10 report
Phase transition	1377 K	1377	congruent transformation	model	[1] Benhafid 2019 cites Itkin 1993 doi	p. 2 report	The most recent information on this binary phase diagram was taken from the phase diagram evaluated by Itkin and Alcock[14] which included four intermetallic compounds: Al4Ba melting congruently at 1377 K and Al13Ba7, Al5Ba3 and Al5Ba4 formed by peritectic reactions at 1187, 1023 and 1003 K, respectively.
Phase transition	1377 K	1377	congruent transformation	model	[3] Azza 2017 cites Predel 2006	p. 2 report	For the Al4 Ba compound a congruent melting was determined at 1377 K, while for Al13 B7 , Al5 B3 and Al5 B4 compounds undergo a peritectic formation respectively at 1187, 1023 and 1003 K.
Phase transition	1379 K	1379	Liquid <-> Al4Ba Al4Ba: Ba 0.2	model	[2] Bao 2016	Table 2, p. 3, row 4 report
Phase transition	1379 K	1379	congruent melting: Liq -> Al4Ba L: Ba 0.2; Al4Ba: Ba 0.2	model	[1] Benhafid 2019 cites Bao 2016 doi	Table 5, p. 6, row 9 report

Formation (7)

Formation, Al–Ba system
Property	Value	Phases / composition	Class	Source	Location
Entropy of formation printed: ΔfS	-22.49 J/mol-atom/K	Al13Ba7 alloy: Ba 0.35	model	[1] Benhafid 2019 cites Bao 2016 doi	Table 3, p. 4, row 12 report
Entropy of formation printed: ΔfS	-0.291 J/mol-atom/K	Al13Ba7 alloy: Ba 0.35	model	[1] Benhafid 2019	Table 3, p. 4, row 10 report
Entropy of formation printed: ΔfS	-2.251 J/mol-atom/K	Al4Ba alloy: Ba 0.2	model	[1] Benhafid 2019	Table 3, p. 4, row 2 report
Entropy of formation printed: ΔfS	-17.46 J/mol-atom/K	Al4Ba alloy: Ba 0.2	model	[1] Benhafid 2019 cites Bao 2016 doi	Table 3, p. 4, row 8 report
Entropy of formation printed: ΔfS	-0.746 J/mol-atom/K	Al5Ba3 alloy: Ba 0.375	model	[1] Benhafid 2019	Table 3, p. 4, row 14 report
Entropy of formation printed: ΔfS	-1.032 J/mol-atom/K	Al5Ba4 alloy: Ba 0.444444	model	[1] Benhafid 2019	Table 3, p. 4, row 16 report
Entropy of formation printed: ΔfS	-19.88 J/mol-atom/K	Al5Ba4 alloy: Ba 0.444444	model	[1] Benhafid 2019 cites Bao 2016 doi	Table 3, p. 4, row 18 report

Crystal structure (24)

Crystal structure, Al–Ba system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	6.014 Å	0	Al13Ba7 Al13Ba7: Al 0.65, Ba 0.35	DFT	[1] Benhafid 2019	Table 1, p. 2, row 6 report
Lattice a	4.54 Å	0	Al4Ba Al4Ba: Al 0.8, Ba 0.2	DFT	[1] Benhafid 2019	Table 1, p. 2, row 4 report
Lattice a	6.066 Å	0	Al5Ba3 Al5Ba3: Al 0.625, Ba 0.375	DFT	[1] Benhafid 2019	Table 1, p. 2, row 8 report
Lattice a	6.105 Å	0	Al5Ba4 Al5Ba4: Al 0.555, Ba 0.445	DFT	[1] Benhafid 2019	Table 1, p. 2, row 10 report
Lattice a	6.099 Å	298.15	Al13Ba7 Al13Ba7: Al 0.65, Ba 0.35	experimental	[1] Benhafid 2019 cites Fornasini 1975 doi	Table 1, p. 2, row 5 report
Lattice a	4.539 Å	298.15	Al4Ba Al4Ba: Al 0.8, Ba 0.2	experimental	[1] Benhafid 2019 cites Andress 1935	Table 1, p. 2, row 3 report
Lattice a	6.066 Å	298.15	Al5Ba3 Al5Ba3: Al 0.625, Ba 0.375	unspecified	[1] Benhafid 2019 cites Fornasini 1988 doi	Table 1, p. 2, row 7 report
Lattice a	6.092 Å	298.15	Al5Ba4 Al5Ba4: Al 0.555, Ba 0.445	experimental	[1] Benhafid 2019 cites Fornasini 1975 doi	Table 1, p. 2, row 9 report
Lattice b	6.014 Å	0	Al13Ba7 Al13Ba7: Al 0.65, Ba 0.35	DFT	[1] Benhafid 2019	Table 1, p. 2, row 6 report
Lattice b	4.54 Å	0	Al4Ba Al4Ba: Al 0.8, Ba 0.2	DFT	[1] Benhafid 2019	Table 1, p. 2, row 4 report
Lattice b	6.066 Å	0	Al5Ba3 Al5Ba3: Al 0.625, Ba 0.375	DFT	[1] Benhafid 2019	Table 1, p. 2, row 8 report
Lattice b	6.105 Å	0	Al5Ba4 Al5Ba4: Al 0.555, Ba 0.445	DFT	[1] Benhafid 2019	Table 1, p. 2, row 10 report
Lattice b	6.099 Å	298.15	Al13Ba7 Al13Ba7: Al 0.65, Ba 0.35	experimental	[1] Benhafid 2019 cites Fornasini 1975 doi	Table 1, p. 2, row 5 report
Lattice b	4.539 Å	298.15	Al4Ba Al4Ba: Al 0.8, Ba 0.2	experimental	[1] Benhafid 2019 cites Andress 1935	Table 1, p. 2, row 3 report
Lattice b	6.066 Å	298.15	Al5Ba3 Al5Ba3: Al 0.625, Ba 0.375	unspecified	[1] Benhafid 2019 cites Fornasini 1988 doi	Table 1, p. 2, row 7 report
Lattice b	6.092 Å	298.15	Al5Ba4 Al5Ba4: Al 0.555, Ba 0.445	experimental	[1] Benhafid 2019 cites Fornasini 1975 doi	Table 1, p. 2, row 9 report
Lattice c	17.223 Å	0	Al13Ba7 Al13Ba7: Al 0.65, Ba 0.35	DFT	[1] Benhafid 2019	Table 1, p. 2, row 6 report
Lattice c	11.186 Å	0	Al4Ba Al4Ba: Al 0.8, Ba 0.2	DFT	[1] Benhafid 2019	Table 1, p. 2, row 4 report
Lattice c	14.611 Å	0	Al5Ba3 Al5Ba3: Al 0.625, Ba 0.375	DFT	[1] Benhafid 2019	Table 1, p. 2, row 8 report
Lattice c	17.807 Å	0	Al5Ba4 Al5Ba4: Al 0.555, Ba 0.445	DFT	[1] Benhafid 2019	Table 1, p. 2, row 10 report
Lattice c	17.269 Å	298.15	Al13Ba7 Al13Ba7: Al 0.65, Ba 0.35	experimental	[1] Benhafid 2019 cites Fornasini 1975 doi	Table 1, p. 2, row 5 report
Lattice c	11.16 Å	298.15	Al4Ba Al4Ba: Al 0.8, Ba 0.2	experimental	[1] Benhafid 2019 cites Andress 1935	Table 1, p. 2, row 3 report
Lattice c	14.611 Å	298.15	Al5Ba3 Al5Ba3: Al 0.625, Ba 0.375	unspecified	[1] Benhafid 2019 cites Fornasini 1988 doi	Table 1, p. 2, row 7 report
Lattice c	17.782 Å	298.15	Al5Ba4 Al5Ba4: Al 0.555, Ba 0.445	experimental	[1] Benhafid 2019 cites Fornasini 1975 doi	Table 1, p. 2, row 9 report

Sources

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

R. Benhafid, A. Belgacem Bouzida, Y. Djaballah, A. Candan, A. İyigör, G. Uğur, Thermodynamic Modeling of the Al-Ba and Ba-Ge Systems Supported by First-Principles Calculations, J. Phase Equilib. Diffus. 40, 195-205 (2019). doi:10.1007/s11669-019-00714-2
Xiaoheng Bao, Libin Liu, Yurong Jiang, Yun Jiang, Cun Mao, Xian Li et al., Thermodynamic Assessment of the Al-Ba System, J. Phase Equilib. Diffus. 37, 345-349 (2016). doi:10.1007/s11669-016-0466-y
H. Azza, N. Selhaoui, K. Achgar, Thermodynamic description of the aluminum-barium phase diagram, Eur. Phys. J. Spec. Top. 226, 1143-1150 (2017). doi:10.1140/epjst/e2016-60183-4

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}
}