# Al–Ba system

> Al–Ba system: 130 accepted literature values (invariant reaction 56, formation 34, crystal structure 24, phase transition 16) and 3 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

HTML: https://data.orchid-project.org/systems/AL-BA.html · Markdown: https://data.orchid-project.org/systems/AL-BA.md

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](https://data.orchid-project.org/literature/systems/AL-BA.json) · [CSV](https://data.orchid-project.org/systems/AL-BA.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#AL-BA) · [interactive phase diagram](https://orchid-project.org/phase-diagrams/#AL-BA/AlBa-16Bao.json) · [phases (8)](https://data.orchid-project.org/phases/pages/AL-BA.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/AL-BA.html) · [Markdown](https://data.orchid-project.org/systems/AL-BA.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 59 |
| model | 49 |
| DFT | 16 |
| unspecified | 6 |

Table: 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.

Table: 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](https://doi.org/10.1007/s11669-016-0466-y) | `8449c815abb5e15a9d6ae544201edea4eafb063ee29b5b0fa4fde1426963b0c3` | [viewer](https://orchid-project.org/phase-diagrams/#AL-BA/AlBa-16Bao.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/AlBa-16Bao.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/AlBa-16Bao.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](https://doi.org/10.1140/epjst/e2016-60183-4) | `b714036187c03e1c08a52c0254cf4a0ddbf28acbfa9866656f895819caea1a97` | [viewer](https://orchid-project.org/phase-diagrams/#AL-BA/AlBa-17Azz.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/AlBa-17Azz.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/AlBa-17Azz.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](https://doi.org/10.1007/s11669-019-00714-2) | `75aa4cde7e1bdd7e467d6effe3672ebbf6bca18c1a3eb9bbe524548ebca75056` | [viewer](https://orchid-project.org/phase-diagrams/#AL-BA/AlBa-19Ben.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/AlBa-19Ben.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/AlBa-19Ben.json) |

Table: 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](https://data.orchid-project.org/hulls/dft-mp/AL/AL-BA.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/AL/AL-BA.json) · [CALPHAD hull AlBa-16Bao](https://data.orchid-project.org/hulls/calphad-sgte/AL/AL-BA--AlBa-16Bao.json) · [CALPHAD hull AlBa-17Azz](https://data.orchid-project.org/hulls/calphad-sgte/AL/AL-BA--AlBa-17Azz.json)

## Invariant reactions (literature)

Table: 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; `ORC-BQE7CHYI5M` |  |
| 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](https://doi.org/10.1016/0022-5088%2875%2990212-x) | Table 5, p. 6, row 11; `ORC-6I3ZFB7EMJ` |  |
| 1187 | Liquid + Al4Ba \<-> Al13Ba7 | Liquid: Ba 0.347; Al4Ba: Ba 0.2; Al13Ba7: Ba 0.345 | experimental | [2] Bao 2016; _cites Bruzzone 1975_ [doi](https://doi.org/10.1016/0022-5088%2875%2990212-x) | Table 2, p. 3, row 8; `ORC-GR2RNY2YAC` |  |
| 1187 | peritectic |  | model | [1] Benhafid 2019; _cites Itkin 1993_ [doi](https://doi.org/10.1007/bf02671974) | p. 2; `ORC-OFJWWF62AP.480bbb` | “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](https://doi.org/10.1007/bf02679015) | Table 2, p. 3, row 9; `ORC-ULGQROBETV` |  |
| 1187 | peritectic |  | model | [3] Azza 2017; _cites Predel 2006_ | p. 2; `ORC-WDKMM7EHPZ.7aaecb` | “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](https://doi.org/10.1007/bf02671974) | Table 3, p. 5, row 7; `ORC-X57QD3HMPC` |  |
| 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](https://doi.org/10.1007/s11669-016-0466-y) | Table 5, p. 6, row 12; `ORC-6SWNDOJSP5` |  |
| 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; `ORC-JV3WZ4K42K` |  |
| 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; `ORC-ML2KXM7BX2` |  |
| 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; `ORC-H2MIOPRR4T` |  |
| 1023 | peritectic |  | model | [1] Benhafid 2019 | p. 9; `ORC-KSUW5KZNRA` | “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](https://doi.org/10.1007/bf02671974) | p. 2; `ORC-OFJWWF62AP.a0bb7a` | “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](https://doi.org/10.1107/s0108270188004020) | p. 2; `ORC-OFJWWF62AP.c6c3cf` | “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](https://doi.org/10.1007/bf02671974) | Table 5, p. 6, row 15; `ORC-TVZNGAGBWQ` |  |
| 1023 | peritectic |  | model | [3] Azza 2017; _cites Predel 2006_ | p. 2; `ORC-WDKMM7EHPZ.0ee0db` | “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](https://doi.org/10.1007/bf02671974) | Table 3, p. 5, row 9; `ORC-YCGAAUNMDL` |  |
| 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; `ORC-BIORYKB2L3` |  |
| 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; `ORC-C3VAOEXDFJ` |  |
| 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; `ORC-K6BPNY5J4K` |  |
| 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](https://doi.org/10.1007/bf02679015) | Table 5, p. 6, row 20; `ORC-LLJKQT7NLV` |  |
| 1003 | peritectic: Liq + Al5Ba3 -> Al5Ba4 | Al5Ba3: Ba 0.375; Al5Ba4: Ba 0.445 | experimental | [1] Benhafid 2019; _cites Bruzzone 1975_ [doi](https://doi.org/10.1016/0022-5088%2875%2990212-x) | Table 5, p. 6, row 18; `ORC-N7BXEXU6BO` |  |
| 1003 | peritectic |  | model | [1] Benhafid 2019; _cites Itkin 1993_ [doi](https://doi.org/10.1007/bf02671974) | p. 2; `ORC-OFJWWF62AP.2bc807` | “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](https://doi.org/10.1016/0022-5088%2875%2990212-x) | Table 2, p. 3, row 11; `ORC-VE7ROHS53O` |  |
| 1003 | peritectic |  | experimental | [3] Azza 2017; _cites Predel 2006_ | p. 2; `ORC-WDKMM7EHPZ.7987ac` | “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](https://doi.org/10.1007/bf02671974) | Table 5, p. 6, row 19; `ORC-XFB47H7AFF` |  |
| 1003 | Liquid + Al13Ba7 \<-> Al5Ba4 | Liquid: Ba 0.523; Al13Ba7: Ba 0.35; Al5Ba4: Ba 0.444 | experimental | [2] Bao 2016; _cites Srikanth 1991_ [doi](https://doi.org/10.1007/bf02679015) | Table 2, p. 3, row 12; `ORC-XO4VWFNQX3` |  |
| 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; `ORC-M4ZPLR2GJI` |  |
| 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](https://doi.org/10.1007/bf02671974) | Table 3, p. 5, row 11; `ORC-6HXLSZF4V3` |  |
| 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; `ORC-5IP2WSN4PJ` |  |
| 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](https://doi.org/10.1007/s11669-016-0466-y) | Table 5, p. 6, row 21; `ORC-VW722TUXIM` |  |
| 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; `ORC-IQNF5VIKWF` |  |
| 933 | eutectic: Liq -> Al + Al4Ba | Al: Ba 0; Al4Ba: Ba 0.2 | experimental | [1] Benhafid 2019; _cites Srikanth 1991_ [doi](https://doi.org/10.1007/bf02679015) | Table 5, p. 6, row 5; `ORC-4BM6TLJZMX` |  |
| 933 | eutectic: Liq -> Al + Al4Ba | Al: Ba 0; Al4Ba: Ba 0.2 | experimental | [1] Benhafid 2019; _cites Bruzzone 1975_ [doi](https://doi.org/10.1016/0022-5088%2875%2990212-x) | Table 5, p. 6, row 3; `ORC-INKQDWZXA2` |  |
| 933 | Liquid \<-> (Al)+Al4Ba | Liquid: Ba 0.002; (Al): Ba 0; Al4Ba: Ba 0.2 | experimental | [2] Bao 2016; _cites Srikanth 1991_ [doi](https://doi.org/10.1007/bf02679015) | Table 2, p. 3, row 3; `ORC-N35CG5UNKD` |  |
| 933 | Liquid \<-> (Al)+Al4Ba | Liquid: Ba 0.002; (Al): Ba 0; Al4Ba: Ba 0.2 | experimental | [2] Bao 2016; _cites Bruzzone 1975_ [doi](https://doi.org/10.1016/0022-5088%2875%2990212-x) | Table 2, p. 3, row 2; `ORC-O77OOPGXEG` |  |
| 932 | eutectic: Liq -> Al + Al4Ba | L: Ba 0.002; Al: Ba 0; Al4Ba: Ba 0.2 | unspecified | [1] Benhafid 2019; _cites Itkin 1993_ [doi](https://doi.org/10.1007/bf02671974) | Table 5, p. 6, row 4; `ORC-7G7HMG2K2A` |  |
| 932 | eutectic: Liq -> Al + Al4Ba | Al: Ba 0.002; Al4Ba: Ba 0.2 | experimental | [3] Azza 2017; _cites Itkin 1993_ [doi](https://doi.org/10.1007/bf02671974) | Table 3, p. 5, row 3; `ORC-BX7C52VBX5` |  |
| 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; `ORC-R2RS25YVOF` |  |
| 931 | eutectic: Liq -> Al + Al4Ba | Al: Ba 0.002; Al4Ba: Ba 0.2 | model | [3] Azza 2017 | Table 3, p. 5, row 4; `ORC-BANHMP7UAV` |  |
| 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; `ORC-RROV4Q6OUQ` |  |
| 924 | eutectic: Liq -> Al + Al4Ba | L: Ba 0.004; Al: Ba 0; Al4Ba: Ba 0.2 | experimental | [1] Benhafid 2019; _cites Alberti 1934_ [doi](https://doi.org/10.1515/ijmr-1934-261-1203) | Table 5, p. 6, row 1; `ORC-JUMGMEKJN2` |  |
| 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; `ORC-MXFIQIFIKK` |  |
| 924 | eutectic |  | experimental | [1] Benhafid 2019 | p. 2; `ORC-VJFCIYFUQX` | “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; `ORC-KTJVVQDUAH` |  |
| 812 | eutectic: Liq -> Ba + Al5Ba4 | L: Ba 0.706; Al5Ba4: Ba 0.444444 | model | [3] Azza 2017 | Table 3, p. 5, row 14; `ORC-LHKMWY4SQR` |  |
| 811 | eutectic: Liq -> Ba + Al5Ba4 | L: Ba 0.715; Ba: Ba 1; Al5Ba4: Ba 0.445 | experimental | [1] Benhafid 2019; _cites Itkin 1993_ [doi](https://doi.org/10.1007/bf02671974) | Table 5, p. 6, row 26; `ORC-AO7IXPOOCB` |  |
| 811 | eutectic: Liq -> Ba + Al5Ba4 | L: Ba 0.715; Ba: Ba 1; Al5Ba4: Ba 0.445 | experimental | [1] Benhafid 2019; _cites Bruzzone 1975_ [doi](https://doi.org/10.1016/0022-5088%2875%2990212-x) | Table 5, p. 6, row 25; `ORC-T6AAOBF2NM` |  |
| 808 | eutectic: Liq -> Ba + Al5Ba4 | L: Ba 0.71; Al5Ba4: Ba 0.444444 | experimental | [3] Azza 2017; _cites Itkin 1993_ [doi](https://doi.org/10.1007/bf02671974) | Table 3, p. 5, row 13; `ORC-HYH5JHIYOU` |  |
| 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; `ORC-35Z2KG2RQQ` |  |
| 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; `ORC-2ACFU4AJLZ` |  |
| 801 | Liquid + Al5Ba4 \<-> (Ba) | Liquid: Ba 0.715; Al5Ba4: Ba 0.444; (Ba): Ba 1 | experimental | [2] Bao 2016; _cites Bruzzone 1975_ [doi](https://doi.org/10.1016/0022-5088%2875%2990212-x) | Table 2, p. 3, row 14; `ORC-GSNWFNVKDD` |  |
| 801 | eutectic: Liq -> Ba + Al5Ba4 | L: Ba 0.72; Ba: Ba 1; Al5Ba4: Ba 0.445 | experimental | [1] Benhafid 2019; _cites Srikanth 1991_ [doi](https://doi.org/10.1007/bf02679015) | Table 5, p. 6, row 27; `ORC-WVMCNHEDDR` |  |
| 801 | Liquid + Al5Ba4 \<-> (Ba) | Liquid: Ba 0.715; Al5Ba4: Ba 0.444; (Ba): Ba 0.946 | experimental | [2] Bao 2016; _cites Srikanth 1991_ [doi](https://doi.org/10.1007/bf02679015) | Table 2, p. 3, row 15; `ORC-Z7XSN5CEEN` |  |
| 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; `ORC-IEVYAITFO4` |  |
| 799 | eutectic: Liq -> Ba + Al5Ba4 | L: Ba 0.755; Ba: Ba 1; Al5Ba4: Ba 0.445 | model | [1] Benhafid 2019; _cites Bao 2016_ [doi](https://doi.org/10.1007/s11669-016-0466-y) | Table 5, p. 6, row 28; `ORC-KDYM4Q6QKM` |  |

## 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](https://data.orchid-project.org/literature/dft_parity.json).

Table: 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 | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| Al13Ba7 | [Al13Ba7](https://data.orchid-project.org/compounds/Al13Ba7.html) | -53.874 kJ/mol-atom |  | model | -20.981 (mp-aaaaacxc) | -20.651 (oqmd-10392) | [1] Benhafid 2019; _cites Bao 2016_ [doi](https://doi.org/10.1007/s11669-016-0466-y) | Table 3, p. 4, row 12; `ORC-2LRNPD7QXF.72bb97` |  |
| Al13Ba7 | [Al13Ba7](https://data.orchid-project.org/compounds/Al13Ba7.html) | -51.72 kJ/mol-atom |  | model | -20.981 (mp-aaaaacxc) | -20.651 (oqmd-10392) | [3] Azza 2017 | Table 4, p. 6, row 6; `ORC-AXA6DW2X7A` |  |
| Al13Ba7 | [Al13Ba7](https://data.orchid-project.org/compounds/Al13Ba7.html) | -45.93 kJ/mol-atom | 298.15 | experimental | -20.981 (mp-aaaaacxc) | -20.651 (oqmd-10392) | [3] Azza 2017; _cites Srikanth 1991_ [doi](https://doi.org/10.1007/bf02679015) | Table 4, p. 6, row 5; `ORC-3DVOGK725V` |  |
| Al13Ba7 | [Al13Ba7](https://data.orchid-project.org/compounds/Al13Ba7.html) | -45.93 kJ/mol-atom | 298.15 | experimental | -20.981 (mp-aaaaacxc) | -20.651 (oqmd-10392) | [1] Benhafid 2019; _cites Srikanth 1991_ [doi](https://doi.org/10.1007/bf02679015) | Table 3, p. 4, row 11; `ORC-IZIWYKSQMB.604044` |  |
| Al13Ba7 | [Al13Ba7](https://data.orchid-project.org/compounds/Al13Ba7.html) | -23.896 kJ/mol-atom |  | model | -20.981 (mp-aaaaacxc) | -20.651 (oqmd-10392) | [1] Benhafid 2019 | Table 3, p. 4, row 10; `ORC-7TCWNVLREA.a60f0d` |  |
| Al13Ba7 |  | -21.795 kJ/mol-atom | 0 | DFT |  |  | [1] Benhafid 2019 | Table 3, p. 4, row 9; `ORC-QYY5MNFVPQ.b095f2` |  |
| Al4Ba | [Al4Ba](https://data.orchid-project.org/compounds/Al4Ba.html) | -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; `ORC-XUQQ5XTL6A` |  |
| Al4Ba | [Al4Ba](https://data.orchid-project.org/compounds/Al4Ba.html) | -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; `ORC-ZE3OFMSVCC.796172` |  |
| Al4Ba | [Al4Ba](https://data.orchid-project.org/compounds/Al4Ba.html) | -47.98 kJ/mol-atom |  | model | -23.27 (mp-aaaaacvf) | -22.888 (oqmd-10391) | [3] Azza 2017 | Table 4, p. 6, row 2; `ORC-2MUGVLESQJ` |  |
| Al4Ba | [Al4Ba](https://data.orchid-project.org/compounds/Al4Ba.html) | -46.649 kJ/mol-atom |  | model | -23.27 (mp-aaaaacvf) | -22.888 (oqmd-10391) | [1] Benhafid 2019; _cites Bao 2016_ [doi](https://doi.org/10.1007/s11669-016-0466-y) | Table 3, p. 4, row 8; `ORC-CFH754WSHF.0f7926` |  |
| Al4Ba | [Al4Ba](https://data.orchid-project.org/compounds/Al4Ba.html) | -37.1 kJ/mol-atom | 298.15 | experimental | -23.27 (mp-aaaaacvf) | -22.888 (oqmd-10391) | [1] Benhafid 2019; _cites Srikanth 1991_ [doi](https://doi.org/10.1007/bf02679015) | Table 3, p. 4, row 7; `ORC-5YFZYV3IRV.d6af2a` |  |
| Al4Ba | [Al4Ba](https://data.orchid-project.org/compounds/Al4Ba.html) | -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; `ORC-6CHYKUPMPS.faf95b` |  |
| Al4Ba | [Al4Ba](https://data.orchid-project.org/compounds/Al4Ba.html) | -37.1 kJ/mol-atom | 298.15 | experimental | -23.27 (mp-aaaaacvf) | -22.888 (oqmd-10391) | [3] Azza 2017; _cites Srikanth 1991_ [doi](https://doi.org/10.1007/bf02679015) | Table 4, p. 6, row 1; `ORC-NRF4P5DJDZ` |  |
| Al4Ba | [Al4Ba](https://data.orchid-project.org/compounds/Al4Ba.html) | -37.1 kJ/mol-atom | 298.15 | experimental | -23.27 (mp-aaaaacvf) | -22.888 (oqmd-10391) | [3] Azza 2017; _cites Notin 1982_ [doi](https://doi.org/10.1016/0040-6031%2882%2987023-8) | Table 4, p. 6, row 3; `ORC-ORYM5UETZ7` |  |
| Al4Ba | [Al4Ba](https://data.orchid-project.org/compounds/Al4Ba.html) | -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; `ORC-WIJE3L72LE.1e819d` |  |
| Al4Ba |  | -23.576 kJ/mol-atom | 0 | DFT |  |  | [1] Benhafid 2019 | Table 3, p. 4, row 1; `ORC-64D3KDWP6N.56cc5b` |  |
| Al4Ba | [Al4Ba](https://data.orchid-project.org/compounds/Al4Ba.html) | -23.474 kJ/mol-atom |  | model | -23.27 (mp-aaaaacvf) | -22.888 (oqmd-10391) | [1] Benhafid 2019 | Table 3, p. 4, row 2; `ORC-ANN5XK3DH3.77755b` |  |
| Al4Ba | [Al4Ba](https://data.orchid-project.org/compounds/Al4Ba.html) | -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; `ORC-AEEOONZYCH.1e34f9` |  |
| Al5Ba3 | [Al5Ba3](https://data.orchid-project.org/compounds/Al5Ba3.html) | -52.72 kJ/mol-atom |  | model | -22.211 (mp-aaaaaakb) | -22.16 (oqmd-26824) | [3] Azza 2017 | Table 4, p. 6, row 7; `ORC-A6OBW4NEWU` |  |
| Al5Ba3 | [Al5Ba3](https://data.orchid-project.org/compounds/Al5Ba3.html) | -23.954 kJ/mol-atom |  | model | -22.211 (mp-aaaaaakb) | -22.16 (oqmd-26824) | [1] Benhafid 2019 | Table 3, p. 4, row 14; `ORC-WBINUFGMKP.54cf03` |  |
| Al5Ba3 |  | -23.356 kJ/mol-atom | 0 | DFT |  |  | [1] Benhafid 2019 | Table 3, p. 4, row 13; `ORC-UVQZPXF73I.507686` |  |
| Al5Ba4 | [Al5Ba4](https://data.orchid-project.org/compounds/Al5Ba4.html) | -50.94 kJ/mol-atom |  | model | -21.401 (mp-aaaaadxf) | -21.61 (oqmd-2029) | [3] Azza 2017 | Table 4, p. 6, row 9; `ORC-MVFM2B6SOH` |  |
| Al5Ba4 | [Al5Ba4](https://data.orchid-project.org/compounds/Al5Ba4.html) | -48.16 kJ/mol-atom |  | model | -21.401 (mp-aaaaadxf) | -21.61 (oqmd-2029) | [1] Benhafid 2019; _cites Bao 2016_ [doi](https://doi.org/10.1007/s11669-016-0466-y) | Table 3, p. 4, row 18; `ORC-YZ2LFUSPFK.4050df` |  |
| Al5Ba4 | [Al5Ba4](https://data.orchid-project.org/compounds/Al5Ba4.html) | -44.47 kJ/mol-atom | 298.15 | experimental | -21.401 (mp-aaaaadxf) | -21.61 (oqmd-2029) | [1] Benhafid 2019; _cites Srikanth 1991_ [doi](https://doi.org/10.1007/bf02679015) | Table 3, p. 4, row 17; `ORC-PPLIIO72A6.3501eb` |  |
| Al5Ba4 | [Al5Ba4](https://data.orchid-project.org/compounds/Al5Ba4.html) | -44.47 kJ/mol-atom | 298.15 | experimental | -21.401 (mp-aaaaadxf) | -21.61 (oqmd-2029) | [3] Azza 2017; _cites Srikanth 1991_ [doi](https://doi.org/10.1007/bf02679015) | Table 4, p. 6, row 8; `ORC-SENELRNSHU` |  |
| Al5Ba4 | [Al5Ba4](https://data.orchid-project.org/compounds/Al5Ba4.html) | -22.928 kJ/mol-atom |  | model | -21.401 (mp-aaaaadxf) | -21.61 (oqmd-2029) | [1] Benhafid 2019 | Table 3, p. 4, row 16; `ORC-TOSYMAY4KI.1db7fb` |  |
| Al5Ba4 |  | -22.927 kJ/mol-atom | 0 | DFT |  |  | [1] Benhafid 2019 | Table 3, p. 4, row 15; `ORC-C6MHFW5CGI.1d0aa0` |  |

## Other properties

### Phase transition (16)

Table: 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](https://doi.org/10.1007/bf02671974) | Table 3, p. 5, row 1; `ORC-J3TUC2VMAE` |  |
| Phase transition | 933 K | 933 | congruent melting: Liq -> Al; _Al: Ba 0_ | model | [3] Azza 2017 | Table 3, p. 5, row 2; `ORC-ZPFFEGRZJU` |  |
| Phase transition | 1000 K | 1000 | congruent melting: Liq -> Ba; _Ba: Ba 1_ | experimental | [3] Azza 2017; _cites Itkin 1993_ [doi](https://doi.org/10.1007/bf02671974) | Table 3, p. 5, row 15; `ORC-IOAOQNSO4Z` |  |
| Phase transition | 1000 K | 1000 | congruent melting: Liq -> Ba; _Ba: Ba 1_ | model | [3] Azza 2017 | Table 3, p. 5, row 16; `ORC-P5QRE24BVG` |  |
| 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; `ORC-4LCPWSE6SQ` |  |
| Phase transition | 1370 K | 1370 | congruent transformation | experimental | [1] Benhafid 2019; _cites Lida 1953_ | p. 2; `ORC-7BIVUQ74KG` | “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](https://doi.org/10.1016/0022-5088%2875%2990212-x) | Table 2, p. 3, row 5; `ORC-BFDQAVA57J` |  |
| Phase transition | 1377 K | 1377 | Liquid \<-> Al4Ba; _Al4Ba: Ba 0.2_ | experimental | [2] Bao 2016; _cites Srikanth 1991_ [doi](https://doi.org/10.1007/bf02679015) | Table 2, p. 3, row 6; `ORC-OKRHRCCEOI` |  |
| Phase transition | 1377 K | 1377 | congruent melting: Liq -> Al4Ba; _Al4Ba: Ba 0.2_ | model | [3] Azza 2017 | Table 3, p. 5, row 6; `ORC-AVCAIZK4DF` |  |
| 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](https://doi.org/10.1016/0022-5088%2875%2990212-x) | Table 5, p. 6, row 8; `ORC-DYEBCGUYUX` |  |
| Phase transition | 1377 K | 1377 | congruent melting: Liq -> Al4Ba; _Al4Ba: Ba 0.2_ | experimental | [3] Azza 2017; _cites Itkin 1993_ [doi](https://doi.org/10.1007/bf02671974) | Table 3, p. 5, row 5; `ORC-ONMVVBOSKM` |  |
| 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; `ORC-Y774UTNIAD` |  |
| Phase transition | 1377 K | 1377 | congruent transformation | model | [1] Benhafid 2019; _cites Itkin 1993_ [doi](https://doi.org/10.1007/bf02671974) | p. 2; `ORC-OFJWWF62AP.a58abb` | “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; `ORC-WDKMM7EHPZ.a38bd4` | “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; `ORC-G5W2NZIPRR` |  |
| 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](https://doi.org/10.1007/s11669-016-0466-y) | Table 5, p. 6, row 9; `ORC-Y7P6AG5UB4` |  |

### Formation (7)

Table: Formation, Al–Ba system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Entropy of formation; _printed: ΔfS_ | -22.49 J/mol-atom/K |  | Al13Ba7; _alloy: Ba 0.35_ | model | [1] Benhafid 2019; _cites Bao 2016_ [doi](https://doi.org/10.1007/s11669-016-0466-y) | Table 3, p. 4, row 12; `ORC-2LRNPD7QXF.e6ccd3` |  |
| 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; `ORC-7TCWNVLREA.2f4408` |  |
| 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; `ORC-ANN5XK3DH3.6ecf3a` |  |
| Entropy of formation; _printed: ΔfS_ | -17.46 J/mol-atom/K |  | Al4Ba; _alloy: Ba 0.2_ | model | [1] Benhafid 2019; _cites Bao 2016_ [doi](https://doi.org/10.1007/s11669-016-0466-y) | Table 3, p. 4, row 8; `ORC-CFH754WSHF.a60527` |  |
| 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; `ORC-WBINUFGMKP.bba371` |  |
| 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; `ORC-TOSYMAY4KI.d1a2f2` |  |
| Entropy of formation; _printed: ΔfS_ | -19.88 J/mol-atom/K |  | Al5Ba4; _alloy: Ba 0.444444_ | model | [1] Benhafid 2019; _cites Bao 2016_ [doi](https://doi.org/10.1007/s11669-016-0466-y) | Table 3, p. 4, row 18; `ORC-YZ2LFUSPFK.d24386` |  |

### Crystal structure (24)

Table: Crystal structure, Al–Ba system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a | 6.014 Å | 0 | Al13Ba7; _Al13Ba7: Al 0.65, Ba 0.35_ | DFT | [1] Benhafid 2019 | Table 1, p. 2, row 6; `ORC-BLGL55THSG.628f15` |  |
| Lattice a | 4.54 Å | 0 | Al4Ba; _Al4Ba: Al 0.8, Ba 0.2_ | DFT | [1] Benhafid 2019 | Table 1, p. 2, row 4; `ORC-IYWAXFJIQT.07a669` |  |
| Lattice a | 6.066 Å | 0 | Al5Ba3; _Al5Ba3: Al 0.625, Ba 0.375_ | DFT | [1] Benhafid 2019 | Table 1, p. 2, row 8; `ORC-PL3XNKYMLO.80a242` |  |
| Lattice a | 6.105 Å | 0 | Al5Ba4; _Al5Ba4: Al 0.555, Ba 0.445_ | DFT | [1] Benhafid 2019 | Table 1, p. 2, row 10; `ORC-PMBO3NQ56P.8373f1` |  |
| Lattice a | 6.099 Å | 298.15 | Al13Ba7; _Al13Ba7: Al 0.65, Ba 0.35_ | experimental | [1] Benhafid 2019; _cites Fornasini 1975_ [doi](https://doi.org/10.1016/0022-5088%2875%2990078-8) | Table 1, p. 2, row 5; `ORC-QUYJ2QHYZB.b869e8` |  |
| 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; `ORC-UVGKQUNCPM.1d978a` |  |
| Lattice a | 6.066 Å | 298.15 | Al5Ba3; _Al5Ba3: Al 0.625, Ba 0.375_ | unspecified | [1] Benhafid 2019; _cites Fornasini 1988_ [doi](https://doi.org/10.1107/s0108270188004020) | Table 1, p. 2, row 7; `ORC-2MEGHW7P3O.cc9e1e` |  |
| Lattice a | 6.092 Å | 298.15 | Al5Ba4; _Al5Ba4: Al 0.555, Ba 0.445_ | experimental | [1] Benhafid 2019; _cites Fornasini 1975_ [doi](https://doi.org/10.1016/0022-5088%2875%2990078-8) | Table 1, p. 2, row 9; `ORC-4FBG4NJS64.3e4192` |  |
| Lattice b | 6.014 Å | 0 | Al13Ba7; _Al13Ba7: Al 0.65, Ba 0.35_ | DFT | [1] Benhafid 2019 | Table 1, p. 2, row 6; `ORC-BLGL55THSG.cfc3bf` |  |
| Lattice b | 4.54 Å | 0 | Al4Ba; _Al4Ba: Al 0.8, Ba 0.2_ | DFT | [1] Benhafid 2019 | Table 1, p. 2, row 4; `ORC-IYWAXFJIQT.57bf2d` |  |
| Lattice b | 6.066 Å | 0 | Al5Ba3; _Al5Ba3: Al 0.625, Ba 0.375_ | DFT | [1] Benhafid 2019 | Table 1, p. 2, row 8; `ORC-PL3XNKYMLO.005d10` |  |
| Lattice b | 6.105 Å | 0 | Al5Ba4; _Al5Ba4: Al 0.555, Ba 0.445_ | DFT | [1] Benhafid 2019 | Table 1, p. 2, row 10; `ORC-PMBO3NQ56P.54e5ce` |  |
| Lattice b | 6.099 Å | 298.15 | Al13Ba7; _Al13Ba7: Al 0.65, Ba 0.35_ | experimental | [1] Benhafid 2019; _cites Fornasini 1975_ [doi](https://doi.org/10.1016/0022-5088%2875%2990078-8) | Table 1, p. 2, row 5; `ORC-QUYJ2QHYZB.609450` |  |
| 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; `ORC-UVGKQUNCPM.0035b5` |  |
| Lattice b | 6.066 Å | 298.15 | Al5Ba3; _Al5Ba3: Al 0.625, Ba 0.375_ | unspecified | [1] Benhafid 2019; _cites Fornasini 1988_ [doi](https://doi.org/10.1107/s0108270188004020) | Table 1, p. 2, row 7; `ORC-2MEGHW7P3O.63c94e` |  |
| Lattice b | 6.092 Å | 298.15 | Al5Ba4; _Al5Ba4: Al 0.555, Ba 0.445_ | experimental | [1] Benhafid 2019; _cites Fornasini 1975_ [doi](https://doi.org/10.1016/0022-5088%2875%2990078-8) | Table 1, p. 2, row 9; `ORC-4FBG4NJS64.2ad9ac` |  |
| Lattice c | 17.223 Å | 0 | Al13Ba7; _Al13Ba7: Al 0.65, Ba 0.35_ | DFT | [1] Benhafid 2019 | Table 1, p. 2, row 6; `ORC-BLGL55THSG.04b328` |  |
| Lattice c | 11.186 Å | 0 | Al4Ba; _Al4Ba: Al 0.8, Ba 0.2_ | DFT | [1] Benhafid 2019 | Table 1, p. 2, row 4; `ORC-IYWAXFJIQT.5e9ba3` |  |
| Lattice c | 14.611 Å | 0 | Al5Ba3; _Al5Ba3: Al 0.625, Ba 0.375_ | DFT | [1] Benhafid 2019 | Table 1, p. 2, row 8; `ORC-PL3XNKYMLO.56d333` |  |
| Lattice c | 17.807 Å | 0 | Al5Ba4; _Al5Ba4: Al 0.555, Ba 0.445_ | DFT | [1] Benhafid 2019 | Table 1, p. 2, row 10; `ORC-PMBO3NQ56P.a78693` |  |
| Lattice c | 17.269 Å | 298.15 | Al13Ba7; _Al13Ba7: Al 0.65, Ba 0.35_ | experimental | [1] Benhafid 2019; _cites Fornasini 1975_ [doi](https://doi.org/10.1016/0022-5088%2875%2990078-8) | Table 1, p. 2, row 5; `ORC-QUYJ2QHYZB.b34952` |  |
| 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; `ORC-UVGKQUNCPM.ef9991` |  |
| Lattice c | 14.611 Å | 298.15 | Al5Ba3; _Al5Ba3: Al 0.625, Ba 0.375_ | unspecified | [1] Benhafid 2019; _cites Fornasini 1988_ [doi](https://doi.org/10.1107/s0108270188004020) | Table 1, p. 2, row 7; `ORC-2MEGHW7P3O.7fb5cb` |  |
| Lattice c | 17.782 Å | 298.15 | Al5Ba4; _Al5Ba4: Al 0.555, Ba 0.445_ | experimental | [1] Benhafid 2019; _cites Fornasini 1975_ [doi](https://doi.org/10.1016/0022-5088%2875%2990078-8) | Table 1, p. 2, row 9; `ORC-4FBG4NJS64.21e984` |  |

## Sources

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

1. 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](https://doi.org/10.1007/s11669-019-00714-2)
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](https://doi.org/10.1007/s11669-016-0466-y)
3. 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](https://doi.org/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). https://doi.org/10.5281/zenodo.23735569
- R. Arróyave, J. Saal, D. Shin, ORCHID-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). https://doi.org/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). https://doi.org/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). https://doi.org/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.

```bibtex
@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}
}
```

---

Derived data CC BY 4.0 ([licence](https://creativecommons.org/licenses/by/4.0/)): cite ORCHID ([CITATION.cff](https://data.orchid-project.org/CITATION.cff)) and the original sources. Quotes are short excerpts kept so that each value can be checked; they remain under the publishers' copyright and are not relicensed. Source papers, page images and full text are not redistributed. Field reference: [SCHEMA.md](https://data.orchid-project.org/literature/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt). Found an error? The report link of a value (Markdown: its id, ORC-..., in the Location column) opens a pre-filled GitHub issue, https://github.com/orchid-calphad/orchid-data/issues/new?template=report-value-error.yml&record_id=\<id>, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).