# Al–Pu system

> Al–Pu system: 38 accepted literature values (heat capacity / entropy / enthalpy 19, crystal structure 12, formation 7) 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-PU.html · Markdown: https://data.orchid-project.org/systems/AL-PU.md

38 accepted literature values from 1 paper(s) (DFT 38); 3 calculated phase diagram(s).

Data: [JSON](https://data.orchid-project.org/literature/systems/AL-PU.json) · [CSV](https://data.orchid-project.org/systems/AL-PU.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#AL-PU) · [interactive phase diagram](https://orchid-project.org/phase-diagrams/#AL-PU/AlPu-04Tur.json) · [phases (17)](https://data.orchid-project.org/phases/pages/AL-PU.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/AL-PU.html) · [Markdown](https://data.orchid-project.org/systems/AL-PU.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| DFT | 38 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| formation | 7 |
| heat capacity / entropy / enthalpy | 19 |
| crystal structure | 12 |

## 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 |
|---|---|---|---|
| AlPu-04Tur.tdb | P.E.A. Turchi, L. Kaufman, Z.-K. Liu, S. Zhou, LLNL Report, UCRL-TR-206658, 2004. | `e467c364f317d0027cb185c907193ccbe9a609a8fa614a67baf164f32d1c1d05` | [viewer](https://orchid-project.org/phase-diagrams/#AL-PU/AlPu-04Tur.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/AlPu-04Tur.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/AlPu-04Tur.json) |
| AlPu-10Sed.tdb | D. Sedmidubsky, R.J.M. Konings, P. Soucek, J. Nucl. Mater., 397, 1-7(2010). [doi:10.1016/j.jnucmat.2009.11.023](https://doi.org/10.1016/j.jnucmat.2009.11.023) | `52307f110aa139d07f8affe1b7ce58d7241280c8a81279c321f748a29ecd4817` | [viewer](https://orchid-project.org/phase-diagrams/#AL-PU/AlPu-10Sed.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/AlPu-10Sed.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/AlPu-10Sed.json) |
| AlPu-16Per.tdb | A. Perron, P.E.A. Turchi, A. Landa, B. Oudot, B. Ravat, F. Delaunay, J. Nucl. Mater., 482, 187-200(2016). [doi:10.1016/j.jnucmat.2016.09.012](https://doi.org/10.1016/j.jnucmat.2016.09.012) | `782e1c2991439aa8ae1482c02e98518d89279eb38c3a6322f1a10faca3d6ff6c` | [viewer](https://orchid-project.org/phase-diagrams/#AL-PU/AlPu-16Per.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/AlPu-16Per.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/AlPu-16Per.json) |

Table: Calculated three-phase invariants (model, mole fraction of the second component)

| TDB file | T (K) | Phases at the invariant |
|---|---:|---|
| AlPu-04Tur.tdb | 1567.03 | LIQUID (x(Pu) 0.18835) + AL3PU_L12 (x(Pu) 0.25) + AL2PU_C15 (x(Pu) 0.33333) |
| AlPu-04Tur.tdb | 1567.03 | LIQUID (x(Pu) 0.18857) + AL3PU_L12 (x(Pu) 0.25) + AL2PU_C15 (x(Pu) 0.33333) |
| AlPu-04Tur.tdb | 1450 | AL3PU_L12 (x(Pu) 0.25) + AL3PU_6H (x(Pu) 0.25) + AL2PU_C15 (x(Pu) 0.33333) |
| AlPu-04Tur.tdb | 1450 | LIQUID (x(Pu) 0.1481) + AL3PU_L12 (x(Pu) 0.25) + AL3PU_6H (x(Pu) 0.25) |
| AlPu-04Tur.tdb | 1450 | LIQUID (x(Pu) 0.14822) + AL3PU_6H (x(Pu) 0.25) + AL3PU_L12 (x(Pu) 0.25) |
| AlPu-04Tur.tdb | 1300 | AL3PU_9HB (x(Pu) 0.25) + AL3PU_6H (x(Pu) 0.25) + AL2PU_C15 (x(Pu) 0.33333) |
| AlPu-04Tur.tdb | 1300 | LIQUID (x(Pu) 0.11082) + AL3PU_9HB (x(Pu) 0.25) + AL3PU_6H (x(Pu) 0.25) |
| AlPu-04Tur.tdb | 1300 | LIQUID (x(Pu) 0.11073) + AL3PU_6H (x(Pu) 0.25) + AL3PU_9HB (x(Pu) 0.25) |
| AlPu-04Tur.tdb | 1201.87 | LIQUID (x(Pu) 0.08868) + AL4PU_D1B (x(Pu) 0.2) + AL3PU_9HB (x(Pu) 0.25) |
| AlPu-04Tur.tdb | 1201.87 | LIQUID (x(Pu) 0.08859) + AL4PU_D1B (x(Pu) 0.2) + AL3PU_9HB (x(Pu) 0.25) |
| AlPu-04Tur.tdb | 1201.87 | LIQUID (x(Pu) 0.08854) + AL4PU_D1B (x(Pu) 0.2) + AL3PU_9HB (x(Pu) 0.25) |
| AlPu-04Tur.tdb | 1200 | AL3PU_9HB (x(Pu) 0.25) + AL3PU_9HA (x(Pu) 0.25) + AL2PU_C15 (x(Pu) 0.33333) |
| AlPu-04Tur.tdb | 1200 | AL4PU_D1B (x(Pu) 0.2) + AL3PU_9HA (x(Pu) 0.25) + AL3PU_9HB (x(Pu) 0.25) |
| AlPu-04Tur.tdb | 1070.05 | AL2PU_C15 (x(Pu) 0.33333) + BCC_A2 (x(Pu) 0.84528) + LIQUID (x(Pu) 0.89691) |
| AlPu-04Tur.tdb | 1055.61 | AL2PU_C15 (x(Pu) 0.33333) + FCC_A1 (x(Pu) 0.84604) + BCC_A2 (x(Pu) 0.84731) |
| AlPu-04Tur.tdb | 923.42 | FCC_A1 (x(Pu) 5.500e-4) + LIQUID (x(Pu) 0.01144) + AL4PU_D1B (x(Pu) 0.2) |
| AlPu-04Tur.tdb | 923.42 | FCC_A1 (x(Pu) 5.400e-4) + LIQUID (x(Pu) 0.01132) + AL4PU_D1B (x(Pu) 0.2) |
| AlPu-04Tur.tdb | 894.02 | AL2PU_C15 (x(Pu) 0.33333) + ALPU_A12 (x(Pu) 0.5) + FCC_A1 (x(Pu) 0.85269) |
| AlPu-04Tur.tdb | 894.02 | AL2PU_C15 (x(Pu) 0.33333) + ALPU_A12 (x(Pu) 0.5) + FCC_A1 (x(Pu) 0.85269) |
| AlPu-04Tur.tdb | 894.02 | AL2PU_C15 (x(Pu) 0.33333) + ALPU_A12 (x(Pu) 0.5) + FCC_A1 (x(Pu) 0.85268) |
| AlPu-04Tur.tdb | 863.55 | ALPU_A12 (x(Pu) 0.5) + ALPU3 (x(Pu) 0.75) + FCC_A1 (x(Pu) 0.85405) |
| AlPu-04Tur.tdb | 863.55 | ALPU_A12 (x(Pu) 0.5) + ALPU3 (x(Pu) 0.75) + FCC_A1 (x(Pu) 0.85406) |
| AlPu-04Tur.tdb | 755.31 | FCC_A1 (x(Pu) 0.99971) + BCC_A2 (x(Pu) 0.99987) + TETRAGONAL_A6 (x(Pu) 1) |
| AlPu-04Tur.tdb | 487.9 | FCC_A1 (x(Pu) 0.97525) + BETA_PU (x(Pu) 1) + GAMMA_PU (x(Pu) 1) |
| AlPu-04Tur.tdb | 473.95 | AL2PU_C15 (x(Pu) 0.33333) + ALPU_A12 (x(Pu) 0.5) + ALPU3 (x(Pu) 0.75) |
| AlPu-04Tur.tdb | 397.62 | FCC_A1 (x(Pu) 0.94644) + ALPHA_PU (x(Pu) 1) + BETA_PU (x(Pu) 1) |
| AlPu-04Tur.tdb | 368.17 | ALPU3 (x(Pu) 0.75) + FCC_A1 (x(Pu) 0.91379) + ALPHA_PU (x(Pu) 1) |
| AlPu-04Tur.tdb | 368.17 | ALPU3 (x(Pu) 0.75) + FCC_A1 (x(Pu) 0.91385) + ALPHA_PU (x(Pu) 1) |
| AlPu-10Sed.tdb | 1628.42 | LIQUID (x(Pu) 0.21449) + AL3PU_L12 (x(Pu) 0.25) + AL2PU_C15 (x(Pu) 0.33333) |
| AlPu-10Sed.tdb | 1500.02 | AL3PU_6H (x(Pu) 0.25) + AL3PU_L12 (x(Pu) 0.25) + AL2PU_C15 (x(Pu) 0.33333) |
| AlPu-10Sed.tdb | 1500.02 | LIQUID (x(Pu) 0.15672) + AL3PU_6H (x(Pu) 0.25) + AL3PU_L12 (x(Pu) 0.25) |
| AlPu-10Sed.tdb | 1299.99 | AL3PU_6H (x(Pu) 0.25) + AL3PU_9H (x(Pu) 0.25) + AL2PU_C15 (x(Pu) 0.33333) |
| AlPu-10Sed.tdb | 1299.99 | LIQUID (x(Pu) 0.09393) + AL3PU_9H (x(Pu) 0.25) + AL3PU_6H (x(Pu) 0.25) |
| AlPu-10Sed.tdb | 1150.45 | LIQUID (x(Pu) 0.05433) + AL4PU_D1B (x(Pu) 0.2) + AL3PU_9H (x(Pu) 0.25) |
| AlPu-10Sed.tdb | 1094.92 | AL2PU_C15 (x(Pu) 0.33333) + BCC_A2 (x(Pu) 0.95813) + LIQUID (x(Pu) 0.99554) |
| AlPu-10Sed.tdb | 1063.24 | AL2PU_C15 (x(Pu) 0.33333) + ALPU_A12 (x(Pu) 0.5) + BCC_A2 (x(Pu) 0.96012) |
| AlPu-10Sed.tdb | 1060.75 | ALPU_A12 (x(Pu) 0.5) + FCC_A1 (x(Pu) 0.91407) + BCC_A2 (x(Pu) 0.9603) |
| AlPu-10Sed.tdb | 1013.11 | ALPU_A12 (x(Pu) 0.5) + ALPU3 (x(Pu) 0.75) + FCC_A1 (x(Pu) 0.9133) |
| AlPu-10Sed.tdb | 927.02 | FCC_A1 (x(Pu) 0) + LIQUID (x(Pu) 0.00873) + AL4PU_D1B (x(Pu) 0.2) |
| AlPu-10Sed.tdb | 755.51 | FCC_A1 (x(Pu) 0.99969) + BCC_A2 (x(Pu) 0.99994) + TETRAGONAL_A6 (x(Pu) 1) |
| AlPu-10Sed.tdb | 487.9 | FCC_A1 (x(Pu) 0.97301) + BETA_PU (x(Pu) 1) + GAMMA_PU (x(Pu) 1) |
| AlPu-10Sed.tdb | 483.06 | ALPU3 (x(Pu) 0.75) + FCC_A1 (x(Pu) 0.97092) + BETA_PU (x(Pu) 1) |
| AlPu-10Sed.tdb | 397.62 | ALPU3 (x(Pu) 0.75) + ALPHA_PU (x(Pu) 1) + BETA_PU (x(Pu) 1) |
| AlPu-16Per.tdb | 1718.42 | LIQUID (x(Pu) 0.22896) + AL3PU_L12 (x(Pu) 0.25) + AL2PU_C15 (x(Pu) 0.33333) |
| AlPu-16Per.tdb | 1718.42 | LIQUID (x(Pu) 0.22916) + AL3PU_L12 (x(Pu) 0.25) + AL2PU_C15 (x(Pu) 0.33333) |
| AlPu-16Per.tdb | 1450 | AL3PU_L12 (x(Pu) 0.25) + AL3PU_6H (x(Pu) 0.25) + AL2PU_C15 (x(Pu) 0.33333) |
| AlPu-16Per.tdb | 1450 | LIQUID (x(Pu) 0.11312) + AL3PU_L12 (x(Pu) 0.25) + AL3PU_6H (x(Pu) 0.25) |
| AlPu-16Per.tdb | 1450 | LIQUID (x(Pu) 0.11321) + AL3PU_6H (x(Pu) 0.25) + AL3PU_L12 (x(Pu) 0.25) |
| AlPu-16Per.tdb | 1300 | AL3PU_9HB (x(Pu) 0.25) + AL3PU_6H (x(Pu) 0.25) + AL2PU_C15 (x(Pu) 0.33333) |
| AlPu-16Per.tdb | 1300 | LIQUID (x(Pu) 0.07899) + AL3PU_9HB (x(Pu) 0.25) + AL3PU_6H (x(Pu) 0.25) |
| AlPu-16Per.tdb | 1300 | LIQUID (x(Pu) 0.07891) + AL3PU_6H (x(Pu) 0.25) + AL3PU_9HB (x(Pu) 0.25) |
| AlPu-16Per.tdb | 1222.13 | LIQUID (x(Pu) 0.06245) + AL4PU_D1B (x(Pu) 0.2) + AL3PU_9HB (x(Pu) 0.25) |
| AlPu-16Per.tdb | 1222.13 | LIQUID (x(Pu) 0.06239) + AL4PU_D1B (x(Pu) 0.2) + AL3PU_9HB (x(Pu) 0.25) |
| AlPu-16Per.tdb | 1222.13 | LIQUID (x(Pu) 0.06234) + AL4PU_D1B (x(Pu) 0.2) + AL3PU_9HB (x(Pu) 0.25) |
| AlPu-16Per.tdb | 1200 | AL3PU_9HB (x(Pu) 0.25) + AL3PU_9HA (x(Pu) 0.25) + AL2PU_C15 (x(Pu) 0.33333) |
| AlPu-16Per.tdb | 1200 | AL4PU_D1B (x(Pu) 0.2) + AL3PU_9HA (x(Pu) 0.25) + AL3PU_9HB (x(Pu) 0.25) |
| AlPu-16Per.tdb | 1081.74 | AL2PU_C15 (x(Pu) 0.33333) + BCC_A2 (x(Pu) 0.84401) + LIQUID (x(Pu) 0.91965) |
| AlPu-16Per.tdb | 1055.61 | AL2PU_C15 (x(Pu) 0.33333) + FCC_A1 (x(Pu) 0.84604) + BCC_A2 (x(Pu) 0.84731) |
| AlPu-16Per.tdb | 932.16 | FCC_A1 (x(Pu) 6.100e-4) + LIQUID (x(Pu) 0.00243) + AL4PU_D1B (x(Pu) 0.2) |
| AlPu-16Per.tdb | 932.16 | FCC_A1 (x(Pu) 6.000e-4) + LIQUID (x(Pu) 0.00237) + AL4PU_D1B (x(Pu) 0.2) |
| AlPu-16Per.tdb | 894.02 | AL2PU_C15 (x(Pu) 0.33333) + ALPU_A12 (x(Pu) 0.5) + FCC_A1 (x(Pu) 0.85269) |
| AlPu-16Per.tdb | 894.02 | AL2PU_C15 (x(Pu) 0.33333) + ALPU_A12 (x(Pu) 0.5) + FCC_A1 (x(Pu) 0.85269) |
| AlPu-16Per.tdb | 894.02 | AL2PU_C15 (x(Pu) 0.33333) + ALPU_A12 (x(Pu) 0.5) + FCC_A1 (x(Pu) 0.85268) |
| AlPu-16Per.tdb | 863.55 | ALPU_A12 (x(Pu) 0.5) + ALPU3 (x(Pu) 0.75) + FCC_A1 (x(Pu) 0.85405) |
| AlPu-16Per.tdb | 863.55 | ALPU_A12 (x(Pu) 0.5) + ALPU3 (x(Pu) 0.75) + FCC_A1 (x(Pu) 0.85406) |
| AlPu-16Per.tdb | 755.31 | FCC_A1 (x(Pu) 0.99971) + BCC_A2 (x(Pu) 0.99987) + TETRAGONAL_A6 (x(Pu) 1) |
| AlPu-16Per.tdb | 487.9 | FCC_A1 (x(Pu) 0.97525) + BETA_PU (x(Pu) 1) + GAMMA_PU (x(Pu) 1) |
| AlPu-16Per.tdb | 473.95 | AL2PU_C15 (x(Pu) 0.33333) + ALPU_A12 (x(Pu) 0.5) + ALPU3 (x(Pu) 0.75) |
| AlPu-16Per.tdb | 397.62 | FCC_A1 (x(Pu) 0.94644) + ALPHA_PU (x(Pu) 1) + BETA_PU (x(Pu) 1) |
| AlPu-16Per.tdb | 368.17 | ALPU3 (x(Pu) 0.75) + FCC_A1 (x(Pu) 0.91379) + ALPHA_PU (x(Pu) 1) |
| AlPu-16Per.tdb | 368.17 | ALPU3 (x(Pu) 0.75) + FCC_A1 (x(Pu) 0.91385) + ALPHA_PU (x(Pu) 1) |

Convex hulls: [Materials Project DFT hull](https://data.orchid-project.org/hulls/dft-mp/AL/AL-PU.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/AL/AL-PU.json) · [CALPHAD hull AlPu-04Tur](https://data.orchid-project.org/hulls/calphad-sgte/AL/AL-PU--AlPu-04Tur.json) · [CALPHAD hull AlPu-10Sed](https://data.orchid-project.org/hulls/calphad-sgte/AL/AL-PU--AlPu-10Sed.json)

## 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–Pu system (5)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| PuAl2 |  | -159.2 kJ/mol (basis unstated) |  | DFT |  |  | [1] Sedmidubský 2010 | Table 2, p. 3, row 3; `ORC-EXMKTYQAEE.487c6e` |  |
| PuAl3-3H |  | -169.1 kJ/mol (basis unstated) |  | DFT |  |  | [1] Sedmidubský 2010 | Table 2, p. 3, row 6; `ORC-TUZYUF2AN2.3d97c6` |  |
| PuAl3-6H |  | -172.4 kJ/mol (basis unstated) |  | DFT |  |  | [1] Sedmidubský 2010 | Table 2, p. 3, row 7; `ORC-B5J3INFT6T.2f7e5c` |  |
| PuAl3-9H |  | -174.3 kJ/mol (basis unstated) |  | DFT |  |  | [1] Sedmidubský 2010 | Table 2, p. 3, row 8; `ORC-UWUMCL7YBH.160896` |  |
| PuAl4 |  | -154.7 kJ/mol (basis unstated) |  | DFT |  |  | [1] Sedmidubský 2010 | Table 2, p. 3, row 11; `ORC-Y4LLUDKLZK.5a8190` |  |

## Other properties

### Formation (2)

Table: Formation, Al–Pu system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Entropy of formation; _printed: ΔfS°298_ | -1.4 J/mol (basis unstated)/K | 298.15 | PuAl2; _alloy: Pu 0.333333_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 3; `ORC-EXMKTYQAEE.eccc4c` |  |
| Entropy of formation; _printed: ΔfS°298_ | -10.4 J/mol (basis unstated)/K | 298.15 | PuAl3-3H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 6; `ORC-TUZYUF2AN2.a5c83b` |  |

### Heat capacity / entropy / enthalpy (19)

Table: Heat capacity / entropy / enthalpy, Al–Pu system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| heat content contribution; _printed: H°298 - H°0 (ph.)_ | 24.1 kJ mol^-1 | 298.15 | PuAl2; _alloy: Pu 0.333333_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 3; `ORC-EXMKTYQAEE.18d3a0` |  |
| heat content contribution; _printed: H°298 - H°0 (el.)_ | 0.64 kJ mol^-1 | 298.15 | PuAl2; _alloy: Pu 0.333333_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 3; `ORC-EXMKTYQAEE.527674` |  |
| heat content contribution; _printed: H°298 − H°0 (el.)_ | 0.97 kJ mol−1 | 298.15 | PuAl3-3H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 6; `ORC-TUZYUF2AN2.1db402` |  |
| heat content contribution; _printed: H°298 - H°0 (ph.)_ | 32 kJ mol^-1 | 298.15 | PuAl3-3H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 6; `ORC-TUZYUF2AN2.2b1c76` |  |
| heat content contribution; _printed: H°298 - H°0 (el.)_ | 0.97 kJ mol^-1 | 298.15 | PuAl3-3H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 6; `ORC-TUZYUF2AN2.53692c` |  |
| heat content contribution; _printed: H°298 − H°0 (ph.)_ | 32 kJ mol−1 | 298.15 | PuAl3-3H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 6; `ORC-TUZYUF2AN2.f74027` |  |
| heat content contribution; _printed: H°298 − H°0 (el.)_ | 0.71 kJ mol−1 | 298.15 | PuAl3-6H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 7; `ORC-B5J3INFT6T.a43290` |  |
| heat content contribution; _printed: H°298 - H°0 (el.)_ | 0.71 kJ mol^-1 | 298.15 | PuAl3-6H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 7; `ORC-B5J3INFT6T.f10c93` |  |
| heat content contribution; _printed: H°298 - H°0 (el.)_ | 0.75 kJ mol^-1 | 298.15 | PuAl3-9H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 8; `ORC-UWUMCL7YBH.79ba08` |  |
| heat content contribution; _printed: H°298 − H°0 (el.)_ | 0.75 kJ mol−1 | 298.15 | PuAl3-9H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 8; `ORC-UWUMCL7YBH.b4d9dd` |  |
| heat content contribution; _printed: H°298 - H°0 (el.)_ | 0.98 kJ mol^-1 | 298.15 | PuAl4; _alloy: Pu 0.2_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 11; `ORC-Y4LLUDKLZK.1d82fb` |  |
| heat content contribution; _printed: H°298 − H°0 (el.)_ | 0.98 kJ mol−1 | 298.15 | PuAl4; _alloy: Pu 0.2_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 11; `ORC-Y4LLUDKLZK.6cc2f4` |  |
| sm contribution; _printed: S°298 (ph.)_ | 105.3 J/mol (basis unstated)/K | 298.15 | PuAl2; _alloy: Pu 0.333333_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 3; `ORC-EXMKTYQAEE.970dff` |  |
| sm contribution; _printed: S°298 (el.)_ | 4.3 J/mol (basis unstated)/K | 298.15 | PuAl2; _alloy: Pu 0.333333_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 3; `ORC-EXMKTYQAEE.f347fc` |  |
| sm contribution; _printed: S°298 (el.)_ | 6.5 J/mol (basis unstated)/K | 298.15 | PuAl3-3H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 6; `ORC-TUZYUF2AN2.64073e` |  |
| sm contribution; _printed: S°298 (ph.)_ | 122.4 J/mol (basis unstated)/K | 298.15 | PuAl3-3H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 6; `ORC-TUZYUF2AN2.849505` |  |
| sm contribution; _printed: S°298 (el.)_ | 4.8 J/mol (basis unstated)/K | 298.15 | PuAl3-6H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 7; `ORC-B5J3INFT6T.15d19a` |  |
| sm contribution; _printed: S°298 (el.)_ | 5 J/mol (basis unstated)/K | 298.15 | PuAl3-9H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 8; `ORC-UWUMCL7YBH.0ee38f` |  |
| sm contribution; _printed: S°298 (el.)_ | 6.5 J/mol (basis unstated)/K | 298.15 | PuAl4; _alloy: Pu 0.2_ | DFT | [1] Sedmidubský 2010 | Table 2, p. 3, row 11; `ORC-Y4LLUDKLZK.02c620` |  |

### Crystal structure (12)

Table: Crystal structure, Al–Pu system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a | 7.831 Å | 298.15 | PuAl2; _alloy: Pu 0.333333_ | DFT | [1] Sedmidubský 2010; _cites Runnalls 1962_ | Table 1, p. 2, row 3; `ORC-72JSO7NAY7.463dd0` |  |
| Lattice a | 4.262 Å | 298.15 | PuAl3-3H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010; _cites Runnalls 1965_ [doi](https://doi.org/10.1016/0022-3115%2865%2990109-1) | Table 1, p. 2, row 6; `ORC-V5G2BUQYTS.13f81b` |  |
| Lattice a | 6.15 Å | 298.15 | PuAl3-9H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010; _cites Runnalls 1965_ [doi](https://doi.org/10.1016/0022-3115%2865%2990109-1) | Table 1, p. 2, row 7; `ORC-TWSXPQI6KC.03d460` |  |
| Lattice a | 4.42 Å | 298.15 | PuAl4; _alloy: Pu 0.2_ | DFT | [1] Sedmidubský 2010; _cites Runnalls 2010_ | Table 1, p. 2, row 10; `ORC-WHXED7JVJ4.9133ae` |  |
| Lattice b | 7.831 Å | 298.15 | PuAl2; _alloy: Pu 0.333333_ | DFT | [1] Sedmidubský 2010; _cites Runnalls 1962_ | Table 1, p. 2, row 3; `ORC-72JSO7NAY7.1b0ac9` |  |
| Lattice b | 4.262 Å | 298.15 | PuAl3-3H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010; _cites Runnalls 1965_ [doi](https://doi.org/10.1016/0022-3115%2865%2990109-1) | Table 1, p. 2, row 6; `ORC-V5G2BUQYTS.4ae8f9` |  |
| Lattice b | 6.15 Å | 298.15 | PuAl3-9H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010; _cites Runnalls 1965_ [doi](https://doi.org/10.1016/0022-3115%2865%2990109-1) | Table 1, p. 2, row 7; `ORC-TWSXPQI6KC.8b3069` |  |
| Lattice b | 6.26 Å | 298.15 | PuAl4; _alloy: Pu 0.2_ | DFT | [1] Sedmidubský 2010; _cites Runnalls 2010_ | Table 1, p. 2, row 10; `ORC-WHXED7JVJ4.370463` |  |
| Lattice c | 7.831 Å | 298.15 | PuAl2; _alloy: Pu 0.333333_ | DFT | [1] Sedmidubský 2010; _cites Runnalls 1962_ | Table 1, p. 2, row 3; `ORC-72JSO7NAY7.f35510` |  |
| Lattice c | 4.262 Å | 298.15 | PuAl3-3H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010; _cites Runnalls 1965_ [doi](https://doi.org/10.1016/0022-3115%2865%2990109-1) | Table 1, p. 2, row 6; `ORC-V5G2BUQYTS.3c823d` |  |
| Lattice c | 21.1 Å | 298.15 | PuAl3-9H; _alloy: Pu 0.25_ | DFT | [1] Sedmidubský 2010; _cites Runnalls 1965_ [doi](https://doi.org/10.1016/0022-3115%2865%2990109-1) | Table 1, p. 2, row 7; `ORC-TWSXPQI6KC.0fa086` |  |
| Lattice c | 13.66 Å | 298.15 | PuAl4; _alloy: Pu 0.2_ | DFT | [1] Sedmidubský 2010; _cites Runnalls 2010_ | Table 1, p. 2, row 10; `ORC-WHXED7JVJ4.184b14` |  |

## Sources

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

1. D. Sedmidubský, R.J.M. Konings, P. Souček, Ab-initio calculations and phase diagram assessments of An–Al systems (An= U, Np, Pu), Journal of Nuclear Materials 397, 1-7 (2010). [doi:10.1016/j.jnucmat.2009.11.023](https://doi.org/10.1016/j.jnucmat.2009.11.023)

## 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/).