Al–Pu system

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

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (17) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
DFT	38

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.

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 · TDB · 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	`52307f110aa139d07f8affe1b7ce58d7241280c8a81279c321f748a29ecd4817`	viewer · TDB · 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	`782e1c2991439aa8ae1482c02e98518d89279eb38c3a6322f1a10faca3d6ff6c`	viewer · TDB · JSON

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 · OQMD DFT hull · CALPHAD hull AlPu-04Tur · CALPHAD hull AlPu-10Sed

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–Pu system (5)
Phase	Value	Class	Source	Location
PuAl2	-159.2 kJ/mol (basis unstated)	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 3 report
PuAl3-3H	-169.1 kJ/mol (basis unstated)	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 6 report
PuAl3-6H	-172.4 kJ/mol (basis unstated)	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 7 report
PuAl3-9H	-174.3 kJ/mol (basis unstated)	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 8 report
PuAl4	-154.7 kJ/mol (basis unstated)	DFT	[1] Sedmidubský 2010	Table 2, p. 3, row 11 report

Other properties

Formation (2)

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 report
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 report

Heat capacity / entropy / enthalpy (19)

Heat capacity / entropy / enthalpy, Al–Pu system
Property	Value	T (K)	Phases / composition	Class	Source	Location
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 report
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 report
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 report
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 report
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 report
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 report
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 report
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 report
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 report
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 report
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 report
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 report
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 report
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 report
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 report
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 report
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 report
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 report
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 report

Crystal structure (12)

Crystal structure, Al–Pu system
Property	Value	T (K)	Phases / composition	Class	Source	Location
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 report
Lattice a	4.262 Å	298.15	PuAl3-3H alloy: Pu 0.25	DFT	[1] Sedmidubský 2010 cites Runnalls 1965 doi	Table 1, p. 2, row 6 report
Lattice a	6.15 Å	298.15	PuAl3-9H alloy: Pu 0.25	DFT	[1] Sedmidubský 2010 cites Runnalls 1965 doi	Table 1, p. 2, row 7 report
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 report
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 report
Lattice b	4.262 Å	298.15	PuAl3-3H alloy: Pu 0.25	DFT	[1] Sedmidubský 2010 cites Runnalls 1965 doi	Table 1, p. 2, row 6 report
Lattice b	6.15 Å	298.15	PuAl3-9H alloy: Pu 0.25	DFT	[1] Sedmidubský 2010 cites Runnalls 1965 doi	Table 1, p. 2, row 7 report
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 report
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 report
Lattice c	4.262 Å	298.15	PuAl3-3H alloy: Pu 0.25	DFT	[1] Sedmidubský 2010 cites Runnalls 1965 doi	Table 1, p. 2, row 6 report
Lattice c	21.1 Å	298.15	PuAl3-9H alloy: Pu 0.25	DFT	[1] Sedmidubský 2010 cites Runnalls 1965 doi	Table 1, p. 2, row 7 report
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 report

Sources

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

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

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}
}