Cr–Re system

102 accepted literature values from 2 paper(s) (experimental 6, model 6, DFT 90); 4 calculated phase diagram(s). 3 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	6
model	6
DFT	90

Accepted values by property group
Property group	Values
invariant reaction	12
formation	30
crystal structure	60

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
CrRe-18Guo.tdb	C. Guo, T. Wu, C. Li, Z. Du, Calphad, 61, 33-40(2018). doi:10.1016/j.calphad.2018.01.005	`0d9eb3deb13b10c15bb54015c490f995aa071b502d557a8da46bf4b51667df4f`	viewer · TDB · JSON
CrRe-24Per.tdb	J.C. Pereira dos Santos, S. Griesemer, N. Dupin, U.R. Kattner, C. Liu, D. Ivanova, T. Hammerschmidt, S.G. Fries, C. Wolverton, C.E. Campbell, J. Phase Equilib. Diffus., 45, 330-57(2024). doi:10.1007/s11669-023-01079-3	`ea858eb0298693a4ebdc6be6890b2371f99e25646b0f63ef5b1de8db4f537f89`	viewer · TDB · JSON
CrRe-98Hua-newsigma.tdb	W. Huang, Y.A. Chang, J. Alloys Compd., 274, 209-16(1998). doi:10.1016/S0925-8388(98)00572-6	`59cdf7ec1d69771a0c75b37bf4e708c6bfab8dca21ce5d77238d495194da8b5f`	viewer · TDB · JSON
CrRe-98Hua-oldsigma.tdb	W. Huang, Y.A. Chang, J. Alloys Compd., 274, 209-16(1998). doi:10.1016/S0925-8388(98)00572-6	`a7917c884c427729077529d158a2e445790f52aadaaa935acb52c50bfe651633`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
CrRe-18Guo.tdb	2608.06	LIQUID (x(Re) 0.54485) + SIGMA_D8B (x(Re) 0.62883) + HCP_A3 (x(Re) 0.72632)
CrRe-18Guo.tdb	2423.01	LIQUID (x(Re) 0.39802) + BCC_A2 (x(Re) 0.49234) + SIGMA_D8B (x(Re) 0.59018)
CrRe-24Per.tdb	2657.56	LIQUID (x(Re) 0.64949) + SIGMA_D8B (x(Re) 0.69583) + HCP_A3 (x(Re) 0.83729)
CrRe-24Per.tdb	2396.24	LIQUID (x(Re) 0.41237) + BCC_A2 (x(Re) 0.44206) + SIGMA_D8B (x(Re) 0.50368)
CrRe-98Hua-newsigma.tdb	2635.17	LIQUID (x(Re) 0.45943) + SIGMA_D8B (x(Re) 0.62305) + HCP_A3 (x(Re) 0.77412)
CrRe-98Hua-newsigma.tdb	2553.19	LIQUID (x(Re) 0.39771) + BCC_A2 (x(Re) 0.49514) + SIGMA_D8B (x(Re) 0.59264)
CrRe-98Hua-newsigma.tdb	451.57	BCC_A2 (x(Re) 0.23903) + SIGMA_D8B (x(Re) 0.66007) + HCP_A3 (x(Re) 0.99749)
CrRe-98Hua-oldsigma.tdb	2634.52	LIQUID (x(Re) 0.45736) + SIGMA_OLD (x(Re) 0.62452) + HCP_A3 (x(Re) 0.7758)
CrRe-98Hua-oldsigma.tdb	2553.5	LIQUID (x(Re) 0.39684) + BCC_A2 (x(Re) 0.495) + SIGMA_OLD (x(Re) 0.59205)
CrRe-98Hua-oldsigma.tdb	538.12	BCC_A2 (x(Re) 0.25084) + SIGMA_OLD (x(Re) 0.65278) + HCP_A3 (x(Re) 0.99443)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull CrRe-18Guo · CALPHAD hull CrRe-98Hua-newsigma · CALPHAD hull CrRe-98Hua-oldsigma

Invariant reactions (literature)

Invariant reactions reported in the literature for the Cr–Re system (12)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
2635	liquid + h.c.p. Re -> σ	liquid: Re 0.457; h.c.p. Re: Re 0.776; σ: Re 0.625	model	[1] Palumbo 2010 cites Huang 1998 doi	Table 2, p. 8, row 3 report
2635	L + hcp = σ	L: Re 0.457; hcp: Re 0.776; σ: Re 0.625	model	[2] Huang 1998	Table 3, p. 4, row 2 report
2627	liquid + h.c.p. Re -> σ	liquid: Re 0.48; h.c.p. Re: Re 0.75; σ: Re 0.63	experimental	[1] Palumbo 2010 cites Savitskii 1959	Table 2, p. 8, row 1 report
2627	L + hcp = σ	L: Re 0.48; hcp: Re 0.75; σ: Re 0.63	experimental	[2] Huang 1998	Table 3, p. 4, row 1 report
2614	liquid + h.c.p. Re -> σ	liquid: Re 0.635; h.c.p. Re: Re 0.829; σ: Re 0.667	model	[1] Palumbo 2010	Table 2, p. 8, row 4 report
2608	liquid + h.c.p. Re -> σ	h.c.p. Re: Re 0.83; σ: Re 0.72	experimental	[1] Palumbo 2010 cites Gritsiv 1999 doi	Table 2, p. 8, row 2 report
2557	L + σ = bcc	L: Re 0.4; σ: Re 0.58; bcc: Re 0.5	experimental	[2] Huang 1998	Table 3, p. 4, row 3 report
2557	liquid + σ -> b.c.c. Cr	liquid: Re 0.41; σ: Re 0.57; b.c.c. Cr: Re 0.5	experimental	[1] Palumbo 2010 cites Savitskii 1959	Table 2, p. 8, row 5 report
2553	liquid + σ -> b.c.c. Cr	liquid: Re 0.397; σ: Re 0.592; b.c.c. Cr: Re 0.495	model	[1] Palumbo 2010 cites Huang 1998 doi	Table 2, p. 8, row 7 report
2553	L + σ = bcc	L: Re 0.397; σ: Re 0.592; bcc: Re 0.495	model	[2] Huang 1998	Table 3, p. 4, row 4 report
2423	liquid + σ -> b.c.c. Cr	σ: Re 0.5; b.c.c. Cr: Re 0.43	experimental	[1] Palumbo 2010 cites Gritsiv 1999 doi	Table 2, p. 8, row 6 report
2418	liquid + σ -> b.c.c. Cr	liquid: Re 0.453; σ: Re 0.557; b.c.c. Cr: Re 0.482	model	[1] Palumbo 2010	Table 2, p. 8, row 8 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, Cr–Re system (30)
Phase	Value	Class	Source	Location
sigma CrCrCrCrRe	11.2 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 2 report
sigma CrCrCrReCr	12.8 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 3 report
sigma CrCrCrReRe	14.2 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 4 report
sigma CrCrReCrCr	4.8 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 5 report
sigma CrCrReCrRe	3.2 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 6 report
sigma CrCrReReCr	7.5 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 7 report
sigma CrCrReReRe	7.5 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 8 report
sigma CrReCrCrCr	5.7 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 9 report
sigma CrReCrCrRe	5.4 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 10 report
sigma CrReCrReCr	6.6 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 11 report
sigma CrReCrReRe	8.9 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 12 report
sigma CrReReCrCr	1 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 13 report
sigma CrReReCrRe	1.3 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 14 report
sigma CrReReReCr	3.7 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 15 report
sigma CrReReReRe	6 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 16 report
sigma ReCrCrCrCr	13.9 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 17 report
sigma ReCrCrCrRe	13.6 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 18 report
sigma ReCrCrReCr	15 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 19 report
sigma ReCrCrReRe	16.8 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 20 report
sigma ReCrReCrCr	5.6 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 21 report
sigma ReCrReCrRe	5.1 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 22 report
sigma ReCrReReCr	10 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 23 report
sigma ReCrReReRe	10.8 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 24 report
sigma ReReCrCrCr	8.2 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 25 report
sigma ReReCrCrRe	8 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 26 report
sigma ReReCrReCr	9.6 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 27 report
sigma ReReCrReRe	11.7 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 28 report
sigma ReReReCrCr	2.2 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 29 report
sigma ReReReCrRe	3.4 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 30 report
sigma ReReReReCr	6.3 kJ/mol-atom	DFT	[1] Palumbo 2010	Table 1, p. 4, row 31 report

Other properties

Crystal structure (60)

Crystal structure, Cr–Re system
Property	Value	Phases / composition	Class	Source	Location
Lattice a printed: a	8.835 Å	sigma CrCrCrCrRe alloy: Cr 0.733, Re 0.267	DFT	[1] Palumbo 2010	Table 1, p. 4, row 2 report
Lattice a printed: a	9.112 Å	sigma CrCrCrReCr alloy: Cr 0.733, Re 0.267	DFT	[1] Palumbo 2010	Table 1, p. 4, row 3 report
Lattice a printed: a	9.183 Å	sigma CrCrCrReRe alloy: Cr 0.467, Re 0.533	DFT	[1] Palumbo 2010	Table 1, p. 4, row 4 report
Lattice a printed: a	9.019 Å	sigma CrCrReCrCr alloy: Cr 0.733, Re 0.267	DFT	[1] Palumbo 2010	Table 1, p. 4, row 5 report
Lattice a printed: a	9.075 Å	sigma CrCrReCrRe alloy: Cr 0.467, Re 0.533	DFT	[1] Palumbo 2010	Table 1, p. 4, row 6 report
Lattice a printed: a	9.347 Å	sigma CrCrReReCr alloy: Cr 0.467, Re 0.533	DFT	[1] Palumbo 2010	Table 1, p. 4, row 7 report
Lattice a printed: a	9.389 Å	sigma CrCrReReRe alloy: Cr 0.2, Re 0.8	DFT	[1] Palumbo 2010	Table 1, p. 4, row 8 report
Lattice a printed: a	8.855 Å	sigma CrReCrCrCr alloy: Cr 0.867, Re 0.133	DFT	[1] Palumbo 2010	Table 1, p. 4, row 9 report
Lattice a printed: a	8.932 Å	sigma CrReCrCrRe alloy: Cr 0.6, Re 0.4	DFT	[1] Palumbo 2010	Table 1, p. 4, row 10 report
Lattice a printed: a	9.175 Å	sigma CrReCrReCr alloy: Cr 0.6, Re 0.4	DFT	[1] Palumbo 2010	Table 1, p. 4, row 11 report
Lattice a printed: a	9.234 Å	sigma CrReCrReRe alloy: Cr 0.333, Re 0.667	DFT	[1] Palumbo 2010	Table 1, p. 4, row 12 report
Lattice a printed: a	9.171 Å	sigma CrReReCrCr alloy: Cr 0.6, Re 0.4	DFT	[1] Palumbo 2010	Table 1, p. 4, row 13 report
Lattice a printed: a	9.206 Å	sigma CrReReCrRe alloy: Cr 0.333, Re 0.667	DFT	[1] Palumbo 2010	Table 1, p. 4, row 14 report
Lattice a printed: a	9.435 Å	sigma CrReReReCr alloy: Cr 0.333, Re 0.667	DFT	[1] Palumbo 2010	Table 1, p. 4, row 15 report
Lattice a printed: a	9.469 Å	sigma CrReReReRe alloy: Cr 0.067, Re 0.933	DFT	[1] Palumbo 2010	Table 1, p. 4, row 16 report
Lattice a printed: a	8.856 Å	sigma ReCrCrCrCr alloy: Cr 0.933, Re 0.067	DFT	[1] Palumbo 2010	Table 1, p. 4, row 17 report
Lattice a printed: a	8.942 Å	sigma ReCrCrCrRe alloy: Cr 0.667, Re 0.333	DFT	[1] Palumbo 2010	Table 1, p. 4, row 18 report
Lattice a printed: a	9.222 Å	sigma ReCrCrReCr alloy: Cr 0.667, Re 0.333	DFT	[1] Palumbo 2010	Table 1, p. 4, row 19 report
Lattice a printed: a	9.268 Å	sigma ReCrCrReRe alloy: Cr 0.4, Re 0.6	DFT	[1] Palumbo 2010	Table 1, p. 4, row 20 report
Lattice a printed: a	9.116 Å	sigma ReCrReCrCr alloy: Cr 0.667, Re 0.333	DFT	[1] Palumbo 2010	Table 1, p. 4, row 21 report
Lattice a printed: a	9.164 Å	sigma ReCrReCrRe alloy: Cr 0.4, Re 0.6	DFT	[1] Palumbo 2010	Table 1, p. 4, row 22 report
Lattice a printed: a	9.442 Å	sigma ReCrReReCr alloy: Cr 0.4, Re 0.6	DFT	[1] Palumbo 2010	Table 1, p. 4, row 23 report
Lattice a printed: a	9.478 Å	sigma ReCrReReRe alloy: Cr 0.133, Re 0.867	DFT	[1] Palumbo 2010	Table 1, p. 4, row 24 report
Lattice a printed: a	8.951 Å	sigma ReReCrCrCr alloy: Cr 0.8, Re 0.2	DFT	[1] Palumbo 2010	Table 1, p. 4, row 25 report
Lattice a printed: a	9.019 Å	sigma ReReCrCrRe alloy: Cr 0.533, Re 0.467	DFT	[1] Palumbo 2010	Table 1, p. 4, row 26 report
Lattice a printed: a	9.265 Å	sigma ReReCrReCr alloy: Cr 0.533, Re 0.467	DFT	[1] Palumbo 2010	Table 1, p. 4, row 27 report
Lattice a printed: a	9.333 Å	sigma ReReCrReRe alloy: Cr 0.267, Re 0.733	DFT	[1] Palumbo 2010	Table 1, p. 4, row 28 report
Lattice a printed: a	9.252 Å	sigma ReReReCrCr alloy: Cr 0.533, Re 0.467	DFT	[1] Palumbo 2010	Table 1, p. 4, row 29 report
Lattice a printed: a	9.284 Å	sigma ReReReCrRe alloy: Cr 0.267, Re 0.733	DFT	[1] Palumbo 2010	Table 1, p. 4, row 30 report
Lattice a printed: a	9.527 Å	sigma ReReReReCr alloy: Cr 0.267, Re 0.733	DFT	[1] Palumbo 2010	Table 1, p. 4, row 31 report
Lattice c printed: c	4.904 Å	sigma CrCrCrCrRe alloy: Cr 0.733, Re 0.267	DFT	[1] Palumbo 2010	Table 1, p. 4, row 2 report
Lattice c printed: c	4.644 Å	sigma CrCrCrReCr alloy: Cr 0.733, Re 0.267	DFT	[1] Palumbo 2010	Table 1, p. 4, row 3 report
Lattice c printed: c	4.934 Å	sigma CrCrCrReRe alloy: Cr 0.467, Re 0.533	DFT	[1] Palumbo 2010	Table 1, p. 4, row 4 report
Lattice c printed: c	4.641 Å	sigma CrCrReCrCr alloy: Cr 0.733, Re 0.267	DFT	[1] Palumbo 2010	Table 1, p. 4, row 5 report
Lattice c printed: c	4.934 Å	sigma CrCrReCrRe alloy: Cr 0.467, Re 0.533	DFT	[1] Palumbo 2010	Table 1, p. 4, row 6 report
Lattice c printed: c	4.734 Å	sigma CrCrReReCr alloy: Cr 0.467, Re 0.533	DFT	[1] Palumbo 2010	Table 1, p. 4, row 7 report
Lattice c printed: c	4.99 Å	sigma CrCrReReRe alloy: Cr 0.2, Re 0.8	DFT	[1] Palumbo 2010	Table 1, p. 4, row 8 report
Lattice c printed: c	4.611 Å	sigma CrReCrCrCr alloy: Cr 0.867, Re 0.133	DFT	[1] Palumbo 2010	Table 1, p. 4, row 9 report
Lattice c printed: c	4.918 Å	sigma CrReCrCrRe alloy: Cr 0.6, Re 0.4	DFT	[1] Palumbo 2010	Table 1, p. 4, row 10 report
Lattice c printed: c	4.695 Å	sigma CrReCrReCr alloy: Cr 0.6, Re 0.4	DFT	[1] Palumbo 2010	Table 1, p. 4, row 11 report
Lattice c printed: c	4.97 Å	sigma CrReCrReRe alloy: Cr 0.333, Re 0.667	DFT	[1] Palumbo 2010	Table 1, p. 4, row 12 report
Lattice c printed: c	4.654 Å	sigma CrReReCrCr alloy: Cr 0.6, Re 0.4	DFT	[1] Palumbo 2010	Table 1, p. 4, row 13 report
Lattice c printed: c	4.931 Å	sigma CrReReCrRe alloy: Cr 0.333, Re 0.667	DFT	[1] Palumbo 2010	Table 1, p. 4, row 14 report
Lattice c printed: c	4.771 Å	sigma CrReReReCr alloy: Cr 0.333, Re 0.667	DFT	[1] Palumbo 2010	Table 1, p. 4, row 15 report
Lattice c printed: c	5.006 Å	sigma CrReReReRe alloy: Cr 0.067, Re 0.933	DFT	[1] Palumbo 2010	Table 1, p. 4, row 16 report
Lattice c printed: c	4.578 Å	sigma ReCrCrCrCr alloy: Cr 0.933, Re 0.067	DFT	[1] Palumbo 2010	Table 1, p. 4, row 17 report
Lattice c printed: c	4.907 Å	sigma ReCrCrCrRe alloy: Cr 0.667, Re 0.333	DFT	[1] Palumbo 2010	Table 1, p. 4, row 18 report
Lattice c printed: c	4.643 Å	sigma ReCrCrReCr alloy: Cr 0.667, Re 0.333	DFT	[1] Palumbo 2010	Table 1, p. 4, row 19 report
Lattice c printed: c	4.956 Å	sigma ReCrCrReRe alloy: Cr 0.4, Re 0.6	DFT	[1] Palumbo 2010	Table 1, p. 4, row 20 report
Lattice c printed: c	4.651 Å	sigma ReCrReCrCr alloy: Cr 0.667, Re 0.333	DFT	[1] Palumbo 2010	Table 1, p. 4, row 21 report
Lattice c printed: c	4.939 Å	sigma ReCrReCrRe alloy: Cr 0.4, Re 0.6	DFT	[1] Palumbo 2010	Table 1, p. 4, row 22 report
Lattice c printed: c	4.748 Å	sigma ReCrReReCr alloy: Cr 0.4, Re 0.6	DFT	[1] Palumbo 2010	Table 1, p. 4, row 23 report
Lattice c printed: c	4.993 Å	sigma ReCrReReRe alloy: Cr 0.133, Re 0.867	DFT	[1] Palumbo 2010	Table 1, p. 4, row 24 report
Lattice c printed: c	4.636 Å	sigma ReReCrCrCr alloy: Cr 0.8, Re 0.2	DFT	[1] Palumbo 2010	Table 1, p. 4, row 25 report
Lattice c printed: c	4.924 Å	sigma ReReCrCrRe alloy: Cr 0.533, Re 0.467	DFT	[1] Palumbo 2010	Table 1, p. 4, row 26 report
Lattice c printed: c	4.71 Å	sigma ReReCrReCr alloy: Cr 0.533, Re 0.467	DFT	[1] Palumbo 2010	Table 1, p. 4, row 27 report
Lattice c printed: c	4.962 Å	sigma ReReCrReRe alloy: Cr 0.267, Re 0.733	DFT	[1] Palumbo 2010	Table 1, p. 4, row 28 report
Lattice c printed: c	4.676 Å	sigma ReReReCrCr alloy: Cr 0.533, Re 0.467	DFT	[1] Palumbo 2010	Table 1, p. 4, row 29 report
Lattice c printed: c	4.939 Å	sigma ReReReCrRe alloy: Cr 0.267, Re 0.733	DFT	[1] Palumbo 2010	Table 1, p. 4, row 30 report
Lattice c printed: c	4.777 Å	sigma ReReReReCr alloy: Cr 0.267, Re 0.733	DFT	[1] Palumbo 2010	Table 1, p. 4, row 31 report

Sources

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

M. Palumbo, T. Abe, C. Kocer, H. Murakami, H. Onodera, Ab initio and thermodynamic study of the Cr–Re system, Calphad 34, 495-503 (2010). doi:10.1016/j.calphad.2010.09.003
W. Huang, Y.A. Chang, Thermodynamic analysis of the Cr–Re system and prediction of the Cr–Ni–Re system, Journal of Alloys and Compounds 274, 209-216 (1998). doi:10.1016/s0925-8388(98)00572-6

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}
}