Al–C system

54 accepted literature values from 4 paper(s) (experimental 29, model 22, DFT 3); 6 calculated phase diagram(s). 22 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	29
model	22
DFT	3

Accepted values by property group
Property group	Values
invariant reaction	1
phase transition	10
formation	25
heat capacity / entropy / enthalpy	14
activity / EMF / Gibbs energy	4

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
AlC-04Oht.tdb	H. Ohtani, M. Yamano, M. Hasebe, Calphad, 28, 177-90(2004) doi:10.1016/j.calphad.2004.08.003	`e0359ec92f728c9d083c8f25632a8adcf98114ab39166596e5b8ada855e0c055`	viewer · TDB · JSON
AlC-19Def.tdb	G. Deffrennes, B. Gardiola, M. Allam, D. Chaussende, A. Pisch, J. Andrieux, R. Schmid-Fetzer, O. Dezellus, Calphad, 66, 101648(2019). doi:10.1016/j.calphad.2019.101648	`e41f1fe9d140d2fb9dcd5b193b980c5d8cfa17fc0d558cba6f4bfa35e764f803`	viewer · TDB · JSON
AlC-21He-3g.tdb	Z. He, B. Kaplan, H. Mao, M. Selleby, Calphad, 72, 102250(2021). doi:10.1016/j.calphad.2021.102250	`d59c8ca38ae9ee7e75726152d92e71935fc0c5d6aad8a1f4600a2374b490ae0e`	viewer · TDB · JSON
AlC-91Har.tdb	K.C. Hari Kumar, V. Raghavan, J. Phase Equilib., 12, 275-86(1991). doi:10.1007/BF02649916	`b9df7c92c4005d6352669ef1b845a124ff1d88f50d80b51b2ddce5a00c77e493`	viewer · TDB · JSON
AlC-94Qiu.tdb	C. Qiu, R. Metselaar, J. Alloys Compd., 216, 55-60(1994). doi:10.1016/0925-8388(94)91042-1	`e7bd588e9981ad7d6ea0efadf58e0482b9243e5bfcb78b55d9f280fda7253632`	viewer · TDB · JSON
AlC-95Gro-LB.tdb	J. Groebner, H.L. Lukas, F. Aldinger, J. Alloys Compd., 220, 8-14(1995) doi:10.1016/0925-8388(94)06028-2	`39c020c75ad739cafaa9db0b70b1943ed55525fe98e08c13c2d97804aa32e152`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
AlC-04Oht.tdb	2455.51	LIQUID (x(C) 0.18154) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-04Oht.tdb	2455.51	LIQUID (x(C) 0.18152) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-04Oht.tdb	2455.51	LIQUID (x(C) 0.18151) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-04Oht.tdb	933.65	LIQUID (x(C) 0) + FCC_A1 (x(C) 2.600e-4) + AL4C3_D71 (x(C) 0.42857)
AlC-19Def.tdb	2879.85	GAS (x(C) 0.17508) + LIQUID (x(C) 0.3884) + GRAPHITE_A9 (x(C) 1)
AlC-19Def.tdb	2879.85	GAS (x(C) 0.17505) + LIQUID (x(C) 0.38834) + GRAPHITE_A9 (x(C) 1)
AlC-19Def.tdb	2410.68	LIQUID (x(C) 0.1954) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-19Def.tdb	2410.68	LIQUID (x(C) 0.19524) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-19Def.tdb	2410.68	LIQUID (x(C) 0.19515) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-19Def.tdb	933.78	LIQUID (x(C) 0) + FCC_A1 (x(C) 4.600e-4) + AL4C3_D71 (x(C) 0.42857)
AlC-21He-3g.tdb	2859.78	GAS (x(C) 0.17737) + LIQUID (x(C) 0.31995) + GRAPHITE_A9 (x(C) 1)
AlC-21He-3g.tdb	2859.78	GAS (x(C) 0.17705) + LIQUID (x(C) 0.31962) + GRAPHITE_A9 (x(C) 1)
AlC-21He-3g.tdb	2424.89	LIQUID (x(C) 0.17878) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-21He-3g.tdb	2424.89	LIQUID (x(C) 0.17873) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-21He-3g.tdb	933.68	LIQUID (x(C) 0) + FCC_A1 (x(C) 3.000e-4) + AL4C3_D71 (x(C) 0.42857)
AlC-91Har.tdb	2453.07	LIQUID (x(C) 0.18792) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-91Har.tdb	2453.07	LIQUID (x(C) 0.1878) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-91Har.tdb	2453.07	LIQUID (x(C) 0.18773) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-91Har.tdb	933.47	FCC_A1 (x(C) 0) + LIQUID (x(C) 0) + AL4C3_D71 (x(C) 0.42857)
AlC-94Qiu.tdb	2434.47	LIQUID (x(C) 0.17083) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-94Qiu.tdb	2434.47	LIQUID (x(C) 0.17073) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-94Qiu.tdb	2434.47	LIQUID (x(C) 0.17064) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-94Qiu.tdb	933.47	FCC_A1 (x(C) 0) + LIQUID (x(C) 0) + AL4C3_D71 (x(C) 0.42857)
AlC-95Gro-LB.tdb	2980.05	GAS (x(C) 0.16126) + LIQUID (x(C) 0.39739) + GRAPHITE_A9 (x(C) 1)
AlC-95Gro-LB.tdb	2980.05	GAS (x(C) 0.16124) + LIQUID (x(C) 0.39737) + GRAPHITE_A9 (x(C) 1)
AlC-95Gro-LB.tdb	2428.93	LIQUID (x(C) 0.20283) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-95Gro-LB.tdb	2428.93	LIQUID (x(C) 0.20265) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-95Gro-LB.tdb	2428.93	LIQUID (x(C) 0.20261) + AL4C3_D71 (x(C) 0.42857) + GRAPHITE_A9 (x(C) 1)
AlC-95Gro-LB.tdb	933.58	LIQUID (x(C) 0) + FCC_A1 (x(C) 1.500e-4) + AL4C3_D71 (x(C) 0.42857)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull AlC-04Oht · CALPHAD hull AlC-19Def · CALPHAD hull AlC-91Har · CALPHAD hull AlC-94Qiu · CALPHAD hull AlC-95Gro-LB

Invariant reactions (literature)

Invariant reactions reported in the literature for the Al–C system (1)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location	Quote
2425	peritectic		experimental	[1] Deffrennes 2019	p. 1 report	The data on the solubility of carbon in liquid Al and on the thermodynamic properties of Al4C3 were assessed, and the peritectic decomposition temperature of Al4C3 was confirmed at 2425±15 K by thermal analysis.

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–C system (25)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Al4C3		-145.8 per mol-atom	298.15	experimental			[1] Deffrennes 2019 cites Berthelot 1901	Table 5, p. 8, row 5 report
Al4C3		-132 per mol-atom	298.15	experimental			[1] Deffrennes 2019 cites Thoburn 1964	Table 5, p. 8, row 4 report
Al4C3		-37.8 per mol-atom	298.15	experimental			[1] Deffrennes 2019 cites Prescott 1928 doi	Table 5, p. 8, row 12 report
Al4C3		-36 per mol-atom	298.15	experimental			[1] Deffrennes 2019 cites Prescott 1927 doi	Table 5, p. 8, row 11 report
Al4C3		-35.3 per mol-atom ± 3.3	298.15	experimental			[1] Deffrennes 2019 cites Meschi 1959 doi	Table 5, p. 8, row 10 report
Al4C3		-35.2 per mol-atom ± 2.5	298.15	experimental			[1] Deffrennes 2019 cites Potter 1966	Table 5, p. 8, row 9 report
Al4C3		-31.9 per mol-atom ± 1.2	298.15	experimental			[1] Deffrennes 2019 cites Mah 1964	Table 5, p. 8, row 3 report
Al4C3	Al4C3	-31.5 kJ/mol-atom	298.15	model	-8.807 (mp-aaaaacjf)	-9.446 (oqmd-646102)	[1] Deffrennes 2019 cites ref. 15	Table 7, p. 14, row 4 report
Al4C3	Al4C3	-31.5 kJ/mol-atom	298.15	model	-8.807 (mp-aaaaacjf)	-9.446 (oqmd-646102)	[2] He 2021 cites Grobner 1995 doi	Table 5, p. 12, row 4 report
Al4C3		-30.6 per mol-atom ± 2.8	298.15	experimental			[1] Deffrennes 2019 cites Plante 1966 doi	Table 5, p. 8, row 8 report
Al4C3		-29.7 per mol-atom ± 0.7	298.15	experimental			[1] Deffrennes 2019 cites King 1964 doi	Table 5, p. 8, row 2 report
Al4C3	Al4C3	-29.6 kJ/mol-atom	298.15	model	-8.807 (mp-aaaaacjf)	-9.446 (oqmd-646102)	[1] Deffrennes 2019 cites ref. 14	Table 7, p. 14, row 3 report
Al4C3	Al4C3	-29.6 kJ/mol-atom	298.15	model	-8.807 (mp-aaaaacjf)	-9.446 (oqmd-646102)	[1] Deffrennes 2019 cites ref. 17	Table 7, p. 14, row 5 report
Al4C3	Al4C3	-29.6 kJ/mol-atom	298.15	model	-8.807 (mp-aaaaacjf)	-9.446 (oqmd-646102)	[2] He 2021 cites Caian 1994	Table 5, p. 12, row 3 report
Al4C3		-29.6 per mol-atom ± 0.3	298.15	experimental			[1] Deffrennes 2019 cites Blachnik 1970 doi	Table 5, p. 8, row 6 report
Al4C3	Al4C3	-28.5 kJ/mol-atom	298.15	model	-8.807 (mp-aaaaacjf)	-9.446 (oqmd-646102)	[2] He 2021	Table 5, p. 12, row 6 report
Al4C3	Al4C3	-27.6 kJ/mol-atom	298.15	model	-8.807 (mp-aaaaacjf)	-9.446 (oqmd-646102)	[1] Deffrennes 2019	Table 7, p. 14, row 6 report
Al4C3	Al4C3	-27.6 kJ/mol-atom	298.15	model	-8.807 (mp-aaaaacjf)	-9.446 (oqmd-646102)	[2] He 2021 cites Deffrennes 2019 doi	Table 5, p. 12, row 5 report
Al4C3		-26.4 kJ/mol-atom	298.15	DFT			[2] He 2021 cites Pisch 2020	Table 5, p. 12, row 1 report
Al4C3		-26.2 per mol-atom	298.15	DFT			[1] Deffrennes 2019 cites Pisch 2019	Table 5, p. 8, row 15 report
Al4C3	Al4C3	-26.2 kJ/mol-atom	298.15	experimental	-8.807 (mp-aaaaacjf)	-9.446 (oqmd-646102)	[1] Deffrennes 2019 cites Saba 1962	Table 7, p. 14, row 2 report
Al4C3		-24.9 per mol-atom ± 2.4	298.15	experimental			[1] Deffrennes 2019 cites Rinehart 1980 doi	Table 5, p. 8, row 13 report
Al4C3		-23.9 per mol-atom ± 1.8	298.15	experimental			[1] Deffrennes 2019 cites Meichsner 1934	Table 5, p. 8, row 1 report
Al4C3		-18.3 per mol-atom ± 1	298.15	experimental			[1] Deffrennes 2019 cites Meschel 1995 doi	Table 5, p. 8, row 7 report
Al4C3		-17.9 per mol-atom ± 2.4	298.15	experimental			[1] Deffrennes 2019 cites Thoburn 1964	Table 5, p. 8, row 14 report

Other properties

Phase transition (10)

Phase transition, Al–C system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	1567 K	1567	other	model	[3] Kumar 1991	p. 7 report	Atemperature maximum (e2 in Fig. 6) at 1567 K (1294 *C) is also predicted on the (L + A14C3 + a) liquidus line at 44.0 at.% AI and 0.35 at.% C.
Phase transition	1601 K	1601	other	model	[3] Kumar 1991	p. 7 report	A temperature maximum (el in Fig. 6) at 1601 K (1328 "C) corresponds to the three-phase equilibrium oflc, liquid of 24.1 at. % AI and 6.6 at. % C, and bcc (a) of 26.2 at.% Aland 1.0 at.% C.
Phase transition	2253 K	2253	peritectic: Long as reported by [2] 64Str alloy: C 0.428571	experimental	[1] Deffrennes 2019 cites ref. 64Str	Table 4, p. 6, row 2 report
Phase transition	2263 K	2263	peritectic: [18] 91Sch alloy: C 0.428571	experimental	[1] Deffrennes 2019 cites ref. 91Sch	Table 4, p. 6, row 6 report
Phase transition	2298 K	2298	peritectic: Searcy as reported by [2] 64Str alloy: C 0.428571	experimental	[1] Deffrennes 2019 cites ref. 64Str	Table 4, p. 6, row 1 report
Phase transition	2323 K	2323	peritectic: [21] 65Gin alloy: C 0.428571	experimental	[1] Deffrennes 2019 cites ref. 65Gin	Table 4, p. 6, row 3 report
Phase transition	2408 K	2408	peritectic: [19] 66Git alloy: C 0.428571	experimental	[1] Deffrennes 2019 cites ref. 66Git	Table 4, p. 6, row 4 report
Phase transition	2428 K	2428	peritectic: [23] 87Ode alloy: C 0.428571	experimental	[1] Deffrennes 2019 cites ref. 87Ode	Table 4, p. 6, row 5 report
Phase transition	4130 K	4130	graphite + liquid	experimental	[2] He 2021	p. 2 report	A lower melting point (4130 K) of graphite was selected in their work compared to the one used in the SGTE compilation of the elements (4765 K) [11] based on the assessment by Gustafson [16].
Phase transition	4765 K	4765	graphite + liquid	model	[2] He 2021 cites Dinsdale 1991 doi	p. 2 report	A lower melting point (4130 K) of graphite was selected in their work compared to the one used in the SGTE compilation of the elements (4765 K) [11] based on the assessment by Gustafson [16].

Heat capacity / entropy / enthalpy (14)

Heat capacity / entropy / enthalpy, Al–C system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Entropy printed: entropy of formation	88.97 J.K-1.mol-1	298.15		model	[1] Deffrennes 2019 cites Pisch 2019	p. 7 report	In fact, the entropy of formation of Al4C3 at 298 K that was found to be 88.97 J.K-1.mol-1 from integrating the ab-initio heat capacity [30] is in excellent agreement with the experimental value of 89.12 J.K-1.mol-1 proposed by Saba and Furukawa [31] and with their fitted value of 88.97 J.K-1.mol-1 [28].
Entropy printed: entropy of formation	89.12 J.K-1.mol-1	298.15		experimental	[1] Deffrennes 2019 cites Saba 1962	p. 7 report	In fact, the entropy of formation of Al4C3 at 298 K that was found to be 88.97 J.K-1.mol-1 from integrating the ab-initio heat capacity [30] is in excellent agreement with the experimental value of 89.12 J.K-1.mol-1 proposed by Saba and Furukawa [31] and with their fitted value of 88.97 J.K-1.mol-1 [28].
Entropy printed: ΔfS°298.15 K	89.1 J/mol (basis unstated)/K	298.15	Al4C3 alloy: C 0.428571	model	[1] Deffrennes 2019	Table 7, p. 14, row 6 report
Entropy printed: Standard entropy of formation at 298.15 K	89.1 J/mol (basis unstated)/K	298.15	Al4C3 alloy: C 0.428571	model	[2] He 2021 cites Deffrennes 2019 doi	Table 5, p. 12, row 5 report
Entropy printed: ΔfS°298.15 K	87.4 J/mol (basis unstated)/K	298.15	Al4C3 alloy: C 0.428571	model	[1] Deffrennes 2019 cites ref. 14	Table 7, p. 14, row 3 report
Entropy printed: ΔfS°298.15 K	87 J/mol (basis unstated)/K	298.15	Al4C3 alloy: C 0.428571	model	[1] Deffrennes 2019 cites ref. 17	Table 7, p. 14, row 5 report
Entropy printed: Standard entropy of formation at 298.15 K	88.89 J/mol (basis unstated)/K	298.15	Al4C3 alloy: C 0.428571	model	[2] He 2021	Table 5, p. 12, row 6 report
Entropy printed: ΔfS°298.15 K	89 J/mol (basis unstated)/K	298.15	Al4C3 alloy: C 0.428571	model	[1] Deffrennes 2019 cites ref. 15	Table 7, p. 14, row 4 report
Entropy printed: Standard entropy of formation at 298.15 K	89.12 J/mol (basis unstated)/K	298.15	Al4C3 alloy: C 0.428571	DFT	[2] He 2021 cites Pisch 2020	Table 5, p. 12, row 1 report
Entropy printed: ΔfS°298.15 K	88.9 J/mol (basis unstated)/K	298.15	Al4C3 alloy: C 0.428571	experimental	[1] Deffrennes 2019 cites Saba 1962	Table 7, p. 14, row 2 report
Entropy printed: Standard entropy of formation at 298.15 K	87.4 J/mol (basis unstated)/K	298.15	Al4C3 alloy: C 0.428571	model	[2] He 2021 cites Caian 1994	Table 5, p. 12, row 3 report
Entropy printed: Standard entropy of formation at 298.15 K	88.97 J/mol (basis unstated)/K	298.15	Al4C3 alloy: C 0.428571	experimental	[2] He 2021 cites Saba 1962	Table 5, p. 12, row 2 report
Entropy printed: ΔfS°298.15 K	89.1 J/mol (basis unstated)/K	298.15	Al4C3 alloy: C 0.428571	experimental	[1] Deffrennes 2019 cites Saba 1962	Table 7, p. 14, row 1 report
Entropy printed: Standard entropy of formation at 298.15 K	89 J/mol (basis unstated)/K	298.15	Al4C3 alloy: C 0.428571	model	[2] He 2021 cites Grobner 1995 doi	Table 5, p. 12, row 4 report

Activity / EMF / Gibbs energy (4)

Activity / EMF / Gibbs energy, Al–C system
Property	Value	T (K)	Class	Source	Location	Quote
Gibbs energy printed: Gibbs energy of formation	-88 kJ per formula unit	1873	model	[3] Kumar 1991	p. 7 report	The value of-88.0 kJ per formula unit obtained for the Gibbs energy of formation of Al,tC3 at 1873 K agrees well with the value-88.8 • 11.2 kJ obtained by [77Cho].
Gibbs energy printed: Gibbs energy of formation	-88.8 unspecified ± 11.2	1873	experimental	[3] Kumar 1991 cites Choudary 1977 doi	p. 7 report	The value of-88.0 kJ per formula unit obtained for the Gibbs energy of formation of Al,tC3 at 1873 K agrees well with the value-88.8 • 11.2 kJ obtained by [77Cho].
Gibbs energy printed: standard Gibbs energy of formation	-88.8 kJ mo1-1	1873	experimental	[4] Qiu 1994 cites Choudary 1977 doi	p. 4 report	The calculated value at 1873 K is - 72.919 kJ mol- 1 which is less negative than the value -88.8 kJ mo1-1 derived from A1 activity measured in the Fe-AI melt at the same temperature by Choudary and Belton [25].
Gibbs energy printed: standard Gibbs energy of formation	-72.919 kJ mol- 1	1873	model	[4] Qiu 1994	p. 4 report	The calculated value at 1873 K is - 72.919 kJ mol- 1 which is less negative than the value -88.8 kJ mo1-1 derived from A1 activity measured in the Fe-AI melt at the same temperature by Choudary and Belton [25].

Sources

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

G. Deffrennes, B. Gardiola, M. Allam, D. Chaussende, A. Pisch, J. Andrieux et al., Critical assessment and thermodynamic modeling of the Al–C system, Calphad 66, 101648 (2019). doi:10.1016/j.calphad.2019.101648
Zhangting He, Bartek Kaplan, Huahai Mao, Malin Selleby, The third generation Calphad description of Al–C including revisions of pure Al and C, Calphad 72, 102250 (2021). doi:10.1016/j.calphad.2021.102250
K. C. Hari Kumar, V. Raghavan, A Thermodynamic Analysis of the Al-C-Fe System, JPE 12, 275-286 (1991). doi:10.1007/bf02649916
Caian Qiu, Rudi Metselaar, Solubility of carbon in liquid Al and stability of Al4C3, Journal of Alloys and Compounds 216, 55-60 (1994). doi:10.1016/0925-8388(94)91042-1

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}
}