Ca–O–Si system

111 accepted literature values from 1 paper(s) (experimental 51, model 49, DFT 7, unspecified 4); 0 calculated phase diagram(s).

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Accepted values by evidence class
Evidence class	Values
experimental	51
model	49
DFT	7
unspecified	4

Accepted values by property group
Property group	Values
invariant reaction	26
phase transition	2
formation	26
heat capacity / entropy / enthalpy	53
activity / EMF / Gibbs energy	4

Invariant reactions (literature)

Invariant reactions reported in the literature for the Ca–O–Si system (26)
T (K)	Reaction / phases	Class	Source	Location
2430	peritectic: Liquid + CaO -> Ca3SiO5	model	[1] Abdul 2023	Table 9, p. 9, row 13 report
2423	peritectic: Liquid + CaO -> Ca3SiO5	experimental	[1] Abdul 2023 cites Levin 1964	Table 9, p. 9, row 14 report
2403	congruent melting: α-Ca2SiO4	experimental	[1] Abdul 2023 cites Rankin 1915 doi	Table 9, p. 9, row 24 report
2371	congruent melting: α-Ca2SiO4	model	[1] Abdul 2023	Table 9, p. 9, row 23 report
2323	eutectic: Liquid -> Ca3SiO5 + α-Ca2SiO4	experimental	[1] Abdul 2023 cites Levin 1964	Table 9, p. 9, row 16 report
2300	eutectic: Liquid -> Ca3SiO5 + α-Ca2SiO4	model	[1] Abdul 2023	Table 9, p. 9, row 15 report
1840	congruent melting: cyclo-CaSiO3	model	[1] Abdul 2023	Table 9, p. 9, row 25 report
1817	congruent melting: cyclo-CaSiO3	experimental	[1] Abdul 2023	Table 9, p. 9, row 26 report
1741	peritectic: Liquid + α-Ca2SiO4 -> Ca3Si2O7	model	[1] Abdul 2023	Table 9, p. 9, row 17 report
1737	peritectic: Liquid + α-Ca2SiO4 -> Ca3Si2O7	experimental	[1] Abdul 2023 cites Levin 1964	Table 9, p. 9, row 18 report
1734	eutectic: Liquid -> Ca3Si2O7 + CaSiO3	model	[1] Abdul 2023	Table 9, p. 9, row 19 report
1733	eutectic: Liquid -> Ca3Si2O7 + CaSiO3	experimental	[1] Abdul 2023 cites Levin 1964	Table 9, p. 9, row 20 report
1710	other: α′-Ca2SiO4 -> α-Ca2SiO4	model	[1] Abdul 2023	Table 9, p. 9, row 5 report
1710	other: α′-Ca2SiO4 -> α-Ca2SiO4	experimental	[1] Abdul 2023 cites Bredig 1950	Table 9, p. 9, row 6 report
1709	eutectic: Liquid -> SiO2 + CaSiO3	experimental	[1] Abdul 2023 cites Levin 1964	Table 9, p. 9, row 22 report
1700	eutectic: Liquid -> SiO2 + CaSiO3	model	[1] Abdul 2023	Table 9, p. 9, row 21 report
1398	other: Wollastonite -> cyclo-CaSiO3	experimental	[1] Abdul 2023 cites Voronko 2002	Table 9, p. 9, row 8 report
1397	other: Wollastonite -> cyclo-CaSiO3	model	[1] Abdul 2023	Table 9, p. 9, row 7 report
1323	other: Monoclinic -> rhombohedral-Ca3SiO5	experimental	[1] Abdul 2023 cites Bigare	Table 9, p. 9, row 12 report
1317	other: Monoclinic -> rhombohedral-Ca3SiO5	model	[1] Abdul 2023	Table 9, p. 9, row 11 report
1254	other: Triclinic -> monoclinic-Ca3SiO5	model	[1] Abdul 2023	Table 9, p. 9, row 9 report
1253	other: Triclinic -> monoclinic-Ca3SiO5	experimental	[1] Abdul 2023 cites Bigare	Table 9, p. 9, row 10 report
1120	other: γ-Ca2SiO4 -> α′-Ca2SiO4	model	[1] Abdul 2023	Table 9, p. 9, row 1 report
1120	other: γ-Ca2SiO4 -> α′-Ca2SiO4	experimental	[1] Abdul 2023 cites Bredig 1950	Table 9, p. 9, row 2 report
970	other: β-Ca2SiO4 -> α′-Ca2SiO4	model	[1] Abdul 2023	Table 9, p. 9, row 3 report
970	other: β-Ca2SiO4 -> α′-Ca2SiO4	experimental	[1] Abdul 2023 cites Bredig 1950	Table 9, p. 9, row 4 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, Ca–O–Si system (19)
Phase	Value	T (K)	Class	Source	Location
Cyclowollastonite-CaSiO3	-1627 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 10 report
Cyclowollastonite-CaSiO3	-1627 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023	Table 7, p. 8, row 9 report
Monoclinic-Ca3SiO5	-2932 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023	Table 7, p. 8, row 1 report
Rankinite-Ca3Si2O7	-3973 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 6 report
Rankinite-Ca3Si2O7	-3951 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023	Table 7, p. 8, row 5 report
Rhombohedral-Ca3SiO5	-2932 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023	Table 7, p. 8, row 4 report
Triclinic-Ca3SiO5	-2933 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 3 report
Triclinic-Ca3SiO5	-2933 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023	Table 7, p. 8, row 2 report
Wollastonite-CaSiO3	-1634 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 8 report
Wollastonite-CaSiO3	-1634 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023	Table 7, p. 8, row 7 report
wollastonite-CaSiO3	-1634.32 kJ/mol (basis unstated) ± 2.71	298.15	unspecified	[1] Abdul 2023 cites Grevel 2022	Table A.2, p. 13, row 21 report
α-Ca2SiO4	-2548 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 12 report
α-Ca2SiO4	-2293 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023	Table 7, p. 8, row 11 report
α′-Ca2SiO4	-2304 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023	Table 7, p. 8, row 13 report
α′-Ca2SiO4	-2198 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 14 report
β-Ca2SiO4	-2307 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023	Table 7, p. 8, row 15 report
β-Ca2SiO4	-2306 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 16 report
γ-Ca2SiO4	-2316 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023	Table 7, p. 8, row 17 report
γ-Ca2SiO4	-2316 kJ/mol (basis unstated)	298.15	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 18 report

Other properties

Phase transition (2)

Phase transition, Ca–O–Si system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	1295.15 K	1295.15	polymorphic: Kilch → rank alloy: O 0.583333, Si 0.166667	unspecified	[1] Abdul 2023 cites Hanic 1987	Table 2, p. 2, row 20 report
Phase transition	1398.15 K	1398.15	polymorphic: Woll → p-woll alloy: O 0.6, Si 0.2	experimental	[1] Abdul 2023 cites Voronko 2002	Table 2, p. 2, row 21 report

Formation (7)

Formation, Ca–O–Si system
Property	Value	Phases / composition	Class	Source	Location
hm from compounds printed: Efor(0 K)	-17.6667 kJ/mol-atom	Ca3Si2O7 alloy: O 0.583333, Si 0.166667	DFT	[1] Abdul 2023	Table 6, p. 8, row 5 report
hm from compounds printed: Efor(0 K)	-15.5 kJ/mol-atom	CaSiO3-cyclowollastonite alloy: O 0.6, Si 0.2	DFT	[1] Abdul 2023	Table 6, p. 8, row 7 report
hm from compounds printed: Efor(0 K)	-17.14 kJ/mol-atom	CaSiO3-wollastonite alloy: O 0.6, Si 0.2	DFT	[1] Abdul 2023	Table 6, p. 8, row 6 report
hm from compounds printed: Efor	-13.1 kJ/mol-atom	Monoclinic-Ca3SiO5 alloy: O 0.555556, Si 0.111111	DFT	[1] Abdul 2023	Table 6, p. 8, row 1 report
hm from compounds printed: Efor	-17.4857 kJ/mol-atom	α′-Ca2SiO4 alloy: O 0.571429, Si 0.142857	DFT	[1] Abdul 2023	Table 6, p. 8, row 4 report
hm from compounds printed: Efor	-17.8286 kJ/mol-atom	β-Ca2SiO4 alloy: O 0.571429, Si 0.142857	DFT	[1] Abdul 2023	Table 6, p. 8, row 3 report
hm from compounds printed: Efor	-18.7429 kJ/mol-atom	γ-Ca2SiO4 alloy: O 0.571429, Si 0.142857	DFT	[1] Abdul 2023	Table 6, p. 8, row 2 report

Heat capacity / entropy / enthalpy (53)

Heat capacity / entropy / enthalpy, Ca–O–Si system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy printed: S298	87.2 J/mol (basis unstated)/K	298.15	Cyclowollastonite-CaSiO3	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 10 report
Entropy printed: S298	87.6 J/mol (basis unstated)/K	298.15	Cyclowollastonite-CaSiO3	model	[1] Abdul 2023	Table 7, p. 8, row 9 report
Entropy printed: S298	166.4 J/mol (basis unstated)/K	298.15	Monoclinic-Ca3SiO5	model	[1] Abdul 2023	Table 7, p. 8, row 1 report
Entropy printed: S298	210.6 J/mol (basis unstated)/K	298.15	Rankinite-Ca3Si2O7	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 6 report
Entropy printed: S298	207.6 J/mol (basis unstated)/K	298.15	Rankinite-Ca3Si2O7	model	[1] Abdul 2023	Table 7, p. 8, row 5 report
Entropy printed: S298	166.4 J/mol (basis unstated)/K	298.15	Rhombohedral-Ca3SiO5	model	[1] Abdul 2023	Table 7, p. 8, row 4 report
Entropy printed: S298	168.6 J/mol (basis unstated)/K	298.15	Triclinic-Ca3SiO5	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 3 report
Entropy printed: S298	166.5 J/mol (basis unstated)/K	298.15	Triclinic-Ca3SiO5	model	[1] Abdul 2023	Table 7, p. 8, row 2 report
Entropy printed: S298	81 J/mol (basis unstated)/K	298.15	Wollastonite-CaSiO3	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 8 report
Entropy printed: S298	79.6 J/mol (basis unstated)/K	298.15	Wollastonite-CaSiO3	model	[1] Abdul 2023	Table 7, p. 8, row 7 report
Entropy printed: S298	132.7 J/mol (basis unstated)/K	298.15	α-Ca2SiO4	model	[1] Abdul 2023	Table 7, p. 8, row 11 report
Entropy printed: S298	84.91 J/mol (basis unstated)/K	298.15	α-Ca2SiO4	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 12 report
Entropy printed: S298	130.4 J/mol (basis unstated)/K	298.15	α′-Ca2SiO4	model	[1] Abdul 2023	Table 7, p. 8, row 13 report
Entropy printed: S298	116 J/mol (basis unstated)/K	298.15	α′-Ca2SiO4	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 14 report
Entropy printed: S298	126.7 J/mol (basis unstated)/K	298.15	β-Ca2SiO4	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 16 report
Entropy printed: S298	126.1 J/mol (basis unstated)/K	298.15	β-Ca2SiO4	model	[1] Abdul 2023	Table 7, p. 8, row 15 report
Entropy printed: S298	119 J/mol (basis unstated)/K	298.15	γ-Ca2SiO4	model	[1] Abdul 2023	Table 7, p. 8, row 17 report
Entropy printed: S298	120.5 J/mol (basis unstated)/K	298.15	γ-Ca2SiO4	model	[1] Abdul 2023 cites Haas 1981 doi	Table 7, p. 8, row 18 report
Heat capacity printed: Cp	0.192 J/mol (basis unstated)/K ± 0.02	156.805	wollastonite-CaSiO3 alloy: O 0.6, Si 0.2	experimental	[1] Abdul 2023 cites Wagner 1932 doi	Table A.2, p. 13, row 15 report
Heat capacity printed: Cp	29.6 J/mol (basis unstated)/K ± 0.28	175.8	rankinite-Ca3Si2O7 alloy: O 0.583333, Si 0.166667	experimental	[1] Abdul 2023 cites King 1957 doi	Table A.2, p. 13, row 9 report
Heat capacity printed: Cp	97.4 J/mol (basis unstated)/K ± 1	773.2	wollastonite-CaSiO3 alloy: O 0.6, Si 0.2	experimental	[1] Abdul 2023 cites Wagner 1932 doi	Table A.2, p. 13, row 16 report
Heat capacity printed: Cp	0.22 J/mol (basis unstated)/K ± 0.01	791.95	cyclowollastonite-CaSiO3 alloy: O 0.6, Si 0.2	experimental	[1] Abdul 2023 cites Wagner 1932 doi	Table A.2, p. 13, row 23 report
Heat capacity printed: Cp	95.81 J/mol (basis unstated)/K ± 1	973.2	cyclowollastonite-CaSiO3 alloy: O 0.6, Si 0.2	experimental	[1] Abdul 2023 cites Wagner 1932 doi	Table A.2, p. 13, row 24 report
Heat content printed: HT-H298K	147433 J mol−1 K−1 ± 3570.3	872.45	Ca3Si2O7 (Rankinite) alloy: O 0.583333, Si 0.166667	experimental	[1] Abdul 2023	Table 3, p. 7, row 2 report
Heat content printed: HT-H298K	147433 J mol-1 K-1 ± 3570.3	872.45	Rankinite	experimental	[1] Abdul 2023	Table 3, p. 7, row 2 report
Heat content printed: HT-H298K	108431 J mol-1 ± 3617.9	972.86	γ-Ca2SiO4 alloy: O 0.571429, Si 0.142857	experimental	[1] Abdul 2023	Table 4, p. 7, row 2 report
Heat content printed: HT-H298K	108431 J mol^-1 ± 3617.9	972.86	γ-Ca2SiO4 alloy: O 0.571429, Si 0.142857	experimental	[1] Abdul 2023	Table 4, p. 7, row 2 report
Heat content printed: HT-H298K	180037 J mol−1 K−1 ± 4109.9	972.95	Ca3Si2O7 (Rankinite) alloy: O 0.583333, Si 0.166667	experimental	[1] Abdul 2023	Table 3, p. 7, row 3 report
Heat content printed: HT-H298K	180037 J mol-1 K-1 ± 4109.9	972.95	Rankinite	experimental	[1] Abdul 2023	Table 3, p. 7, row 3 report
Heat content printed: HT-H298K	123307 J mol-1 ± 3251.5	1072.09	γ-Ca2SiO4 alloy: O 0.571429, Si 0.142857	experimental	[1] Abdul 2023	Table 4, p. 7, row 3 report
Heat content printed: HT-H298K	123307 J mol^-1 ± 3251.5	1072.09	γ-Ca2SiO4 alloy: O 0.571429, Si 0.142857	experimental	[1] Abdul 2023	Table 4, p. 7, row 3 report
Heat content printed: HT-H298K	206086 J mol−1 K−1 ± 5517.3	1072.35	Ca3Si2O7 (Rankinite) alloy: O 0.583333, Si 0.166667	experimental	[1] Abdul 2023	Table 3, p. 7, row 4 report
Heat content printed: HT-H298K	206086 J mol-1 K-1 ± 5517.3	1072.35	Rankinite	experimental	[1] Abdul 2023	Table 3, p. 7, row 4 report
Heat content printed: HT-H298K	148802 J mol-1 ± 3879.2	1171.39	α′-Ca2SiO4 alloy: O 0.571429, Si 0.142857	experimental	[1] Abdul 2023	Table 4, p. 7, row 4 report
Heat content printed: HT-H298K	148802 J mol^-1 ± 3879.2	1171.39	α′-Ca2SiO4 alloy: O 0.571429, Si 0.142857	experimental	[1] Abdul 2023	Table 4, p. 7, row 4 report
Heat content printed: HT - H298.15	148229 J mol^-1 ± 3574.7	1172.05	rankinite-Ca3Si2O7 alloy: O 0.583333, Si 0.166667	unspecified	[1] Abdul 2023	Table A.2, p. 13, row 10 report
Heat content printed: HT-H298K	233440 J mol−1 K−1 ± 6032.1	1172.15	Ca3Si2O7 (Rankinite) alloy: O 0.583333, Si 0.166667	experimental	[1] Abdul 2023	Table 3, p. 7, row 5 report
Heat content printed: HT-H298K	233440 J mol-1 K-1 ± 6032.1	1172.15	Rankinite	experimental	[1] Abdul 2023	Table 3, p. 7, row 5 report
Heat content printed: HT-H298K	171305 J mol-1 ± 4185.5	1271.67	α′-Ca2SiO4 alloy: O 0.571429, Si 0.142857	experimental	[1] Abdul 2023	Table 4, p. 7, row 5 report
Heat content printed: HT-H298K	171305 J mol^-1 ± 4185.5	1271.67	α′-Ca2SiO4 alloy: O 0.571429, Si 0.142857	experimental	[1] Abdul 2023	Table 4, p. 7, row 5 report
Heat content printed: HT-H298K	264147 J mol−1 K−1 ± 6983.6	1271.95	Ca3Si2O7 (Rankinite) alloy: O 0.583333, Si 0.166667	experimental	[1] Abdul 2023	Table 3, p. 7, row 6 report
Heat content printed: HT-H298K	264147 J mol-1 K-1 ± 6983.6	1271.95	Rankinite	experimental	[1] Abdul 2023	Table 3, p. 7, row 6 report
Heat content printed: HT-H298K	293304 J mol−1 K−1 ± 7690.3	1370.85	Ca3Si2O7 (Rankinite) alloy: O 0.583333, Si 0.166667	experimental	[1] Abdul 2023	Table 3, p. 7, row 7 report
Heat content printed: HT-H298K	293304 J mol-1 K-1 ± 7690.3	1370.85	Rankinite	experimental	[1] Abdul 2023	Table 3, p. 7, row 7 report
Heat content printed: HT-H298K	187890 J mol^-1 ± 4479.1	1371.05	α′-Ca2SiO4 alloy: O 0.571429, Si 0.142857	experimental	[1] Abdul 2023	Table 4, p. 7, row 6 report
Heat content printed: HT-H298K	187890 J mol-1 ± 4479.1	1371.05	α′-Ca2SiO4 alloy: O 0.571429, Si 0.142857	experimental	[1] Abdul 2023	Table 4, p. 7, row 6 report
Heat content printed: HT-H298K	212360 J mol-1 ± 6444.6	1471.05	α′-Ca2SiO4 alloy: O 0.571429, Si 0.142857	experimental	[1] Abdul 2023	Table 4, p. 7, row 7 report
Heat content printed: HT-H298K	212360 J mol^-1 ± 6444.6	1471.05	α′-Ca2SiO4 alloy: O 0.571429, Si 0.142857	experimental	[1] Abdul 2023	Table 4, p. 7, row 7 report
Heat content printed: HT-H298K	322841 J mol−1 K−1 ± 6913.1	1471.65	Ca3Si2O7 (Rankinite) alloy: O 0.583333, Si 0.166667	experimental	[1] Abdul 2023	Table 3, p. 7, row 8 report
Heat content printed: HT-H298K	322841 J mol-1 K-1 ± 6913.1	1471.65	Rankinite	experimental	[1] Abdul 2023	Table 3, p. 7, row 8 report
heat content from base t printed: HT - H293.15	28503.1 J mol^-1 ± 761	973.15	wollastonite-CaSiO3 alloy: O 0.6, Si 0.2	experimental	[1] Abdul 2023 cites H 1933	Table A.2, p. 13, row 17 report
heat content from base t printed: HT - H273.15	57803 J mol^-1 ± 2000	1152.4	cyclowollastonite-CaSiO3 alloy: O 0.6, Si 0.2	unspecified	[1] Abdul 2023 cites Richet 1991 doi	Table A.2, p. 13, row 25 report
heat content from base t printed: HT - H273.15	92588 J mol^-1 ± 2000	1454.4	cyclowollastonite-CaSiO3 alloy: O 0.6, Si 0.2	experimental	[1] Abdul 2023 cites Courtial 2000 doi	Table A.2, p. 13, row 26 report

Activity / EMF / Gibbs energy (4)

Activity / EMF / Gibbs energy, Ca–O–Si system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Gibbs energy printed: ΔG	10999.3 J mol^-1 ± 771.88	953	UNKNOWN	experimental	[1] Abdul 2023 cites Benz 1961 doi	Table A.2, p. 13, row 11 report
Gibbs energy printed: ΔG	80082.8 J mol^-1 ± 1157.82	973.15	UNKNOWN	experimental	[1] Abdul 2023 cites Benz 1961 doi	Table A.2, p. 13, row 29 report
Gibbs energy printed: ΔG	88380.6 J mol^-1 ± 771.88	1023.15	UNKNOWN	experimental	[1] Abdul 2023 cites Benz 1961 doi	Table A.2, p. 13, row 22 report
Gibbs energy printed: ΔG	11192.3 J mol^-1 ± 771.88	1057	UNKNOWN	experimental	[1] Abdul 2023 cites Benz 1961 doi	Table A.2, p. 13, row 12 report

Sources

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

Wahab Abdul, Chancel Mawalala, Alexander Pisch, Marcus Nigel Bannerman, CaO-SiO2 assessment using 3rd generation CALPHAD models, Cement and Concrete Research 173, 107309 (2023). doi:10.1016/j.cemconres.2023.107309

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 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_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}
}