Ti system

157 accepted literature values from 17 paper(s) (experimental 21, model 64, DFT 45, unspecified 27); 0 calculated phase diagram(s).

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Accepted values by evidence class
Evidence class	Values
experimental	21
model	64
DFT	45
unspecified	27

Accepted values by property group
Property group	Values
phase transition	10
formation	11
mixing / partial	3
heat capacity / entropy / enthalpy	57
crystal structure	76

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, Ti system (9)
Phase	Value	T (K)	Class	Source	Location
C14 Laves Ti2Ti	25.227 kJ/mol-atom	298.15	model	[1] Zheng 2022	Table 4, p. 6, row 17 report
C14 Laves Ti2Ti	25.242 kJ/mol-atom	0	DFT	[1] Zheng 2022	Table 4, p. 6, row 15 report
C14 Laves Ti2Ti	27.157 kJ/mol-atom	0	DFT	[1] Zheng 2022 cites Khan 2016 doi	Table 4, p. 6, row 16 report
C14 Laves Ti2Ti	27.157 kJ/mol-atom	298.15	model	[1] Zheng 2022 cites Khan 2016 doi	Table 4, p. 6, row 18 report
Laves C14	5 kJ/mol (basis unstated)		model	[2] Liang 2024 cites De 2009 doi	Table 4, p. 9, row 17 report
Laves C14	27.4026 kJ/mol (basis unstated)	0	DFT	[2] Liang 2024	Table 4, p. 9, row 16 report
Laves C14	27.4026 kJ/mol-atom		model	[2] Liang 2024	Table 2, p. 6, row 37 report
Laves C14	27.4026 kJ/mol-atom	0	DFT	[2] Liang 2024	Table 2, p. 6, row 36 report
Laves C14	27.4026 kJ/mol (basis unstated)	0	DFT	[2] Liang 2024	Table 4, p. 9, row 18 report

Other properties

Phase transition (10)

Phase transition, Ti system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Phase transition	1155 K	1155	Solubility of B in (αTi)	experimental	[3] Ma 2004 cites Ogden 1951	Table 1, p. 2, row 1 report
Phase transition	1155 K	1155	polymorphic: βTi -> αTi βTi: Ti 1; αTi: Ti 1	model	[4] Bittermann 1997 cites Baetzner 1994	Table 4, p. 5, row 9 report
Phase transition	1155.15 K	1155.15	polymorphic: (βTi) -> (αTi) (βTi): Ti 1	model	[5] Murray 1986	Table 1, p. 2, row 4 report
Phase transition	1156 K	1156	polymorphic: (βTi) -> (αTi) (αTi):	model	[3] Ma 2004	Table 5, p. 7, row 8 report
Phase transition	1159 K	1159	Solubility of B in (αTi)	experimental	[3] Ma 2004 cites Palty 1954	Table 1, p. 2, row 2 report
Phase transition	1159 K	1159	polymorphic: hcp-Ti alloy: Ti 1	model	[6] Mattern 2014 cites Murray 1987	Table 1, p. 3, row 4 report
Phase transition	1813 K	1813	Solubility of B in (βTi)	experimental	[3] Ma 2004 cites Rudy 1966	Table 1, p. 2, row 3 report
Phase transition	1941 K	1941	congruent melting: L -> βTi L: Ti 1; βTi: Ti 1	model	[4] Bittermann 1997 cites Baetzner 1994	Table 4, p. 5, row 6 report
Phase transition	1943 K	1943	Solubility of B in (βTi)	experimental	[3] Ma 2004 cites Palty 1954	Table 1, p. 2, row 4 report
Phase transition	1943 K	1943	congruent transformation: bcc-Ti alloy: Ti 1	model	[6] Mattern 2014 cites Murray 1987	Table 1, p. 3, row 3 report

Formation (2)

Formation, Ti system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
end member formation energy printed: ΔEf	74.45 kJ/mol-atom	0	(Ti)0.5(Va)0.5(Va)3 / (Va)0.5(Ti)0.5(Va)3 alloy: Ti 1	DFT	[7] Santhy 2015	Table 5, p. 4, row 14 report
end member formation energy printed: ΔEf	4.77 kJ/mol-atom	0	(Ti)3(Ti)1 alloy: Ti 1	DFT	[7] Santhy 2015	Table 5, p. 4, row 11 report

Mixing / partial (3)

Mixing / partial, Ti system
Property	Value	Phases / composition	Class	Source	Location
Enthalpy of mixing printed: ΔH	0 kJ/mol (basis unstated)	Bcc alloy: Ti 1	DFT	[8] Shang 2007	Table 2, p. 2, row 20 report
Enthalpy of mixing printed: ΔH	0 kJ/mol (basis unstated)	Fcc alloy: Ti 1	DFT	[8] Shang 2007	Table 2, p. 2, row 25 report
Enthalpy of mixing printed: ΔH	0 kJ/mol (basis unstated)	Hcp alloy: Ti 1	DFT	[8] Shang 2007	Table 2, p. 2, row 30 report

Heat capacity / entropy / enthalpy (57)

Heat capacity / entropy / enthalpy, Ti system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Entropy printed: ΔShcp-bcc	3.615 J/(mol·K)		Ti	model	[9] Hu 2020	Table 3, p. 4, row 22 report
Entropy printed: ΔS hcp-bcc	3.58 J/(mol·K)		Ti	experimental	[9] Hu 2020 cites Cezairliyan 1978 doi	Table 3, p. 4, row 1 report
Entropy printed: ΔS hcp-bcc	3.576 J/(mol·K) ± 0.172		Ti	model	[9] Hu 2020 cites Desai 1987 doi	Table 3, p. 4, row 19 report
Entropy printed: ΔShcp-bcc	3.578 J/(mol·K)		Ti	model	[9] Hu 2020 cites and Desai [35] 1941	Table 3, p. 4, row 20 report
Entropy printed: ΔShcp-bcc	3.6104 J/(mol·K)		Ti	model	[9] Hu 2020 cites Dinsdale 1991 doi	Table 3, p. 4, row 21 report
Entropy printed: S°(298.15 K)	30.6 J/mol (basis unstated)/K	298.15	Ti	model	[9] Hu 2020	Table 3, p. 4, row 22 report
Entropy printed: S°(298.15 K)	30.686 J/mol (basis unstated)/K ± 0.08	298.15	Ti	model	[9] Hu 2020 cites Desai 1987 doi	Table 3, p. 4, row 19 report
Entropy printed: S°(298.15 K)	30.699 J/mol (basis unstated)/K	298.15	Ti	experimental	[9] Hu 2020 cites Kothen 1952	Table 3, p. 4, row 7 report
Entropy printed: S°(298.15 K)	30.759 J/mol (basis unstated)/K ± 0.2	298.15	Ti	model	[9] Hu 2020 cites and Desai [35] 1941	Table 3, p. 4, row 20 report
Entropy printed: S°(298.15 K)	30.72 J/mol (basis unstated)/K	298.15	Ti	model	[9] Hu 2020 cites Dinsdale 1991 doi	Table 3, p. 4, row 21 report
Heat capacity printed: γ	3.51 mJ/mol⋅K		bcc	model	[9] Hu 2020	Table 2, p. 3, row 24 report
Heat capacity printed: γ	2.2 mJ/mol⋅K		fcc	model	[9] Hu 2020	Table 2, p. 3, row 27 report
Heat capacity printed: γ	3.32 mJ/mol⋅K ± 0.02		hcp	experimental	[9] Hu 2020 cites Agarwal 1974 doi	Table 2, p. 3, row 2 report
Heat capacity printed: γ	3.3 mJ/mol⋅K		hcp	model	[9] Hu 2020 cites Heiniger 1964 doi	Table 2, p. 3, row 6 report
Heat capacity printed: γ	3.36 mJ/mol⋅K		hcp	model	[9] Hu 2020 cites Collings 1970 doi	Table 2, p. 3, row 9 report
Heat capacity printed: γ	3.305 mJ/mol⋅K		hcp	experimental	[9] Hu 2020 cites Hake 1964 doi	Table 2, p. 3, row 5 report
Heat capacity printed: γ	3.32 mJ/mol⋅K		hcp	experimental	[9] Hu 2020 cites Collings 1970 doi	Table 2, p. 3, row 8 report
Heat capacity printed: γ	3.349 mJ/mol⋅K		hcp	model	[9] Hu 2020 cites Fisher 1964 doi	Table 2, p. 3, row 11 report
Heat capacity printed: γ	3.38 mJ/mol⋅K		hcp	experimental	[9] Hu 2020 cites Aven 1956	Table 2, p. 3, row 4 report
Heat capacity printed: γ	3.11 mJ/mol⋅K		hcp	model	[9] Hu 2020 cites Agarwal 1974 doi	Table 2, p. 3, row 1 report
Heat capacity printed: γ	7.77 mJ/mol⋅K		hcp	model	[9] Hu 2020	Table 2, p. 3, row 18 report
Heat capacity printed: γ	3.332 mJ/mol⋅K ± 0.02		hcp	experimental	[9] Hu 2020 cites Desai 1987 doi	Table 2, p. 3, row 12 report
Heat capacity printed: γ	3.31 mJ/mol⋅K ± 0.03		hcp	model	[9] Hu 2020 cites Dummer 1965 doi	Table 2, p. 3, row 10 report
Heat capacity printed: γ	3.346 mJ/mol⋅K		hcp	experimental	[9] Hu 2020 cites Kneip 1963 doi	Table 2, p. 3, row 3 report
Heat capacity printed: γ	3.56 mJ/mol⋅K		hcp	experimental	[9] Hu 2020 cites Wolcott 1957 doi	Table 2, p. 3, row 7 report
Heat capacity printed: γ	3.35 mJ/mol⋅K		hcp	model	[9] Hu 2020 cites Kittel 1996	Table 2, p. 3, row 13 report
Heat capacity printed: γ	4.01 mJ/mol⋅K		liquid-amorphous	model	[9] Hu 2020	Table 2, p. 3, row 35 report
Heat capacity printed: γ	3.51 mJ/mol⋅K		ω	model	[9] Hu 2020	Table 2, p. 3, row 32 report
Heat content printed: H°(298.15 K)–H°(0 K)	4824 J/mol	298.15	Ti	model	[9] Hu 2020	Table 3, p. 4, row 22 report
Heat content printed: H°(298.15 K)–H°(0 K)	4822 J/mol ± 10	298.15	Ti	model	[9] Hu 2020 cites Desai 1987 doi	Table 3, p. 4, row 19 report
Heat content printed: H°(298.15 K)–H°(0 K)	4813 J/mol	298.15	Ti	experimental	[9] Hu 2020 cites Kothen 1952	Table 3, p. 4, row 7 report
Heat content printed: H°(298.15 K)–H°(0 K)	4830 J/mol	298.15	Ti	model	[9] Hu 2020 cites and Desai [35] 1941	Table 3, p. 4, row 20 report
Heat content printed: H°(298.15 K)–H°(0 K)	4824 J/mol	298.15	Ti	model	[9] Hu 2020 cites Dinsdale 1991 doi	Table 3, p. 4, row 21 report
hm lattice stability printed: ΔEbcc-hcp	10.295 kJ/mol (basis unstated)	0	bcc	DFT	[9] Hu 2020 cites Wang 2004 doi	Table 4, p. 5, row 2 report
hm lattice stability printed: ΔEbcc-hcp	10.517 kJ/mol (basis unstated)	0	bcc	model	[9] Hu 2020 cites Hu 2010 doi	Table 4, p. 5, row 3 report
hm lattice stability printed: ΔEbcc-hcp	9.649 kJ/mol (basis unstated)	0	bcc	DFT	[9] Hu 2020 cites The	Table 4, p. 5, row 6 report
hm lattice stability printed: ΔEbcc-hcp	10.556 kJ/mol (basis unstated)	0	bcc	model	[9] Hu 2020 cites Mei 2009 doi	Table 4, p. 5, row 1 report
hm lattice stability printed: ΔEbcc-hcp	10.619 kJ/mol (basis unstated)	0	bcc	DFT	[9] Hu 2020	Table 4, p. 5, row 8 report
hm lattice stability printed: ΔEbcc-hcp	6.029 kJ/mol (basis unstated)	0	bcc	model	[9] Hu 2020	Table 4, p. 5, row 9 report
hm lattice stability printed: ΔEbcc-hcp	7.062 kJ/mol (basis unstated)	0	bcc	model	[9] Hu 2020 cites Vrest 2012	Table 4, p. 5, row 4 report
hm lattice stability printed: ΔEfcc-hcp	5.509 kJ/mol (basis unstated)	0	fcc	DFT	[9] Hu 2020 cites Wang 2004 doi	Table 4, p. 5, row 2 report
hm lattice stability printed: ΔEfcc-hcp	6 kJ/mol (basis unstated)	0	fcc	model	[9] Hu 2020 cites Dinsdale 1991 doi	Table 4, p. 5, row 7 report
hm lattice stability printed: ΔEfcc-hcp	5.403 kJ/mol (basis unstated)	0	fcc	DFT	[9] Hu 2020 cites The	Table 4, p. 5, row 6 report
hm lattice stability printed: ΔEfcc-hcp	5.438 kJ/mol (basis unstated)	0	fcc	DFT	[9] Hu 2020	Table 4, p. 5, row 8 report
hm lattice stability printed: ΔEfcc-hcp	5.91 kJ/mol (basis unstated)	0	fcc	model	[9] Hu 2020	Table 4, p. 5, row 9 report
hm lattice stability printed: ΔEfcc-hcp	6.77 kJ/mol (basis unstated)	0	fcc	model	[9] Hu 2020 cites Vrest 2012	Table 4, p. 5, row 4 report
hm lattice stability printed: ΔEω-hcp	-0.579 kJ/mol (basis unstated)	0	ω	model	[9] Hu 2020 cites Hu 2010 doi	Table 4, p. 5, row 3 report
hm lattice stability printed: ΔEω-hcp	-1.351 kJ/mol (basis unstated)	0	ω	DFT	[9] Hu 2020 cites The	Table 4, p. 5, row 6 report
hm lattice stability printed: ΔEω-hcp	-0.203 kJ/mol (basis unstated)	0	ω	model	[9] Hu 2020 cites Mei 2009 doi	Table 4, p. 5, row 1 report
hm lattice stability printed: ΔEω-hcp	-0.571 kJ/mol (basis unstated)	0	ω	DFT	[9] Hu 2020	Table 4, p. 5, row 8 report
hm lattice stability printed: ΔEω-hcp	-0.214 kJ/mol (basis unstated)	0	ω	model	[9] Hu 2020	Table 4, p. 5, row 9 report
hm lattice stability printed: ΔEω-hcp	-0.788 kJ/mol (basis unstated)	0	ω	model	[9] Hu 2020 cites Argaman 2015 doi	Table 4, p. 5, row 5 report
sm fusion printed: ΔfusS°	7.355 J/mol (basis unstated)/K		Ti	model	[9] Hu 2020	Table 3, p. 4, row 22 report
sm fusion printed: ΔfusS°	7.481 J/mol (basis unstated)/K ± 0.25		Ti	model	[9] Hu 2020 cites Desai 1987 doi	Table 3, p. 4, row 19 report
sm fusion printed: ΔfusS°	7.295 J/mol (basis unstated)/K		Ti	model	[9] Hu 2020 cites and Desai [35] 1941	Table 3, p. 4, row 20 report
sm fusion printed: ΔfusS°	7.288 J/mol (basis unstated)/K		Ti	model	[9] Hu 2020 cites Dinsdale 1991 doi	Table 3, p. 4, row 21 report
sm fusion printed: ΔfusS°	6.823 J/mol (basis unstated)/K ± 0.25	298.15	Ti	experimental	[9] Hu 2020 cites Treverton 1971 doi	Table 3, p. 4, row 16 report

Crystal structure (76)

Crystal structure, Ti system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	2.951 Å	0	(αTi) alloy: Ti 1	unspecified	[10] Gierlotka 2023	Table 3, p. 3, row 2 report
Lattice a	2.95 Å	0	(αTi) alloy: Ti 1	unspecified	[10] Gierlotka 2023	Table 3, p. 3, row 4 report
Lattice a	2.9064 Å	0	(αTi) alloy: Ti 1	unspecified	[10] Gierlotka 2023	Table 3, p. 3, row 3 report
Lattice a	2.818 Å	0	(αTi) alloy: Ti 1	unspecified	[10] Gierlotka 2023	Table 3, p. 3, row 1 report
Lattice a	2.97 Å	0	(αTi) alloy: Ti 1	unspecified	[10] Gierlotka 2023	Table 3, p. 3, row 5 report
Lattice a printed: a	3.231 Å	0	Bcc alloy: Ti 1	DFT	[8] Shang 2007	Table 2, p. 2, row 20 report
Lattice a printed: a	4.083 Å	0	Fcc alloy: Ti 1	DFT	[8] Shang 2007	Table 2, p. 2, row 25 report
Lattice a printed: a	2.92 Å	0	Hcp alloy: Ti 1	DFT	[8] Shang 2007	Table 2, p. 2, row 30 report
Lattice a	2.9239 Å		NM HCP Ti alloy: Ti 1	unspecified	[11] Pavlů 2010	Table 1, p. 3, row 6 report
Lattice a	2.9239 Å		NM HCP Ti alloy: Ti 1	unspecified	[11] Pavlů 2010	Table 1, p. 3, row 10 report
Lattice a	3.236 Å		Ti alloy: Ti 1	DFT	[12] Zacherl 2012	Table 1, p. 4, row 4 report
Lattice a	3.241 Å		Ti alloy: Ti 1	DFT	[12] Zacherl 2012 cites Wang 2004 doi	Table 1, p. 4, row 6 report
Lattice a	2.921 Å		Ti alloy: Ti 1	DFT	[12] Zacherl 2012	Table 1, p. 4, row 7 report
Lattice a	2.929 Å		Ti alloy: Ti 1	DFT	[12] Zacherl 2012 cites Wang 2004 doi	Table 1, p. 4, row 9 report
Lattice a	5.1722 Å		Ti2Ti (C14) alloy: Ti 1	unspecified	[11] Pavlů 2010	Table 2, p. 3, row 21 report
Lattice a	5.1722 Å	0	Ti2Ti (C14) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 54 report
Lattice a	7.4963 Å	0	Ti2Ti (C15) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 55 report
Lattice a	5.069 Å	0	Ti2Ti (C36) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 61 report
Lattice a	5.069 Å		Ti2Ti (C36) alloy: Ti 1	unspecified	[11] Pavlů 2010	Table 2, p. 3, row 28 report
Lattice a	3.3065 Å		UNKNOWN alloy: Ti 1	model	[13] Keyzer 2009	Table 1, p. 3, row 2 report
Lattice a	2.9503 Å		hcp-Ti alloy: Ti 1	model	[6] Mattern 2014 cites Beaudry 1974 doi	Table 2, p. 5, row 9 report
Lattice a	2.9504 Å	298.15	NM HCP Ti alloy: Ti 1	experimental	[11] Pavlů 2010 cites Villars 1991	Table 1, p. 3, row 5 report
Lattice a	2.95 Å	298.15	Ti alloy: Ti 1	experimental	[12] Zacherl 2012 cites Dinsdale 1991 doi	Table 1, p. 4, row 8 report
Lattice a	3.31 Å	298.15	Ti alloy: Ti 1	experimental	[12] Zacherl 2012 cites Kittel 2005	Table 1, p. 4, row 5 report
Lattice a	2.956 Å	298.15	αTi alloy: Ti 1	model	[14] Cacciamani 2000 cites Villars 1991	Table 1, p. 2, row 8 report
Lattice a	0.29506 not_printed	298.15	αTi alloy: Ti 1	model	[4] Bittermann 1997 cites Massalski 1990	Table 2, p. 3, row 4 report
Lattice a	2.9506 Å	298.15	αTi alloy: Ti 1	model	[15] Duschanek 1995 cites Massalski 1990	Table 3, p. 4, row 7 report
Lattice a	0.33065 not_printed	298.15	βTi alloy: Ti 1	model	[4] Bittermann 1997 cites Massalski 1990	Table 2, p. 3, row 5 report
Lattice a	3.313 Å	298.15	βTi alloy: Ti 1	model	[14] Cacciamani 2000 cites Villars 1991	Table 1, p. 2, row 9 report
Lattice a	3.3065 Å	298.15	βTi alloy: Ti 1	model	[15] Duschanek 1995 cites Massalski 1990	Table 3, p. 4, row 6 report
Lattice a	2.9503 Å	1154.95 (<)	(αTi) alloy: Ti 1	model	[16] Cao 2013 cites King 1981	Table 1, p. 2, row 2 report
Lattice a	2.952 Å	1978.15	αTi alloy: Ti 1	unspecified	[15] Duschanek 1995 cites ref. 66Rud	Table 3, p. 4, row 8 report
Lattice b	2.951 Å	0	(αTi) alloy: Ti 1	unspecified	[10] Gierlotka 2023	Table 3, p. 3, row 2 report
Lattice b	2.95 Å	0	(αTi) alloy: Ti 1	unspecified	[10] Gierlotka 2023	Table 3, p. 3, row 4 report
Lattice b	2.9064 Å	0	(αTi) alloy: Ti 1	unspecified	[10] Gierlotka 2023	Table 3, p. 3, row 3 report
Lattice b	2.818 Å	0	(αTi) alloy: Ti 1	unspecified	[10] Gierlotka 2023	Table 3, p. 3, row 1 report
Lattice b	2.97 Å	0	(αTi) alloy: Ti 1	unspecified	[10] Gierlotka 2023	Table 3, p. 3, row 5 report
Lattice c	4.685 Å	0	(αTi) alloy: Ti 1	unspecified	[10] Gierlotka 2023	Table 3, p. 3, row 2 report
Lattice c	4.686 Å	0	(αTi) alloy: Ti 1	unspecified	[10] Gierlotka 2023	Table 3, p. 3, row 4 report
Lattice c	4.667 Å	0	(αTi) alloy: Ti 1	unspecified	[10] Gierlotka 2023	Table 3, p. 3, row 3 report
Lattice c	4.551 Å	0	(αTi) alloy: Ti 1	unspecified	[10] Gierlotka 2023	Table 3, p. 3, row 1 report
Lattice c	4.72 Å	0	(αTi) alloy: Ti 1	unspecified	[10] Gierlotka 2023	Table 3, p. 3, row 5 report
Lattice c	4.6249 Å		NM HCP Ti alloy: Ti 1	unspecified	[11] Pavlů 2010	Table 1, p. 3, row 6 report
Lattice c	4.6249 Å		NM HCP Ti alloy: Ti 1	unspecified	[11] Pavlů 2010	Table 1, p. 3, row 10 report
Lattice c	4.632 Å		Ti alloy: Ti 1	DFT	[12] Zacherl 2012	Table 1, p. 4, row 7 report
Lattice c	4.631 Å		Ti alloy: Ti 1	DFT	[12] Zacherl 2012 cites Wang 2004 doi	Table 1, p. 4, row 9 report
Lattice c	8.9465 Å		Ti2Ti (C14) alloy: Ti 1	unspecified	[11] Pavlů 2010	Table 2, p. 3, row 21 report
Lattice c	8.9465 Å	0	Ti2Ti (C14) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 54 report
Lattice c	18.8228 Å	0	Ti2Ti (C36) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 61 report
Lattice c	18.8228 Å		Ti2Ti (C36) alloy: Ti 1	unspecified	[11] Pavlů 2010	Table 2, p. 3, row 28 report
Lattice c	4.681 Å		hcp-Ti alloy: Ti 1	model	[6] Mattern 2014 cites Beaudry 1974 doi	Table 2, p. 5, row 9 report
Lattice c	4.681 Å	298.15	NM HCP Ti alloy: Ti 1	experimental	[11] Pavlů 2010 cites Villars 1991	Table 1, p. 3, row 5 report
Lattice c	4.68 Å	298.15	Ti alloy: Ti 1	experimental	[12] Zacherl 2012 cites Dinsdale 1991 doi	Table 1, p. 4, row 8 report
Lattice c	4.693 Å	298.15	αTi alloy: Ti 1	model	[14] Cacciamani 2000 cites Villars 1991	Table 1, p. 2, row 8 report
Lattice c	0.46835 not_printed	298.15	αTi alloy: Ti 1	model	[4] Bittermann 1997 cites Massalski 1990	Table 2, p. 3, row 4 report
Lattice c	4.6835 Å	298.15	αTi alloy: Ti 1	model	[15] Duschanek 1995 cites Massalski 1990	Table 3, p. 4, row 7 report
Lattice c	4.6836 Å	1154.95 (<)	(αTi) alloy: Ti 1	model	[16] Cao 2013 cites King 1981	Table 1, p. 2, row 2 report
Lattice c	4.692 Å	1978.15	αTi alloy: Ti 1	unspecified	[15] Duschanek 1995 cites ref. 66Rud	Table 3, p. 4, row 8 report
Molar volume printed: V0	8.58 Å3/atom	0	hcp-Ti alloy: Ti 1	DFT	[12] Zacherl 2012 cites Mei 2009 doi	Table 2, p. 4, row 4 report
Molar volume printed: V0	8.56 Å3/atom	0	hcp-Ti alloy: Ti 1	DFT	[12] Zacherl 2012	Table 2, p. 4, row 3 report
Molar volume printed: V0	8.82 Å3/atom	300	hcp-Ti alloy: Ti 1	experimental	[12] Zacherl 2012 cites Zhang 2008 doi	Table 2, p. 4, row 5 report
Molar volume printed: VX at 723 K	10.77 10^-6 m^3/mol	723	UNKNOWN alloy: Ti 1	model	[17] Doi 2006 cites Tanaka 1994 doi	Table 7, p. 10, row 2 report
Molar volume printed: Vm,X	11.6 10^-6 m^3/mol	1998	UNKNOWN alloy: Ti 1	model	[17] Doi 2006 cites Tanaka 1994 doi	Table 7, p. 10, row 2 report
lattice 4e z	0.1004 not_printed	0	Ti2Ti (C36) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 61 report
lattice 4f z	0.0523 not_printed	0	Ti2Ti (C14) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 54 report
lattice 4f z 1	0.8496 not_printed	0	Ti2Ti (C36) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 61 report
lattice 4f z 2	0.1276 not_printed	0	Ti2Ti (C36) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 61 report
lattice 6h x	0.8263 not_printed	0	Ti2Ti (C14) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 54 report
lattice 6h x	0.163 not_printed	0	Ti2Ti (C36) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 61 report
lattice 6h y	0.6527 not_printed	0	Ti2Ti (C14) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 54 report
lattice 6h y	0.3259 not_printed	0	Ti2Ti (C36) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 61 report
lattice c a	1.5818 not_printed		NM HCP Ti alloy: Ti 1	unspecified	[11] Pavlů 2010	Table 1, p. 3, row 10 report
lattice v atom	1.71204 10^7 pm^3		NM HCP Ti alloy: Ti 1	unspecified	[11] Pavlů 2010	Table 1, p. 3, row 10 report
lattice v atom	1.72722 10^7 pm^3	0	Ti2Ti (C14) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 54 report
lattice v atom	1.7552 10^7 pm^3	0	Ti2Ti (C15) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 55 report
lattice v atom	1.74524 10^7 pm^3	0	Ti2Ti (C36) alloy: Ti 1	DFT	[11] Pavlů 2010	Table 2, p. 3, row 61 report

Sources

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

Weisen Zheng, Wei Song, Tong Wu, Jingya Wang, Yanlin He, Xiao-Gang Lu, Experimental investigation and thermodynamic modeling of the ternary Ti–Fe–Mn system for hydrogen storage applications, Journal of Alloys and Compounds 891, 161957 (2022). doi:10.1016/j.jallcom.2021.161957
Zhi Liang, Ursula Kattner, Kamal Choudharry, Francesca Tavazza, Carelyn Campbell, Thermodynamic Assessments of Ti-Al, Ti-Fe, and Ti-Al-Fe Systems with Four-Sublattice Description of Ordered Body-Centered Cubic Phase and Density Functional Theory Data, J. Phase Equilib. Diffus. 45, 732-756 (2024). doi:10.1007/s11669-024-01124-9
Xiaoyan Ma, Changrong Li, Zhenmin Du, Weijing Zhang, Thermodynamic assessment of the Ti–B system, Journal of Alloys and Compounds 370, 149-158 (2004). doi:10.1016/j.jallcom.2003.09.017
H. Bittermann, P. Rogl, Critical assessment and thermodynamic calculation of the ternary system boron-hafnium-titanium (B-Hf-Ti), JPE 18, 24-47 (1997). doi:10.1007/bf02646757
J. L. Murray, The Mg−Ti (Magnesium-Titanium) system, Bulletin of Alloy Phase Diagrams 7, 245-248 (1986). doi:10.1007/bf02868999
N. Mattern, Y. Yokoyama, A. Mizuno, J.H. Han, O. Fabrichnaya, T. Harada et al., Experimental and thermodynamic assessment of the Nd–Ti system, Calphad 47, 136-143 (2014). doi:10.1016/j.calphad.2014.08.002
K. Santhy, K.C. Hari Kumar, Thermodynamic reassessment of Nb-Ni-Ti system with order–disorder model, Journal of Alloys and Compounds 619, 733-747 (2015). doi:10.1016/j.jallcom.2014.08.200
Shunli Shang, Zhi-Jie Liu, Zi-Kui Liu, Thermodynamic modeling of the Ba–Ni–Ti system, Journal of Alloys and Compounds 430, 188-193 (2007). doi:10.1016/j.jallcom.2006.03.096
Biao Hu, Soumya Sridar, Liangyan Hao, Wei Xiong, A new thermodynamic modeling of the Ti–V system including the metastable ω phase, Intermetallics 122, 106791 (2020). doi:10.1016/j.intermet.2020.106791
Wojciech Gierlotka, Adam Dębski, Władysław Gąsior, Marek Polański, Computational approach to the Ag-Ti system, Computational Materials Science 230, 112519 (2023). doi:10.1016/j.commatsci.2023.112519
J. Pavlů, J. Vřešt’ál, M. Šob, Thermodynamic modeling of Laves phases in the Cr–Hf and Cr–Ti systems: Reassessment using first-principles results, Calphad 34, 215-221 (2010). doi:10.1016/j.calphad.2010.03.003
Chelsey L. Zacherl, Shun-Li Shang, Arkapol Saengdeejing, Zi-Kui Liu, Phase stability and thermodynamic modeling of the Re–Ti system supplemented by first-principles calculations, Calphad 38, 71-80 (2012). doi:10.1016/j.calphad.2012.05.001
Jozefien De Keyzer, Gabriele Cacciamani, Nathalie Dupin, Patrick Wollants, Thermodynamic modeling and optimization of the Fe–Ni–Ti system, Calphad 33, 109-123 (2009). doi:10.1016/j.calphad.2008.10.003
G. Cacciamani, R. Ferro, I. Ansara, N. Dupin, Thermodynamic modelling of the Co–Ti system, Intermetallics 8, 213-222 (2000). doi:10.1016/s0966-9795(99)00098-9
H. Duschanek, P. Rogl, H. L. Lukas, A critical assessment and thermodynamic calculation of the boron-carbon-titanium (B-C-Ti) ternary system, JPE 16, 46-60 (1995). doi:10.1007/bf02646248
Z. Cao, J. Xin, C. Chen, S. Liu, B. Hu, C. Tang et al., Thermodynamic modeling of the Bi-M (M = Ti, Cr, V) systems, J min metall B Metall 49, 307-313 (2013). doi:10.2298/jmmb130127033c
K. Doi, S. Ono, H. Ohtani, M. Hasebe, Thermodynamic study of the phase equilibria in the Sn−Ti−Zn ternary system, JPED 27, 63-74 (2006). doi:10.1361/105497106x92826

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}
}