Be–Ti system

43 accepted literature values from 1 paper(s) (model 34, DFT 9); 1 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 (11) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
model	34
DFT	9

Accepted values by property group
Property group	Values
formation	33
crystal structure	10

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
BeTi-06Tok.tdb	T. Tokunaga, H. Ohtani, M.Hasebe, J. Phase Equilib. Diffus., 27, 83-91(2006). doi:10.1361/105497106X92844	`99382030a5f6684b1a41cbade3a0016d0e30189e10937df71851f7296664f960`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
BeTi-06Tok.tdb	1890.42	LIQUID (x(Ti) 0.05321) + BE10TI (x(Ti) 0.09091) + BE17TI2 (x(Ti) 0.10526)
BeTi-06Tok.tdb	1890.42	LIQUID (x(Ti) 0.05316) + BE10TI (x(Ti) 0.09091) + BE17TI2 (x(Ti) 0.10526)
BeTi-06Tok.tdb	1890.42	LIQUID (x(Ti) 0.05331) + BE10TI (x(Ti) 0.09091) + BE17TI2 (x(Ti) 0.10526)
BeTi-06Tok.tdb	1839.94	LIQUID (x(Ti) 0.03148) + BE12TI_D2B (x(Ti) 0.07692) + BE10TI (x(Ti) 0.09091)
BeTi-06Tok.tdb	1839.94	LIQUID (x(Ti) 0.03144) + BE12TI_D2B (x(Ti) 0.07692) + BE10TI (x(Ti) 0.09091)
BeTi-06Tok.tdb	1832.99	BE17TI2 (x(Ti) 0.10526) + BE13TI2 (x(Ti) 0.13333) + LIQUID (x(Ti) 0.20104)
BeTi-06Tok.tdb	1832.99	BE17TI2 (x(Ti) 0.10526) + BE13TI2 (x(Ti) 0.13333) + LIQUID (x(Ti) 0.20097)
BeTi-06Tok.tdb	1730.52	BE13TI2 (x(Ti) 0.13333) + BE3TI (x(Ti) 0.25) + LIQUID (x(Ti) 0.258)
BeTi-06Tok.tdb	1730.52	BE13TI2 (x(Ti) 0.13333) + BE3TI (x(Ti) 0.25) + LIQUID (x(Ti) 0.25772)
BeTi-06Tok.tdb	1730.52	BE13TI2 (x(Ti) 0.13333) + BE3TI (x(Ti) 0.25) + LIQUID (x(Ti) 0.25803)
BeTi-06Tok.tdb	1620.24	BE3TI (x(Ti) 0.25) + BE2TI_C15 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.3675)
BeTi-06Tok.tdb	1620.24	BE3TI (x(Ti) 0.25) + BE2TI_C15 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.3673)
BeTi-06Tok.tdb	1620.24	BE3TI (x(Ti) 0.25) + BE2TI_C15 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.36754)
BeTi-06Tok.tdb	1558.47	BCC_B2 (x(Ti) 1.800e-4) + LIQUID (x(Ti) 7.700e-4) + BE12TI_D2B (x(Ti) 0.07692)
BeTi-06Tok.tdb	1526.66	HCP_A3 (x(Ti) 0) + BCC_B2 (x(Ti) 1.200e-4) + BE12TI_D2B (x(Ti) 0.07692)
BeTi-06Tok.tdb	1457.9	BE2TI_C15 (x(Ti) 0.33333) + BE5TI4 (x(Ti) 0.44444) + LIQUID (x(Ti) 0.50187)
BeTi-06Tok.tdb	1457.9	BE2TI_C15 (x(Ti) 0.33333) + BE5TI4 (x(Ti) 0.44444) + LIQUID (x(Ti) 0.50134)
BeTi-06Tok.tdb	1457.9	BE2TI_C15 (x(Ti) 0.33333) + BE5TI4 (x(Ti) 0.44444) + LIQUID (x(Ti) 0.50192)
BeTi-06Tok.tdb	1250	BE5TI4 (x(Ti) 0.44444) + LIQUID (x(Ti) 0.69759) + BCC_B2 (x(Ti) 0.91144)
BeTi-06Tok.tdb	1250	BE5TI4 (x(Ti) 0.44444) + LIQUID (x(Ti) 0.69761) + BCC_B2 (x(Ti) 0.91147)
BeTi-06Tok.tdb	1074.19	BE5TI4 (x(Ti) 0.44444) + BCC_B2 (x(Ti) 0.96017) + HCP_A3 (x(Ti) 0.99858)
BeTi-06Tok.tdb	1074.19	BE5TI4 (x(Ti) 0.44444) + BCC_B2 (x(Ti) 0.96025) + HCP_A3 (x(Ti) 0.99858)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

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, Be–Ti system (33)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Ti3Be(D03)		3.6 kJ/mol-atom		DFT			[1] Tokunaga 2006	Table 2, p. 2, row 1 report
Ti3Be(D03)	BeTi3	3.6 kJ/mol-atom	0	model	-0.057 (mp-aaacpoqd)	7.452 (oqmd-314708)	[1] Tokunaga 2006	Table 2, p. 2, row 1 report
TiBe(B2)	BeTi	-27 kJ/mol-atom		model	-13.537 (mp-aaaaaqrv)	-15.798 (oqmd-10906)	[1] Tokunaga 2006	Table 2, p. 2, row 2 report
TiBe(B2)		-23.6 kJ/mol-atom		DFT			[1] Tokunaga 2006	Table 2, p. 2, row 2 report
TiBe(B2)	BeTi	-23.6 kJ/mol-atom	0	model	-13.537 (mp-aaaaaqrv)	-15.798 (oqmd-10906)	[1] Tokunaga 2006	Table 2, p. 2, row 2 report
TiBe(B2)	BeTi	-19.1 kJ/mol-atom		model	-13.537 (mp-aaaaaqrv)	-15.798 (oqmd-10906)	[1] Tokunaga 2006 cites Kaufman 1979 doi	Table 2, p. 2, row 3 report
TiBe(B32)	BeTi	28.3 kJ/mol-atom	0	model	-13.537 (mp-aaaaaqrv)	-15.798 (oqmd-10906)	[1] Tokunaga 2006	Table 2, p. 2, row 4 report
TiBe(B32)		28.3 kJ/mol-atom		DFT			[1] Tokunaga 2006	Table 2, p. 2, row 4 report
TiBe12	Be12Ti	-28.5 kJ/mol-atom		model	-14.252 (mp-aaackvgd)	-14.123 (oqmd-28706)	[1] Tokunaga 2006 cites Kaufman 1973	Table 2, p. 2, row 17 report
TiBe12	Be12Ti	-23.8 kJ/mol-atom		model	-14.252 (mp-aaackvgd)	-14.123 (oqmd-28706)	[1] Tokunaga 2006 cites Kaufman 1979 doi	Table 2, p. 2, row 18 report
TiBe12	Be12Ti	-22.8 kJ/mol-atom		model	-14.252 (mp-aaackvgd)	-14.123 (oqmd-28706)	[1] Tokunaga 2006	Table 2, p. 2, row 16 report
TiBe12	Be12Ti	-22.2 kJ/mol-atom	0	model	-14.252 (mp-aaackvgd)	-14.123 (oqmd-28706)	[1] Tokunaga 2006	Table 2, p. 2, row 16 report
TiBe12		-22.2 kJ/mol-atom		DFT			[1] Tokunaga 2006	Table 2, p. 2, row 16 report
TiBe2	Be2Ti	-29.7 kJ/mol-atom		model	-18.697 (mp-aaaaaebt)	-20.324 (oqmd-10907)	[1] Tokunaga 2006 cites Kaufman 1973	Table 2, p. 2, row 10 report
TiBe2	Be2Ti	-29.7 kJ/mol-atom		model	-18.697 (mp-aaaaaebt)	-20.324 (oqmd-10907)	[1] Tokunaga 2006	Table 2, p. 2, row 6 report
TiBe2	Be2Ti	-26.5 kJ/mol-atom		model	-18.697 (mp-aaaaaebt)	-20.324 (oqmd-10907)	[1] Tokunaga 2006 cites Kaufman 1973	Table 2, p. 2, row 7 report
TiBe2	Be2Ti	-25.7 kJ/mol-atom	0	model	-18.697 (mp-aaaaaebt)	-20.324 (oqmd-10907)	[1] Tokunaga 2006	Table 2, p. 2, row 6 report
TiBe2		-25.7 kJ/mol-atom		DFT			[1] Tokunaga 2006	Table 2, p. 2, row 6 report
TiBe2	Be2Ti	-24.9 kJ/mol-atom		model	-18.697 (mp-aaaaaebt)	-20.324 (oqmd-10907)	[1] Tokunaga 2006 cites Kaufman 1979 doi	Table 2, p. 2, row 8 report
TiBe3	Be3Ti	-29.7 kJ/mol-atom		model	-19.76 (mp-aaackuiz)	-20.401 (oqmd-28705)	[1] Tokunaga 2006 cites Kaufman 1973	Table 2, p. 2, row 10 report
TiBe3	Be3Ti	-28 kJ/mol-atom		model	-19.76 (mp-aaackuiz)	-20.401 (oqmd-28705)	[1] Tokunaga 2006	Table 2, p. 2, row 9 report
TiBe3		-27.9 kJ/mol-atom		DFT			[1] Tokunaga 2006	Table 2, p. 2, row 9 report
TiBe3	Be3Ti	-27.9 kJ/mol-atom	0	model	-19.76 (mp-aaackuiz)	-20.401 (oqmd-28705)	[1] Tokunaga 2006	Table 2, p. 2, row 9 report
TiBe3	Be3Ti	-26 kJ/mol-atom		model	-19.76 (mp-aaackuiz)	-20.401 (oqmd-28705)	[1] Tokunaga 2006 cites Kaufman 1979 doi	Table 2, p. 2, row 11 report
TiBe3(D03)		-12.8 kJ/mol-atom		DFT			[1] Tokunaga 2006	Table 2, p. 2, row 5 report
TiBe3(D03)	Be3Ti	-12.8 kJ/mol-atom	0	model	-19.76 (mp-aaackuiz)	-4.528 (oqmd-309789)	[1] Tokunaga 2006	Table 2, p. 2, row 5 report
αTi2Be17	Be17Ti2	-31.3 kJ/mol-atom		model	-19.177 (mp-aaacqjph)	-19.201 (oqmd-19076)	[1] Tokunaga 2006 cites Kaufman 1973	Table 2, p. 2, row 13 report
αTi2Be17	Be17Ti2	-26.4 kJ/mol-atom		model	-19.177 (mp-aaacqjph)	-19.201 (oqmd-19076)	[1] Tokunaga 2006 cites Kaufman 1979 doi	Table 2, p. 2, row 14 report
αTi2Be17	Be17Ti2	-24.3 kJ/mol-atom		model	-19.177 (mp-aaacqjph)	-19.201 (oqmd-19076)	[1] Tokunaga 2006	Table 2, p. 2, row 12 report
αTi2Be17	Be17Ti2	-21.4 kJ/mol-atom	0	model	-19.177 (mp-aaacqjph)	-19.201 (oqmd-19076)	[1] Tokunaga 2006	Table 2, p. 2, row 12 report
αTi2Be17		-21.4 kJ/mol-atom		DFT			[1] Tokunaga 2006	Table 2, p. 2, row 12 report
βTi2Be17		-22 kJ/mol-atom		DFT			[1] Tokunaga 2006	Table 2, p. 2, row 15 report
βTi2Be17	Be17Ti2	-22 kJ/mol-atom	0	model	-19.177 (mp-aaacqjph)	-19.201 (oqmd-19076)	[1] Tokunaga 2006	Table 2, p. 2, row 15 report

Other properties

Crystal structure (10)

Crystal structure, Be–Ti system
Property	Value	Phases / composition	Class	Source	Location
Lattice a	2.94 Å	TiBe alloy: Ti 0.5	model	[1] Tokunaga 2006 cites Villars 1997	Table 1, p. 2, row 2 report
Lattice a	7.35 Å	TiBe12 alloy: Ti 0.076923	model	[1] Tokunaga 2006 cites Villars 1997	Table 1, p. 2, row 9 report
Lattice a	6.427 Å	TiBe2 alloy: Ti 0.333333	model	[1] Tokunaga 2006 cites Villars 1997	Table 1, p. 2, row 5 report
Lattice a	4.49 Å	TiBe3 alloy: Ti 0.25	model	[1] Tokunaga 2006 cites Villars 1997	Table 1, p. 2, row 6 report
Lattice a	7.34 Å	αTi2Be17 alloy: Ti 0.105263	model	[1] Tokunaga 2006 cites Villars 1997	Table 1, p. 2, row 7 report
Lattice a	7.35 Å	βTi2Be17 alloy: Ti 0.105263	model	[1] Tokunaga 2006 cites Villars 1997	Table 1, p. 2, row 8 report
Lattice c	4.19 Å	TiBe12 alloy: Ti 0.076923	model	[1] Tokunaga 2006 cites Villars 1997	Table 1, p. 2, row 9 report
Lattice c	21.32 Å	TiBe3 alloy: Ti 0.25	model	[1] Tokunaga 2006 cites Villars 1997	Table 1, p. 2, row 6 report
Lattice c	10.73 Å	αTi2Be17 alloy: Ti 0.105263	model	[1] Tokunaga 2006 cites Villars 1997	Table 1, p. 2, row 7 report
Lattice c	7.26 Å	βTi2Be17 alloy: Ti 0.105263	model	[1] Tokunaga 2006 cites Villars 1997	Table 1, p. 2, row 8 report

Sources

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

Tatsuya Tokunaga, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic evaluation of the phase equilibria and glass-forming ability of the Ti−Be system, JPED 27, 83-91 (2006). doi:10.1361/105497106x92844

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}
}