Ti–Zn system

3 accepted literature values from 1 paper(s) (model 1, DFT 2); 4 calculated phase diagram(s). 1 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 (13) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
model	1
DFT	2

Accepted values by property group
Property group	Values
invariant reaction	1
formation	2

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
TiZn-06Doi.tdb	K. Doi, S. Ono, H. Ohtani, M. Hasebe, J. Phase Equilib. Diffus., 27, 63-74(2006). doi:10.1361/105497106X92826	`56c07b98ef2ea8d3c87c2849ad57050fa919fa029eb82dcd8032097c4811447d`	viewer · TDB · JSON
TiZn-13Luo.tdb	Q. Luo, Q. Li, J.-Y. Zhang, S.-L. Chen, K.-C. Chou, Intermetallics, 33, 73-80(2013). doi:10.1016/j.intermet.2012.09.027	`8524092dbafc6a24b14c0560aeb3734da1c5899b4fe51073f236757975e431e8`	viewer · TDB · JSON
TiZn-19Lia.tdb	S.-M. Liang, H.K. Singh, H. Zhang, R. Schmid-Fetzer, Calphad, 64, 213-24(2019). doi:10.1016/j.calphad.2018.12.009	`a5c4521781f923693abf1513d1fac498f3e9ef47c5639258f4fad4492985dce7`	viewer · TDB · JSON
TiZn-22Den.tdb	Z. Deng, K. Xu, Y. Tian, M. Lou, R. Xue, L. Zhang, L. Liu, K. Chang, Calphad, 76, 102392(2022). doi:10.1016/j.calphad.2022.102392	`0fd031172e0b01cbbc6b2c7c26691578c9b11757fe8c6a63dd3edf6d5719ad10`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
TiZn-06Doi.tdb	1283.79	BCC_A2 (x(Zn) 0.31387) + LIQUID (x(Zn) 0.46928) + TIZN_B2 (x(Zn) 0.5)
TiZn-06Doi.tdb	1283.79	BCC_A2 (x(Zn) 0.31362) + LIQUID (x(Zn) 0.46903) + TIZN_B2 (x(Zn) 0.5)
TiZn-06Doi.tdb	1270.4	TIZN_B2 (x(Zn) 0.5) + LIQUID (x(Zn) 0.60324) + TIZN2_C14 (x(Zn) 0.66667)
TiZn-06Doi.tdb	1270.4	TIZN_B2 (x(Zn) 0.5) + LIQUID (x(Zn) 0.60305) + TIZN2_C14 (x(Zn) 0.66667)
TiZn-06Doi.tdb	1163.65	BCC_A2 (x(Zn) 0.23536) + TI2ZN (x(Zn) 0.33333) + TIZN_B2 (x(Zn) 0.5)
TiZn-06Doi.tdb	1163.65	BCC_A2 (x(Zn) 0.23528) + TI2ZN (x(Zn) 0.33333) + TIZN_B2 (x(Zn) 0.5)
TiZn-06Doi.tdb	1163.65	BCC_A2 (x(Zn) 0.23567) + TI2ZN (x(Zn) 0.33333) + TIZN_B2 (x(Zn) 0.5)
TiZn-06Doi.tdb	1151.6	TIZN2_C14 (x(Zn) 0.66667) + TIZN3_L12 (x(Zn) 0.75) + LIQUID (x(Zn) 0.9109)
TiZn-06Doi.tdb	1151.6	TIZN2_C14 (x(Zn) 0.66667) + TIZN3_L12 (x(Zn) 0.75) + LIQUID (x(Zn) 0.91088)
TiZn-06Doi.tdb	906.89	HCP_A3 (x(Zn) 1.500e-4) + BCC_A2 (x(Zn) 0.10198) + TI2ZN (x(Zn) 0.33333)
TiZn-06Doi.tdb	906.89	HCP_A3 (x(Zn) 1.500e-4) + BCC_A2 (x(Zn) 0.10189) + TI2ZN (x(Zn) 0.33333)
TiZn-06Doi.tdb	797.22	TIZN3_L12 (x(Zn) 0.75) + TIZN5 (x(Zn) 0.83333) + LIQUID (x(Zn) 0.99958)
TiZn-06Doi.tdb	797.22	TIZN3_L12 (x(Zn) 0.75) + TIZN5 (x(Zn) 0.83333) + LIQUID (x(Zn) 0.99958)
TiZn-06Doi.tdb	797.22	TIZN3_L12 (x(Zn) 0.75) + TIZN5 (x(Zn) 0.83333) + LIQUID (x(Zn) 0.99958)
TiZn-06Doi.tdb	762.36	TIZN5 (x(Zn) 0.83333) + TIZN10 (x(Zn) 0.90909) + LIQUID (x(Zn) 0.99982)
TiZn-06Doi.tdb	762.36	TIZN5 (x(Zn) 0.83333) + TIZN10 (x(Zn) 0.90909) + LIQUID (x(Zn) 0.99982)
TiZn-06Doi.tdb	762.36	TIZN5 (x(Zn) 0.83333) + TIZN10 (x(Zn) 0.90909) + LIQUID (x(Zn) 0.99982)
TiZn-06Doi.tdb	735.15	TIZN10 (x(Zn) 0.90909) + TIZN15 (x(Zn) 0.9375) + LIQUID (x(Zn) 0.99993)
TiZn-06Doi.tdb	735.15	TIZN10 (x(Zn) 0.90909) + TIZN15 (x(Zn) 0.9375) + LIQUID (x(Zn) 0.99993)
TiZn-06Doi.tdb	735.15	TIZN10 (x(Zn) 0.90909) + TIZN15 (x(Zn) 0.9375) + LIQUID (x(Zn) 0.99993)
TiZn-06Doi.tdb	692.67	TIZN15 (x(Zn) 0.9375) + LIQUID (x(Zn) 0.99999) + HCP_A3 (x(Zn) 1)
TiZn-06Doi.tdb	692.67	TIZN15 (x(Zn) 0.9375) + LIQUID (x(Zn) 0.99999) + HCP_A3 (x(Zn) 1)
TiZn-13Luo.tdb	1284.53	BCC_A2 (x(Zn) 0.32986) + LIQUID (x(Zn) 0.48366) + TIZN_B2 (x(Zn) 0.5)
TiZn-13Luo.tdb	1284.53	BCC_A2 (x(Zn) 0.32959) + LIQUID (x(Zn) 0.48339) + TIZN_B2 (x(Zn) 0.5)
TiZn-13Luo.tdb	1269.74	TIZN_B2 (x(Zn) 0.5) + LIQUID (x(Zn) 0.59631) + TIZN2_C14 (x(Zn) 0.66667)
TiZn-13Luo.tdb	1269.74	TIZN_B2 (x(Zn) 0.5) + LIQUID (x(Zn) 0.59582) + TIZN2_C14 (x(Zn) 0.66667)
TiZn-13Luo.tdb	1163.27	BCC_A2 (x(Zn) 0.26464) + TI2ZN (x(Zn) 0.33333) + TIZN_B2 (x(Zn) 0.5)
TiZn-13Luo.tdb	1163.27	BCC_A2 (x(Zn) 0.26459) + TI2ZN (x(Zn) 0.33333) + TIZN_B2 (x(Zn) 0.5)
TiZn-13Luo.tdb	1163.27	BCC_A2 (x(Zn) 0.26479) + TI2ZN (x(Zn) 0.33333) + TIZN_B2 (x(Zn) 0.5)
TiZn-13Luo.tdb	1155.75	TIZN2_C14 (x(Zn) 0.66667) + TIZN3_L12 (x(Zn) 0.75) + LIQUID (x(Zn) 0.8903)
TiZn-13Luo.tdb	1155.75	TIZN2_C14 (x(Zn) 0.66667) + TIZN3_L12 (x(Zn) 0.75) + LIQUID (x(Zn) 0.89009)
TiZn-13Luo.tdb	910.95	HCP_A3 (x(Zn) 0.01268) + BCC_A2 (x(Zn) 0.10762) + TI2ZN (x(Zn) 0.33333)
TiZn-13Luo.tdb	910.95	HCP_A3 (x(Zn) 0.01268) + BCC_A2 (x(Zn) 0.1076) + TI2ZN (x(Zn) 0.33333)
TiZn-13Luo.tdb	866.19	TIZN3_L12 (x(Zn) 0.75) + TI3ZN22 (x(Zn) 0.88) + LIQUID (x(Zn) 0.99485)
TiZn-13Luo.tdb	866.19	TIZN3_L12 (x(Zn) 0.75) + TI3ZN22 (x(Zn) 0.88) + LIQUID (x(Zn) 0.99486)
TiZn-13Luo.tdb	866.19	TIZN3_L12 (x(Zn) 0.75) + TI3ZN22 (x(Zn) 0.88) + LIQUID (x(Zn) 0.99484)
TiZn-13Luo.tdb	734.1	TI3ZN22 (x(Zn) 0.88) + TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.9998)
TiZn-13Luo.tdb	734.1	TI3ZN22 (x(Zn) 0.88) + TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.9998)
TiZn-13Luo.tdb	734.1	TI3ZN22 (x(Zn) 0.88) + TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.9998)
TiZn-13Luo.tdb	692.67	TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.99997) + HCP_A3 (x(Zn) 1)
TiZn-13Luo.tdb	692.67	TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.99997) + HCP_A3 (x(Zn) 1)
TiZn-19Lia.tdb	1426.38	BCC_A2 (x(Zn) 0.26864) + TIZN_B2 (x(Zn) 0.5) + LIQUID (x(Zn) 0.535)
TiZn-19Lia.tdb	1426.38	BCC_A2 (x(Zn) 0.26863) + TIZN_B2 (x(Zn) 0.5) + LIQUID (x(Zn) 0.53499)
TiZn-19Lia.tdb	1399.88	TIZN_B2 (x(Zn) 0.5) + LIQUID (x(Zn) 0.63688) + TIZN2_C14 (x(Zn) 0.66667)
TiZn-19Lia.tdb	1399.88	TIZN_B2 (x(Zn) 0.5) + LIQUID (x(Zn) 0.63715) + TIZN2_C14 (x(Zn) 0.66667)
TiZn-19Lia.tdb	1399.88	TIZN_B2 (x(Zn) 0.5) + LIQUID (x(Zn) 0.63649) + TIZN2_C14 (x(Zn) 0.66667)
TiZn-19Lia.tdb	1399.88	TIZN_B2 (x(Zn) 0.5) + LIQUID (x(Zn) 0.63647) + TIZN2_C14 (x(Zn) 0.66667)
TiZn-19Lia.tdb	1394.5	TIZN2_C14 (x(Zn) 0.66667) + LIQUID (x(Zn) 0.71445) + TIZN3_L12 (x(Zn) 0.75)
TiZn-19Lia.tdb	1394.5	TIZN2_C14 (x(Zn) 0.66667) + LIQUID (x(Zn) 0.71391) + TIZN3_L12 (x(Zn) 0.75)
TiZn-19Lia.tdb	1138.77	BCC_A2 (x(Zn) 0.16431) + TI2ZN (x(Zn) 0.33333) + TIZN_B2 (x(Zn) 0.5)
TiZn-19Lia.tdb	1138.77	BCC_A2 (x(Zn) 0.16425) + TI2ZN (x(Zn) 0.33333) + TIZN_B2 (x(Zn) 0.5)
TiZn-19Lia.tdb	1138.77	BCC_A2 (x(Zn) 0.16441) + TI2ZN (x(Zn) 0.33333) + TIZN_B2 (x(Zn) 0.5)
TiZn-19Lia.tdb	949.1	HCP_A3 (x(Zn) 0.01239) + BCC_A2 (x(Zn) 0.09243) + TI2ZN (x(Zn) 0.33333)
TiZn-19Lia.tdb	949.1	HCP_A3 (x(Zn) 0.01238) + BCC_A2 (x(Zn) 0.09231) + TI2ZN (x(Zn) 0.33333)
TiZn-19Lia.tdb	885.92	TIZN3_L12 (x(Zn) 0.75) + TI3ZN22 (x(Zn) 0.88) + LIQUID (x(Zn) 0.96246)
TiZn-19Lia.tdb	885.92	TIZN3_L12 (x(Zn) 0.75) + TI3ZN22 (x(Zn) 0.88) + LIQUID (x(Zn) 0.96239)
TiZn-19Lia.tdb	738.15	TI3ZN22 (x(Zn) 0.88) + TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.99047)
TiZn-19Lia.tdb	738.15	TI3ZN22 (x(Zn) 0.88) + TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.9904)
TiZn-19Lia.tdb	738.15	TI3ZN22 (x(Zn) 0.88) + TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.9905)
TiZn-19Lia.tdb	691.35	TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.99765) + HCP_A3 (x(Zn) 1)
TiZn-19Lia.tdb	691.35	TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.9977) + HCP_A3 (x(Zn) 1)
TiZn-19Lia.tdb	691.35	TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.99772) + HCP_A3 (x(Zn) 1)
TiZn-22Den.tdb	1395.94	BCC_A2 (x(Zn) 0.20764) + TIZN_B2 (x(Zn) 0.5) + LIQUID (x(Zn) 0.51068)
TiZn-22Den.tdb	1264.14	TIZN_B2 (x(Zn) 0.5) + TIZN2_C14 (x(Zn) 0.66667) + LIQUID (x(Zn) 0.66839)
TiZn-22Den.tdb	1264.14	TIZN_B2 (x(Zn) 0.5) + TIZN2_C14 (x(Zn) 0.66667) + LIQUID (x(Zn) 0.66824)
TiZn-22Den.tdb	1177.52	TIZN2_C14 (x(Zn) 0.66667) + TIZN3_L12 (x(Zn) 0.75) + LIQUID (x(Zn) 0.78154)
TiZn-22Den.tdb	1177.52	TIZN2_C14 (x(Zn) 0.66667) + TIZN3_L12 (x(Zn) 0.75) + LIQUID (x(Zn) 0.78173)
TiZn-22Den.tdb	1177.52	TIZN2_C14 (x(Zn) 0.66667) + TIZN3_L12 (x(Zn) 0.75) + LIQUID (x(Zn) 0.78131)
TiZn-22Den.tdb	976.45	BCC_A2 (x(Zn) 0.17478) + TI2ZN (x(Zn) 0.33333) + TIZN_B2 (x(Zn) 0.5)
TiZn-22Den.tdb	976.45	BCC_A2 (x(Zn) 0.17482) + TI2ZN (x(Zn) 0.33333) + TIZN_B2 (x(Zn) 0.5)
TiZn-22Den.tdb	882.46	TIZN3_L12 (x(Zn) 0.75) + TI3ZN22 (x(Zn) 0.88) + LIQUID (x(Zn) 0.94074)
TiZn-22Den.tdb	882.46	TIZN3_L12 (x(Zn) 0.75) + TI3ZN22 (x(Zn) 0.88) + LIQUID (x(Zn) 0.94074)
TiZn-22Den.tdb	882.46	TIZN3_L12 (x(Zn) 0.75) + TI3ZN22 (x(Zn) 0.88) + LIQUID (x(Zn) 0.94063)
TiZn-22Den.tdb	882.46	TIZN3_L12 (x(Zn) 0.75) + TI3ZN22 (x(Zn) 0.88) + LIQUID (x(Zn) 0.94074)
TiZn-22Den.tdb	857.29	HCP_A3 (x(Zn) 0.11978) + BCC_A2 (x(Zn) 0.15081) + TI2ZN (x(Zn) 0.33333)
TiZn-22Den.tdb	857.29	HCP_A3 (x(Zn) 0.11963) + BCC_A2 (x(Zn) 0.15067) + TI2ZN (x(Zn) 0.33333)
TiZn-22Den.tdb	741.99	TI3ZN22 (x(Zn) 0.88) + TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.9907)
TiZn-22Den.tdb	741.99	TI3ZN22 (x(Zn) 0.88) + TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.99066)
TiZn-22Den.tdb	741.99	TI3ZN22 (x(Zn) 0.88) + TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.99073)
TiZn-22Den.tdb	691.79	TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.99841) + HCP_A3 (x(Zn) 0.99998)
TiZn-22Den.tdb	691.79	TIZN16 (x(Zn) 0.94118) + LIQUID (x(Zn) 0.99841) + HCP_A3 (x(Zn) 0.99998)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull TiZn-06Doi · CALPHAD hull TiZn-13Luo · CALPHAD hull TiZn-19Lia

Invariant reactions (literature)

Invariant reactions reported in the literature for the Ti–Zn system (1)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location	Quote
923.15	peritectic: L + TiZn2 ↔ TiZn3		model	[1] Doi 2006 cites Phase 1987	p. 4 report	According to the present experimental results, Murray's peritectic reaction, L + TiZn2 ↔ TiZn3 occurring at 650 °C,[8] was not observed.

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–Zn system (2)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location	Quote
TiZn		-25.4 kJ/mol-atom	0	DFT			[1] Doi 2006	Table 5, p. 7, row 2 report
TiZn3		-27 kJ/mol-atom	0	DFT			[1] Doi 2006	Table 5, p. 7, row 1 report

Sources

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

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-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}
}