Hf–Sn system

55 accepted literature values from 2 paper(s) (experimental 9, model 2, DFT 37, unspecified 7); 2 calculated phase diagram(s).

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (9) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	9
model	2
DFT	37
unspecified	7

Accepted values by property group
Property group	Values
invariant reaction	4
formation	12
crystal structure	39

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
HfSn-12Tan.tdb	C. Tang, B. Hu, Y. Du, D. Zhao, P. Zhou, F. Zheng, Q. Gao, J. Wang, Calphad, 39, 91-96(2012). doi:10.1016/j.calphad.2012.09.003	`6a3156ac006b45a5144b57c92e3352701bd9b6bf4bfb095b24d54c9f27a33a84`	viewer · TDB · JSON
HfSn-16Ber.tdb	A. Berche, J.C. Tedenac, P. Jund, Comput. Mater. Sci., 125, 271-77(2016). doi:10.1016/j.commatsci.2016.08.042	`8ebcf7873dc489e2ade2983f2aed3d28cac9df3c7945611b0407d68a8716c26d`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
HfSn-12Tan.tdb	2016.98	BCC_A2 (x(Sn) 0.15588) + LIQUID (x(Sn) 0.20658) + HF5SN3_D88 (x(Sn) 0.375)
HfSn-12Tan.tdb	2016.98	BCC_A2 (x(Sn) 0.15574) + LIQUID (x(Sn) 0.20647) + HF5SN3_D88 (x(Sn) 0.375)
HfSn-12Tan.tdb	2013.29	HF5SN3_D88 (x(Sn) 0.375) + HF5SN4 (x(Sn) 0.44444) + LIQUID (x(Sn) 0.60428)
HfSn-12Tan.tdb	2013.28	HF5SN3_D88 (x(Sn) 0.375) + HF5SN4 (x(Sn) 0.44444) + LIQUID (x(Sn) 0.60442)
HfSn-12Tan.tdb	1953.23	HCP_A3 (x(Sn) 0.14285) + BCC_A2 (x(Sn) 0.14485) + HF5SN3_D88 (x(Sn) 0.375)
HfSn-12Tan.tdb	1953.22	HCP_A3 (x(Sn) 0.14266) + BCC_A2 (x(Sn) 0.14466) + HF5SN3_D88 (x(Sn) 0.375)
HfSn-12Tan.tdb	1812.8	HF5SN4 (x(Sn) 0.44444) + HFSN2_C40 (x(Sn) 0.66667) + LIQUID (x(Sn) 0.77245)
HfSn-12Tan.tdb	1812.8	HF5SN4 (x(Sn) 0.44444) + HFSN2_C40 (x(Sn) 0.66667) + LIQUID (x(Sn) 0.7727)
HfSn-12Tan.tdb	1812.8	HF5SN4 (x(Sn) 0.44444) + HFSN2_C40 (x(Sn) 0.66667) + LIQUID (x(Sn) 0.77282)
HfSn-12Tan.tdb	505.08	HFSN2_C40 (x(Sn) 0.66667) + BCT_A5 (x(Sn) 1) + LIQUID (x(Sn) 1)
HfSn-16Ber.tdb	2051.52	BCC_A2 (x(Sn) 0.15052) + LIQUID (x(Sn) 0.2255) + HF5SN3_D88 (x(Sn) 0.37502)
HfSn-16Ber.tdb	2051.52	BCC_A2 (x(Sn) 0.15052) + LIQUID (x(Sn) 0.2255) + HF5SN3_D88 (x(Sn) 0.37502)
HfSn-16Ber.tdb	2025.62	HF5SN3_D88#2 (x(Sn) 0.37521) + HF5SN3_D88 (x(Sn) 0.44428) + LIQUID (x(Sn) 0.56569)
HfSn-16Ber.tdb	1960.71	HCP_A3 (x(Sn) 0.13125) + BCC_A2 (x(Sn) 0.13337) + HF5SN3_D88 (x(Sn) 0.37501)
HfSn-16Ber.tdb	1824.66	HF5SN3_D88 (x(Sn) 0.44441) + HFSN2_C40 (x(Sn) 0.66667) + LIQUID (x(Sn) 0.71774)
HfSn-16Ber.tdb	505.08	HFSN2_C40 (x(Sn) 0.66667) + BCT_A5 (x(Sn) 1) + LIQUID (x(Sn) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull HfSn-12Tan

Invariant reactions (literature)

Invariant reactions reported in the literature for the Hf–Sn system (4)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
1953.15	(βHf) ↔ (αHf) + Hf5Sn3	(βHf): Sn 0.15; (αHf): Sn 0.144; Hf5Sn3: Sn 0.375	experimental	[1] Tang 2012 cites Wasielewski 1964	Table 1, p. 2, row 1 report
1953.15	(βHf) ↔ (αHf) + Hf5Sn3	(βHf): Sn 0.1447; (αHf): Sn 0.1427; Hf5Sn3: Sn 0.375	model	[1] Tang 2012	Table 1, p. 2, row 3 report
1773.15	(βHf) ↔ (αHf) + Hf5Sn3	Hf5Sn3: Sn 0.375	experimental	[1] Tang 2012 cites Tsygamova 1971	Table 1, p. 2, row 2 report
505.15	Liquid ↔ HfSn2 + (βSn)	Liquid: Sn 1; HfSn2: Sn 0.6667; (βSn): Sn 1	model	[1] Tang 2012	Table 1, p. 2, row 12 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, Hf–Sn system (12)
Phase	Value	Class	Source	Location
40-HfSn	-28.18 kJ/mol (basis unstated)	DFT	[2] Berche 2016	Table 2, p. 4, row 16 report
B11-HfSn	-25.51 kJ/mol (basis unstated)	DFT	[2] Berche 2016	Table 2, p. 4, row 18 report
B20-HfSn	-28 kJ/mol (basis unstated)	DFT	[2] Berche 2016	Table 2, p. 4, row 17 report
B27-HfSn	-21.96 kJ/mol (basis unstated)	DFT	[2] Berche 2016	Table 2, p. 4, row 21 report
B33-HfSn	-20.38 kJ/mol (basis unstated)	DFT	[2] Berche 2016	Table 2, p. 4, row 22 report
B35-HfSn	1.62 kJ/mol (basis unstated)	DFT	[2] Berche 2016	Table 2, p. 4, row 24 report
Bh-HfSn	-26.64 kJ/mol (basis unstated)	DFT	[2] Berche 2016	Table 2, p. 4, row 19 report
Bx-HfSn	-20.07 kJ/mol (basis unstated)	DFT	[2] Berche 2016	Table 2, p. 4, row 23 report
D88-Hf5Sn3	-37.57 kJ/mol (basis unstated)	DFT	[2] Berche 2016	Table 2, p. 4, row 14 report
D88-Hf5Sn4	-39.24 kJ/mol (basis unstated)	DFT	[2] Berche 2016	Table 2, p. 4, row 15 report
HfSn2	-27.99 kJ/mol (basis unstated)	DFT	[2] Berche 2016	Table 2, p. 4, row 25 report
L10-HfSn	-22.76 kJ/mol (basis unstated)	DFT	[2] Berche 2016	Table 2, p. 4, row 20 report

Other properties

Crystal structure (39)

Crystal structure, Hf–Sn system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a printed: a	4.259 Å	0	40-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 16 report
Lattice a printed: a	3.906 Å	0	B11-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 18 report
Lattice a printed: a	5.668 Å	0	B20-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 17 report
Lattice a printed: a	7.251 Å	0	B27-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 21 report
Lattice a printed: a	4.109 Å	0	B33-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 22 report
Lattice a printed: a	5.7 Å	0	B35-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 24 report
Lattice a printed: a	3.244 Å	0	Bh-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 19 report
Lattice a printed: a	4.156 Å	0	Bx-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 23 report
Lattice a printed: a	8.441 Å	0	D88-Hf5Sn3 alloy: Sn 0.375	DFT	[2] Berche 2016	Table 2, p. 4, row 14 report
Lattice a printed: a	8.766 Å	0	D88-Hf5Sn4 alloy: Sn 0.444444	DFT	[2] Berche 2016	Table 2, p. 4, row 15 report
Lattice a	8.43 Å		Hf5Sn3 alloy: Sn 0.375	unspecified	[1] Tang 2012	Table 4, p. 5, row 9 report
Lattice a	8.752 Å		Hf5Sn4 alloy: Sn 0.444444	unspecified	[1] Tang 2012	Table 4, p. 5, row 11 report
Lattice a	5.657 Å		HfSn alloy: Sn 0.5	unspecified	[1] Tang 2012	Table 4, p. 5, row 5 report
Lattice a printed: a	5.54 Å	0	HfSn2 alloy: Sn 0.666667	DFT	[2] Berche 2016	Table 2, p. 4, row 25 report
Lattice a	5.534 Å		HfSn2 alloy: Sn 0.666667	unspecified	[1] Tang 2012	Table 4, p. 5, row 7 report
Lattice a printed: a	3.207 Å	0	L10-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 20 report
Lattice a	8.36 Å	298.15	Hf5Sn3 alloy: Sn 0.375	experimental	[1] Tang 2012 cites Tsygamova 1971	Table 4, p. 5, row 8 report
Lattice a	8.695 Å	298.15	Hf5Sn4 alloy: Sn 0.444444	experimental	[1] Tang 2012 cites Schubert 1962 doi	Table 4, p. 5, row 10 report
Lattice a	5.594 Å	298.15	HfSn alloy: Sn 0.5	experimental	[1] Tang 2012 cites Schob 1964 doi	Table 4, p. 5, row 4 report
Lattice a	5.47 Å	298.15	HfSn2 alloy: Sn 0.666667	experimental	[1] Tang 2012 cites Schubert 1962 doi	Table 4, p. 5, row 6 report
Lattice b printed: b	4.422 Å	0	B27-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 21 report
Lattice b printed: b	10.598 Å	0	B33-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 22 report
Lattice c printed: c	9.724 Å	0	40-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 16 report
Lattice c printed: c	5.981 Å	0	B11-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 18 report
Lattice c printed: c	5.664 Å	0	B27-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 21 report
Lattice c printed: c	4.222 Å	0	B33-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 22 report
Lattice c printed: c	5.312 Å	0	B35-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 24 report
Lattice c printed: c	4.902 Å	0	Bh-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 19 report
Lattice c printed: c	21.252 Å	0	Bx-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 23 report
Lattice c printed: c	5.728 Å	0	D88-Hf5Sn3 alloy: Sn 0.375	DFT	[2] Berche 2016	Table 2, p. 4, row 14 report
Lattice c printed: c	5.909 Å	0	D88-Hf5Sn4 alloy: Sn 0.444444	DFT	[2] Berche 2016	Table 2, p. 4, row 15 report
Lattice c	5.711 Å		Hf5Sn3 alloy: Sn 0.375	unspecified	[1] Tang 2012	Table 4, p. 5, row 9 report
Lattice c	5.903 Å		Hf5Sn4 alloy: Sn 0.444444	unspecified	[1] Tang 2012	Table 4, p. 5, row 11 report
Lattice c printed: c	7.768 Å	0	HfSn2 alloy: Sn 0.666667	DFT	[2] Berche 2016	Table 2, p. 4, row 25 report
Lattice c	7.674 Å		HfSn2 alloy: Sn 0.666667	unspecified	[1] Tang 2012	Table 4, p. 5, row 7 report
Lattice c printed: c	4.281 Å	0	L10-HfSn alloy: Sn 0.5	DFT	[2] Berche 2016	Table 2, p. 4, row 20 report
Lattice c	5.71 Å	298.15	Hf5Sn3 alloy: Sn 0.375	experimental	[1] Tang 2012 cites Tsygamova 1971	Table 4, p. 5, row 8 report
Lattice c	5.872 Å	298.15	Hf5Sn4 alloy: Sn 0.444444	experimental	[1] Tang 2012 cites Schubert 1962 doi	Table 4, p. 5, row 10 report
Lattice c	7.6 Å	298.15	HfSn2 alloy: Sn 0.666667	experimental	[1] Tang 2012 cites Schubert 1962 doi	Table 4, p. 5, row 6 report

Sources

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

Cai Tang, Biao Hu, Yong Du, Dongdong Zhao, Peng Zhou, Feng Zheng et al., Thermodynamic modeling of the Hf–Sn and Sn–Y systems, Calphad 39, 91-96 (2012). doi:10.1016/j.calphad.2012.09.003
A. Berche, J.C. Tédenac, P. Jund, Phase diagram and enthalpy of formation of Hf-Ni-Sn, Computational Materials Science 125, 271-277 (2016). doi:10.1016/j.commatsci.2016.08.042

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}
}