Sn–Ta system

38 accepted literature values from 1 paper(s) (experimental 9, DFT 29); 1 calculated phase diagram(s). 5 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 (8) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	9
DFT	29

Accepted values by property group
Property group	Values
crystal structure	33
other property	5

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
SnTa-17Mar.tdb	C. Marker, S.-L. Shang, X.L. Liu, G. Lindwall, Z.-K. Liu, Calphad, 57, 46-54(2017). doi:10.1016/j.calphad.2017.03.001	`4d476a22b1bb7fca63f77d343e74ed28f190cdde477dd4edaf9a14e331a2b0ad`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
SnTa-17Mar.tdb	2884.81	LIQUID (x(Ta) 0.7413) + SNTA3_A15 (x(Ta) 0.75) + BCC_A2 (x(Ta) 0.91447)
SnTa-17Mar.tdb	870.21	LIQUID (x(Ta) 0.01811) + SN2TA_CB (x(Ta) 0.33333) + SNTA3_A15 (x(Ta) 0.75)
SnTa-17Mar.tdb	870.21	LIQUID (x(Ta) 0.01816) + SN2TA_CB (x(Ta) 0.33333) + SNTA3_A15 (x(Ta) 0.75)
SnTa-17Mar.tdb	505.06	BCT_A5 (x(Ta) 0) + LIQUID (x(Ta) 7.000e-5) + SN2TA_CB (x(Ta) 0.33333)
SnTa-17Mar.tdb	505.06	BCT_A5 (x(Ta) 0) + LIQUID (x(Ta) 7.000e-5) + SN2TA_CB (x(Ta) 0.33333)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Other properties

Crystal structure (33)

Crystal structure, Sn–Ta system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	5.641 Å	0	TaSn2 alloy: Ta 0.333333	DFT	[1] Marker 2017	Table 1, p. 12, row 11 report
Lattice a	5.319 Å	298.15	Ta3Sn alloy: Ta 0.75	DFT	[1] Marker 2017	Table 1, p. 12, row 16 report
Lattice a	5.304 Å	298.15	Ta3Sn alloy: Ta 0.75	DFT	[1] Marker 2017	Table 1, p. 12, row 15 report
Lattice a	5.29 Å	298.15	Ta3Sn alloy: Ta 0.75	experimental	[1] Marker 2017 cites ref. 17	Table 1, p. 12, row 18 report
Lattice a	5.652 Å	298.15	TaSn2 alloy: Ta 0.333333	DFT	[1] Marker 2017	Table 1, p. 12, row 13 report
Lattice a	5.63 Å	298.15	TaSn2 alloy: Ta 0.333333	experimental	[1] Marker 2017 cites ref. 39	Table 1, p. 12, row 14 report
Lattice a	5.939 Å	298.15	bct-Sn alloy: Ta 0	DFT	[1] Marker 2017	Table 1, p. 12, row 6 report
Lattice a	5.93 Å	298.15	bct-Sn alloy: Ta 0	DFT	[1] Marker 2017 cites ref. 38	Table 1, p. 12, row 10 report
Lattice a	5.83 Å	298.15	bct-Sn alloy: Ta 0	experimental	[1] Marker 2017 cites ref. 37	Table 1, p. 12, row 9 report
Lattice a	5.959 Å	298.15	bct-Sn alloy: Ta 0	DFT	[1] Marker 2017	Table 1, p. 12, row 7 report
Lattice a	5.954 Å	298.15	bct-Sn alloy: Ta 0	DFT	[1] Marker 2017	Table 1, p. 12, row 8 report
Lattice b	9.766 Å	0	TaSn2 alloy: Ta 0.333333	DFT	[1] Marker 2017	Table 1, p. 12, row 11 report
Lattice b	9.785 Å	298.15	TaSn2 alloy: Ta 0.333333	DFT	[1] Marker 2017	Table 1, p. 12, row 13 report
Lattice b	9.786 Å	298.15	TaSn2 alloy: Ta 0.333333	DFT	[1] Marker 2017	Table 1, p. 12, row 12 report
Lattice b	9.8 Å	298.15	TaSn2 alloy: Ta 0.333333	experimental	[1] Marker 2017 cites ref. 39	Table 1, p. 12, row 14 report
Lattice c	19.2 Å	0	TaSn2 alloy: Ta 0.333333	DFT	[1] Marker 2017	Table 1, p. 12, row 11 report
Lattice c	19.238 Å	298.15	TaSn2 alloy: Ta 0.333333	DFT	[1] Marker 2017	Table 1, p. 12, row 13 report
Lattice c	19.18 Å	298.15	TaSn2 alloy: Ta 0.333333	experimental	[1] Marker 2017 cites ref. 39	Table 1, p. 12, row 14 report
Lattice c	3.214 Å	298.15	bct-Sn alloy: Ta 0	DFT	[1] Marker 2017	Table 1, p. 12, row 6 report
Lattice c	3.23 Å	298.15	bct-Sn alloy: Ta 0	DFT	[1] Marker 2017 cites ref. 38	Table 1, p. 12, row 10 report
Lattice c	3.18 Å	298.15	bct-Sn alloy: Ta 0	experimental	[1] Marker 2017 cites ref. 37	Table 1, p. 12, row 9 report
Lattice c	3.236 Å	298.15	bct-Sn alloy: Ta 0	DFT	[1] Marker 2017	Table 1, p. 12, row 7 report
Lattice c	3.222 Å	298.15	bct-Sn alloy: Ta 0	DFT	[1] Marker 2017	Table 1, p. 12, row 8 report
Molar volume printed: V	18.668 Å³/atom	0	Ta3Sn alloy: Ta 0.75	DFT	[1] Marker 2017	Table 2, p. 13, row 8 report
Molar volume printed: V	22.631 Å³/atom	0	TaSn2 alloy: Ta 0.333333	DFT	[1] Marker 2017	Table 2, p. 13, row 7 report
Molar volume printed: V	27.055 Å³/atom		bct-Sn alloy: Ta 0	experimental	[1] Marker 2017 cites ref. 40	Table 2, p. 13, row 5 report
Molar volume printed: V	28.431 Å³/atom	0	bct-Sn alloy: Ta 0	DFT	[1] Marker 2017	Table 2, p. 13, row 4 report
Molar volume printed: V	28.396 Å³/atom	0	bct-Sn alloy: Ta 0	DFT	[1] Marker 2017 cites ref. 40	Table 2, p. 13, row 6 report
volume printed: V	18.668 Å3/atom	0	Ta3Sn alloy: Ta 0.75	DFT	[1] Marker 2017	Table 2, p. 13, row 8 report
volume printed: V	22.631 Å3/atom	0	TaSn2 alloy: Ta 0.333333	DFT	[1] Marker 2017	Table 2, p. 13, row 7 report
volume printed: V	27.055 Å3/atom		bct-Sn alloy: Ta 0	experimental	[1] Marker 2017 cites ref. 40	Table 2, p. 13, row 5 report
volume printed: V	28.431 Å3/atom	0	bct-Sn alloy: Ta 0	DFT	[1] Marker 2017	Table 2, p. 13, row 4 report
volume printed: V	28.396 Å3/atom	0	bct-Sn alloy: Ta 0	DFT	[1] Marker 2017 cites ref. 40	Table 2, p. 13, row 6 report

Other property (5)

Other property, Sn–Ta system
Property	Value	T (K)	Phases / composition	Class	Source	Location
bulk modulus printed: B	182.4 GPa	0	Ta3Sn alloy: Ta 0.75	DFT	[1] Marker 2017	Table 2, p. 13, row 8 report
bulk modulus printed: B	104.3 GPa	0	TaSn2 alloy: Ta 0.333333	DFT	[1] Marker 2017	Table 2, p. 13, row 7 report
bulk modulus printed: B	58 GPa		bct-Sn alloy: Ta 0	experimental	[1] Marker 2017 cites ref. 40	Table 2, p. 13, row 5 report
bulk modulus printed: B	47.7 GPa	0	bct-Sn alloy: Ta 0	DFT	[1] Marker 2017	Table 2, p. 13, row 4 report
bulk modulus printed: B	54 GPa	0	bct-Sn alloy: Ta 0	DFT	[1] Marker 2017 cites ref. 40	Table 2, p. 13, row 6 report

Sources

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

Cassie Marker, ShunLi Shang, Xuan L. Liu, Greta Lindwall, Zi-Kui Liu, First-principles calculations and thermodynamic modeling of the Sn-Ta system, Calphad 57, 46-54 (2017). doi:10.1016/j.calphad.2017.03.001

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}
}