First-principles calculations and thermodynamic modeling of the Sn-Ta system

Cassie Marker, ShunLi Shang, Xuan L. Liu, Greta Lindwall, Zi-Kui Liu

Calphad 57 46-54 (2017) · Elsevier BV

DOI: 10.1016/j.calphad.2017.03.001

Data: JSON record · id doi:10.1016/j.calphad.2017.03.001 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 57 released values
• assessment behind a TDB file: SnTa-17Mar.tdb (Sn–Ta)

Systems

Ta, Sn–Ta

Evidence in ORCHID

57 values read from this paper (52 accepted), from 2 tables and 5 text passages.

Phase-registry phases citing it: phase:sn-ta:a4-diamond, phase:sn-ta:a5-bct, phase:sn-ta:bcc-a2, phase:sn-ta:fcc-a1, phase:sn-ta:hcp-a3, phase:sn-ta:liquid, phase:sn-ta:sn2ta-cb, phase:sn-ta:snta3-a15

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 5 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (2)

• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Thermodynamic Assessment of Bio-Oriented Ti-Ta-Sn System (2021) [crossref_reference_list]

References (Crossref, publisher-deposited) (15)

• First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations (2004) [crossref_reference_list]
• Ab initio lattice stability in comparison with CALPHAD lattice stability (2004) [crossref_reference_list]
• Thermodynamic modelling of the Zn–Zr system (2006) [crossref_reference_list]
• Phase stability and thermodynamic modeling of the Re–Ti system supplemented by first-principles calculations (2012) [crossref_reference_list]
• First-principles aided thermodynamic modeling of the Nb–Re system (2013) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
• Special points for Brillouin-zone integrations (1976) [crossref_reference_list]
• From ultrasoft pseudopotentials to the projector augmented-wave method (1999) [crossref_reference_list]
• Intermetallics in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>Mg</mml:mi><mml:mtext>−</mml:mtext><mml:mi>Ca</mml:mi><mml:mtext>−</mml:mtext><mml:mi>Sn</mml:mi></mml:mrow></mml:math>ternary system: Structural, vibrational, and thermodynamic properties from first principles (2006) [crossref_reference_list]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
• Reassessment of the Nb-Sn system (2002) [crossref_reference_list]
• Sn-Ta (Tin-Tantalum) (2003) [crossref_reference_list]
• Thermodynamic assessment of the Nb-Sn system (1998) [crossref_reference_list]

TDB files modelling its system (1)

• tdb:SnTa-17Mar.tdb [sgte_tdb_header]