Re-modeling of Laves phases in the Cr–Nb and Cr–Ta systems using first-principles results

J. Pavlů, J. Vřešt’ál, M. Šob

Calphad 33 (1) 179-186 (2009) · Elsevier BV

DOI: 10.1016/j.calphad.2008.04.006

Data: JSON record · id doi:10.1016/j.calphad.2008.04.006 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 111 released values
• cited as the original source of values
• assessment behind a TDB file: CrNb-09Pav.tdb (Cr–Nb), CrTa-09Pav.tdb (Cr–Ta)

Systems

Nb, Ta, Cr–Nb, Cr–Ta, Cr–Nb–Ta

Evidence in ORCHID

111 values read from this paper (111 accepted), from 6 tables and 0 text passages.

10 values in 1 other papers cite this work as their source.

Phase-registry phases citing it: phase:cr-nb:bcc-a2, phase:cr-nb:c14-laves, phase:cr-nb:c15-laves, phase:cr-nb:fcc-a1, phase:cr-nb:hcp-a3, phase:cr-nb:liquid, phase:cr-ta:bcc-a2, phase:cr-ta:c14-laves, phase:cr-ta:c15-laves, phase:cr-ta:fcc-a1, phase:cr-ta:hcp-a3, phase:cr-ta:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 48 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (30)

• Liquidus projection of the Cr–Nb–Ta system (2026) [crossref_reference_list]
• Experimental Investigation and Thermodynamic Description of the Co–Mo–Nb System (2023) [crossref_reference_list]
• A New Theoretical Study of the Cr-Nb System (2014) [crossref_reference_list]
• Experimental Study of the Cr-Hf-Nb System: Liquidus Projection and 1200 °C Isothermal Section (2020) [crossref_reference_list]
• Experimental Investigations of Phase Equilibria in the Ta-V-Cr Ternary System (2020) [crossref_reference_list]
• Phase Equilibria of the Al–Cr–Ta Ternary System at 1000 and 1200 °C (2021) [crossref_reference_list]
• Thermodynamic Assessment of the Co-Cr-Nb System (2021) [crossref_reference_list]
• Thermodynamic modeling of Laves phases in the Cr–Hf and Cr–Ti systems: Reassessment using first-principles results (2010) [crossref_reference_list]
• Thermodynamic modeling of Laves phases in the Ta–V system: Reassessment using first-principles results (2011) [crossref_reference_list]
• Thermodynamic modeling of Cr–Nb and Zr–Cr with extension to the ternary Zr–Nb–Cr system (2015) [crossref_reference_list]
• A thermodynamic evaluation of the C–Cr–Nb system (2016) [crossref_reference_list]
• Liquidus projection and thermodynamic modeling of the Cr-Fe-Nb ternary system (2016) [crossref_reference_list]
• Thermodynamic modelling of the Cr-Nb-Sn system (2017) [crossref_reference_list]
• Thermodynamic re-assessment of binary Cr-Nb system down to 0 K (2018) [crossref_reference_list]
• Combined experimental and CALPHAD investigation of equimolar AlCoCrFeNiX (X=Mo,Ta,W) High-Entropy Alloys (2024) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Thermodynamic modeling and ab initio calculations of the Cr–Hf–Nb system (2026) [crossref_reference_list]
• A thermodynamic modeling of the C–Cr–Ta ternary system (2011) [crossref_reference_list]
• The ternary Cr–Al–Nb phase diagram: Experimental investigations of isothermal sections at 1150, 1300 and 1450°C (2012) [crossref_reference_list]
• The liquidus surface of the Cr–Al–Nb system and re-investigation of the Cr–Nb and Al–Cr phase diagrams (2014) [crossref_reference_list]
• Experimental determination of the phase equilibria in the Co–Cr–Ta ternary system (2014) [crossref_reference_list]
• Thermodynamic description of the systems Co–Nb, Al–Nb and Co–Al–Nb (2015) [crossref_reference_list]
• On the constitution and thermodynamic modeling of the phase diagrams Nb-Mn and Ta-Mn (2021) [crossref_reference_list]
• Experimental investigation of phase equilibria in the Zr–Nb–Cr system at 1573 K and 1373 K (2015) [crossref_reference_list]
• Experimental determination of the thermodynamic properties of the Laves phases in the Cr–Fe–Nb system (2016) [crossref_reference_list]
• Prediction of the Phase Composition of High-Entropy Аlloys Based on Cr–Nb–Ti–V–Zr Using the Calphad Method (2019) [crossref_reference_list]
• Phase diagram calculations of Al–Cr–Nb–Ti quaternary system (2014) [crossref_reference_list]
• Experimental phase equilibria at 1500 °C and microhardness in the Cr–Ta–W system (2025) [crossref_reference_list]
• Third-Generation Thermodynamic Descriptions for Ta-Cr and Ta-V Binary Systems (2022) [crossref_reference_list]
• Isothermal Sections of the Ni-Cr-Ta Ternary System at 1200 °C and 1300 °C (2019) [crossref_reference_list]

References (Crossref, publisher-deposited) (12)

• Thermodynamic assessment of the Cr-Ta system (1993) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Thermodynamic optimisation of the Nb-Cr system (1993) [crossref_reference_list]
• Ab initio lattice stabilities of some elemental complex structures (2006) [crossref_reference_list]
• Phase stability and elastic moduli of Cr2Nb by first-principles calculations (1999) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
• Thermochemical properties of the laves phase, Cr2Ta (1964) [crossref_reference_list]
• Thermodynamic properties of TaCr ₂ and NbCr ₂ (1970) [crossref_reference_list]
• Electronic structure, ordering effects, phase stability, and magnetism in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Fe</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mi mathvariant="normal">−</mml:mi><mml:mi mathvariant="italic">x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math><mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Cr</mml:mi></mml:mrow><mml:mrow><mml:mi mathvariant="italic">x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>systems (1993) [crossref_reference_list]
• Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [crossref_reference_list]
• From ultrasoft pseudopotentials to the projector augmented-wave method (1999) [crossref_reference_list]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]

Cited for values by (1)

• A New Theoretical Study of the Cr-Nb System (2014) — 10 values [orchid_extraction]

Cites (values carry this citation) (2)

• Ab initio lattice stabilities of some elemental complex structures (2006) — 6 values [orchid_extraction]
• Thermodynamic properties of TaCr ₂ and NbCr ₂ (1970) — 1 values [orchid_extraction]

TDB files modelling its system (2)

• tdb:CrNb-09Pav.tdb [sgte_tdb_header]
• tdb:CrTa-09Pav.tdb [sgte_tdb_header]

Reassessed by (5)

• A New Theoretical Study of the Cr-Nb System (2014) [citation+same-system]
• Thermodynamic modeling of Cr–Nb and Zr–Cr with extension to the ternary Zr–Nb–Cr system (2015) [citation+same-system]
• A thermodynamic evaluation of the C–Cr–Nb system (2016) [citation+same-system]
• Thermodynamic modelling of the Cr-Nb-Sn system (2017) [citation+same-system]
• Thermodynamic re-assessment of binary Cr-Nb system down to 0 K (2018) [citation+same-system]

Reassesses (cites an earlier assessment of the same system) (2)

• Thermodynamic assessment of the Cr-Ta system (1993) [citation+same-system]
• Thermodynamic optimisation of the Nb-Cr system (1993) [citation+same-system]

Data papers used (2)

• Ab initio lattice stabilities of some elemental complex structures (2006) — 6 values [orchid_extraction]
• Thermodynamic properties of TaCr ₂ and NbCr ₂ (1970) — 1 values [orchid_extraction]

Used in (assessments / papers that took values from it) (1)

• A New Theoretical Study of the Cr-Nb System (2014) — 10 values [orchid_extraction]