Thermodynamic Study of Er-Bi and Er-Te Systems by Combination of First-Principles Calculations and the CALPHAD Method

S. Bennoui, Y. Djaballah, V. Vassiliev, A. Belgacem-Bouzida

Journal of Phase Equilibria and Diffusion 43 (2) 126-138 (2022) · Springer Science and Business Media LLC

DOI: 10.1007/s11669-022-00947-8

Data: JSON record · id doi:10.1007/s11669-022-00947-8 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 188 released values
• assessment behind a TDB file: BiEr-22Ben.tdb (Bi–Er), ErTe-22Ben.tdb (Er–Te)

Systems

Bi, Er, Te, Bi–Er, Er–Te

Evidence in ORCHID

188 values read from this paper (185 accepted), from 5 tables and 12 text passages.

ESPEI datasets derived: 20 (derived/invariant-brackets/BI-ER/BiEr-22Ben.zpf-00.json …).

Phase-registry phases citing it: phase:bi-er:a7-rhombohedral, phase:bi-er:bcc-a2, phase:bi-er:bi2er, phase:bi-er:bi3er5, phase:bi-er:bier, phase:bi-er:bier-b1, phase:bi-er:fcc-a1, phase:bi-er:hcp-a3, phase:bi-er:liquid, phase:er-te:a8-hexagonal, phase:er-te:bcc-a2, phase:er-te:er2te3, phase:er-te:erte-b1, phase:er-te:erte3, phase:er-te:fcc-a1, phase:er-te:hcp-a3, phase:er-te:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 3 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (1)

• The SGTE collection of binary datasets (2025) [crossref_reference_list]

References (Crossref, publisher-deposited) (31)

• Bi-Er (bismuth-erbium) (1997) [crossref_reference_list]
• Contribution to the thermochemistry of rare earth pnictides: The Sm-Bi system (1993) [crossref_reference_list]
• Thermodynamic properties of erbium monobismuthide (2011) [crossref_reference_list]
• First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009) [crossref_reference_list]
• Thermodynamic Assessments of the Bi-Tb and Bi-Y Systems (2011) [crossref_reference_list]
• Thermodynamic Modeling of the La-B and La-Bi Systems Supported by First-Principles Calculations (2013) [crossref_reference_list]
• Structure and electrical properties of some new rare earth arsenides, antimonides and tellurides (1960) [crossref_reference_list]
• Rare-earth bismuthides (1975) [crossref_reference_list]
• Enthalpies of formation of liquid and solid binary alloys of lead, antimony and bismuth with rare earth elements (1984) [crossref_reference_list]
• The Thermo-Calc databank system (1985) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Thermodynamic assessment of the Gd–Bi and the Ho–Bi systems (2013) [crossref_reference_list]
• Thermodynamic description of the Bi–Cs and Bi–Tm system supported by first-principles calculations (2015) [crossref_reference_list]
• A New Approach for the Study of Thermodynamic Properties of Lanthanide Compounds (2016) [crossref_reference_list]
• Thermodynamic assessments of the Bi–Nd and Bi–Tm systems (2010) [crossref_reference_list]
• Thermodynamic properties of fission products (Pr, Ce, Er) in liquid bismuth by thermodynamic assessment (2017) [crossref_reference_list]
• Thermodynamic assessment of the Bi–Er and the Bi–Dy systems (2013) [crossref_reference_list]
• Structure and magnetism of R5Bi3 (R=Tb, Dy, Ho, Er) and Tb4Bi3 (2001) [crossref_reference_list]
• AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis (2018) [crossref_reference_list]
• The Phase Equilibria and Crystal Chemistry of the Rare Earth Group VI Systems. II. Erbium-Tellurium (1965) [crossref_reference_list]
• High-pressure, high-temperature syntheses of selected lanthanide-tellurium compounds (1970) [crossref_reference_list]
• The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) [crossref_reference_list]
• Commentary: The Materials Project: A materials genome approach to accelerating materials innovation (2013) [crossref_reference_list]
• Crystallography and magnetism of the heavy-fermion compound YbBiPt (1994) [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]
• X-ray diffraction study of elemental erbium to <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:mrow> <mml:mn>70</mml:mn> <mml:mspace width="0.3em"/> <mml:mi>GPa</mml:mi> </mml:mrow> </mml:math> (2005) [crossref_reference_list]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
• Structure and Electronic Properties of Te–Se Mixtures under High Pressure (1995) [crossref_reference_list]
• The Investigation of Phase Diagrams of Erbium Pnictides (2002) [crossref_reference_list]
• Thermodynamic investigations of the erbium tellurides by EMF method (2020) [crossref_reference_list]

Cites (values carry this citation) (17)

• Thermodynamic assessment of the Bi–Er and the Bi–Dy systems (2013) — 19 values [orchid_extraction]
• The Investigation of Phase Diagrams of Erbium Pnictides (2002) — 9 values [orchid_extraction]
• The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) — 6 values [orchid_extraction]
• Commentary: The Materials Project: A materials genome approach to accelerating materials innovation (2013) — 6 values [orchid_extraction]
• Thermodynamic properties of fission products (Pr, Ce, Er) in liquid bismuth by thermodynamic assessment (2017) — 5 values [orchid_extraction]
• Rare-earth bismuthides (1975) — 3 values [orchid_extraction]
• Enthalpies of formation of liquid and solid binary alloys of lead, antimony and bismuth with rare earth elements (1984) — 3 values [orchid_extraction]
• Structure and magnetism of R5Bi3 (R=Tb, Dy, Ho, Er) and Tb4Bi3 (2001) — 3 values [orchid_extraction]
• The Phase Equilibria and Crystal Chemistry of the Rare Earth Group VI Systems. II. Erbium-Tellurium (1965) — 3 values [orchid_extraction]
• High-pressure, high-temperature syntheses of selected lanthanide-tellurium compounds (1970) — 3 values [orchid_extraction]
• Crystallography and magnetism of the heavy-fermion compound YbBiPt (1994) — 3 values [orchid_extraction]
• X-ray diffraction study of elemental erbium to <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:mrow> <mml:mn>70</mml:mn> <mml:mspace width="0.3em"/> <mml:mi>GPa</mml:mi> </mml:mrow> </mml:math> (2005) — 3 values [orchid_extraction]
• Structure and Electronic Properties of Te–Se Mixtures under High Pressure (1995) — 3 values [orchid_extraction]
• Thermodynamic investigations of the erbium tellurides by EMF method (2020) — 3 values [orchid_extraction]
• Contribution to the thermochemistry of rare earth pnictides: The Sm-Bi system (1993) — 1 values [orchid_extraction]
• Thermodynamic properties of erbium monobismuthide (2011) — 1 values [orchid_extraction]
• A New Approach for the Study of Thermodynamic Properties of Lanthanide Compounds (2016) — 1 values [orchid_extraction]

TDB files modelling its system (3)

• tdb:BiEr-22Ben.tdb [orchid_literature_model_link]
• tdb:BiEr-22Ben.tdb [sgte_tdb_header]
• tdb:ErTe-22Ben.tdb [sgte_tdb_header]

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

• Thermodynamic properties of fission products (Pr, Ce, Er) in liquid bismuth by thermodynamic assessment (2017) [citation+same-system]
• Thermodynamic assessment of the Bi–Er and the Bi–Dy systems (2013) [citation+same-system]

Data papers used (17)

• Thermodynamic assessment of the Bi–Er and the Bi–Dy systems (2013) — 19 values [orchid_extraction]
• The Investigation of Phase Diagrams of Erbium Pnictides (2002) — 9 values [orchid_extraction]
• The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) — 6 values [orchid_extraction]
• Commentary: The Materials Project: A materials genome approach to accelerating materials innovation (2013) — 6 values [orchid_extraction]
• Thermodynamic properties of fission products (Pr, Ce, Er) in liquid bismuth by thermodynamic assessment (2017) — 5 values [orchid_extraction]
• Rare-earth bismuthides (1975) — 3 values [orchid_extraction]
• Enthalpies of formation of liquid and solid binary alloys of lead, antimony and bismuth with rare earth elements (1984) — 3 values [orchid_extraction]
• Structure and magnetism of R5Bi3 (R=Tb, Dy, Ho, Er) and Tb4Bi3 (2001) — 3 values [orchid_extraction]
• The Phase Equilibria and Crystal Chemistry of the Rare Earth Group VI Systems. II. Erbium-Tellurium (1965) — 3 values [orchid_extraction]
• High-pressure, high-temperature syntheses of selected lanthanide-tellurium compounds (1970) — 3 values [orchid_extraction]
• Crystallography and magnetism of the heavy-fermion compound YbBiPt (1994) — 3 values [orchid_extraction]
• X-ray diffraction study of elemental erbium to <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:mrow> <mml:mn>70</mml:mn> <mml:mspace width="0.3em"/> <mml:mi>GPa</mml:mi> </mml:mrow> </mml:math> (2005) — 3 values [orchid_extraction]
• Structure and Electronic Properties of Te–Se Mixtures under High Pressure (1995) — 3 values [orchid_extraction]
• Thermodynamic investigations of the erbium tellurides by EMF method (2020) — 3 values [orchid_extraction]
• Contribution to the thermochemistry of rare earth pnictides: The Sm-Bi system (1993) — 1 values [orchid_extraction]
• Thermodynamic properties of erbium monobismuthide (2011) — 1 values [orchid_extraction]
• A New Approach for the Study of Thermodynamic Properties of Lanthanide Compounds (2016) — 1 values [orchid_extraction]