Thermodynamic re-modeling of the Yb-Sb system aided by first-principles calculations

Jorge Paz Soldan Palma (ORCID 0000-0002-9972-3692), XiaoYu Chong, Yi Wang, Shun-Li Shang, Zi-Kui Liu

Calphad 81 102541 (2023) · Elsevier BV

DOI: 10.1016/j.calphad.2023.102541

Data: JSON record · id doi:10.1016/j.calphad.2023.102541 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 36 released values
• assessment behind a TDB file: SbYb-23Paz.tdb (Sb–Yb)

Systems

Sb–Yb

Evidence in ORCHID

36 values read from this paper (31 accepted), from 2 tables and 5 text passages.

ESPEI datasets derived: 16 (derived/invariant-brackets/SB-YB/SbYb-23Paz.zpf-00.json …).

Phase-registry phases citing it: phase:sb-yb:a7-rhombohedral, phase:sb-yb:bcc-a2, phase:sb-yb:fcc-a1, phase:sb-yb:hcp-a3, phase:sb-yb:liquid, phase:sb-yb:sb10yb11, phase:sb-yb:sb11yb16, phase:sb-yb:sb2yb-c49, phase:sb-yb:sb3yb4-d73, phase:sb-yb:sb3yb5-d88, phase:sb-yb:sbyb-b1

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) (1)

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

References (Crossref, publisher-deposited) (18)

• Rate of Sublimation of Yb14MnSb11, a Thermoelectric Material for Space Power Applications (2014) [crossref_reference_list]
• 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]
• Computational thermodynamics and its applications (2020) [crossref_reference_list]
• Thermodynamic properties of the Yb-Sb system predicted from first-principles calculations (2021) [crossref_reference_list]
• Thermodynamic modelling of the Zn–Zr system (2006) [crossref_reference_list]
• Thermodynamic assessment of the Ho–Sb and Sb–Yb systems (2012) [crossref_reference_list]
• First-principles calculations and thermodynamic modeling of the Sn−Sr and Mg−Sn−Sr systems (2014) [crossref_reference_list]
• Thermodynamic properties and phase stability of the Ba-Bi system: A combined computational and experimental study (2019) [crossref_reference_list]
• Hydrogen in Polar Intermetallics. Binary Pnictides of Divalent Metals with Mn₅Si₃-type Structures and Their Isotypic Ternary Hydride Solutions (2006) [crossref_reference_list]
• Phase equilibriums and crystal chemistry of the intermediate phases in the ytterbium-antimony system (1967) [crossref_reference_list]
• Phase Relations and Properties of Alloys in the Tm–Bi System (2003) [crossref_reference_list]
• Magnetic and Electrical Properties of Some Yb–Sb Phases (1968) [crossref_reference_list]
• Commentary: The Materials Project: A materials genome approach to accelerating materials innovation (2013) [crossref_reference_list]
• Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [crossref_reference_list]
• <i>Ab initio</i>theory of valency in ytterbium compounds (2000) [crossref_reference_list]
• XPS and UPS Studies of Valence Fluctuation and Surface States of Yb₄As₃, Yb₄Sb₃and Yb₄Bi₃ (1989) [crossref_reference_list]

Cites (values carry this citation) (6)

• Thermodynamic properties of the Yb-Sb system predicted from first-principles calculations (2021) — 12 values [orchid_extraction]
• Magnetic and Electrical Properties of Some Yb–Sb Phases (1968) — 9 values [orchid_extraction]
• Phase equilibriums and crystal chemistry of the intermediate phases in the ytterbium-antimony system (1967) — 4 values [orchid_extraction]
• XPS and UPS Studies of Valence Fluctuation and Surface States of Yb₄As₃, Yb₄Sb₃and Yb₄Bi₃ (1989) — 2 values [orchid_extraction]
• Rate of Sublimation of Yb14MnSb11, a Thermoelectric Material for Space Power Applications (2014) — 1 values [orchid_extraction]
• <i>Ab initio</i>theory of valency in ytterbium compounds (2000) — 1 values [orchid_extraction]

TDB files modelling its system (2)

• tdb:SbYb-23Paz.tdb [sgte_tdb_header]
• tdb:SbYb-23Paz.tdb [orchid_literature_model_link]

Reassesses (cites an earlier assessment of the same system) (1)

• Thermodynamic assessment of the Ho–Sb and Sb–Yb systems (2012) [citation+same-system]

Data papers used (6)

• Thermodynamic properties of the Yb-Sb system predicted from first-principles calculations (2021) — 12 values [orchid_extraction]
• Magnetic and Electrical Properties of Some Yb–Sb Phases (1968) — 9 values [orchid_extraction]
• Phase equilibriums and crystal chemistry of the intermediate phases in the ytterbium-antimony system (1967) — 4 values [orchid_extraction]
• XPS and UPS Studies of Valence Fluctuation and Surface States of Yb₄As₃, Yb₄Sb₃and Yb₄Bi₃ (1989) — 2 values [orchid_extraction]
• Rate of Sublimation of Yb14MnSb11, a Thermoelectric Material for Space Power Applications (2014) — 1 values [orchid_extraction]
• <i>Ab initio</i>theory of valency in ytterbium compounds (2000) — 1 values [orchid_extraction]