Thermodynamic Modeling of the (Ce and Sm)-Ru Binary Systems Based on Linear, Exponential, and Combined Models Aided by Ab-Initio Calculations

S. Kardellass (ORCID 0000-0001-7602-754X), C. Corvalan-Moya, V. P. Vassiliev

Journal of Phase Equilibria and Diffusion 44 (2) 300-323 (2023) · Springer Science and Business Media LLC

DOI: 10.1007/s11669-023-01043-1

Data: JSON record · id doi:10.1007/s11669-023-01043-1 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 277 released values
• assessment behind a TDB file: CeRu-23Kar.tdb (Ce–Ru), RuSm-23Kar.tdb (Ru–Sm)

Systems

Sm, Ce–Ru, Ru–Sm, Ce–Ru–Sm

Evidence in ORCHID

277 values read from this paper (272 accepted), from 2 tables and 3 text passages.

ESPEI datasets derived: 2 (dft/literature/CE-RU/CeRu-23Kar.CE16RU9.json …).

Phase-registry phases citing it: phase:ce-ru:bcc-a2, phase:ce-ru:ce16ru9, phase:ce-ru:ce3ru-d011, phase:ce-ru:ce4ru3, phase:ce-ru:ce7ru3-d102, phase:ce-ru:ceru2-c15, phase:ce-ru:fcc-a1, phase:ce-ru:hcp-a3, phase:ce-ru:liquid, phase:ru-sm:bcc-a2, phase:ru-sm:fcc-a1, phase:ru-sm:hcp-a3, phase:ru-sm:liquid, phase:ru-sm:rhomb-c19, phase:ru-sm:ru25sm44, phase:ru-sm:ru2sm-c15, phase:ru-sm:ru2sm5, phase:ru-sm:rusm3-d011

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 1 (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) (21)

• The Ruthenium–Yttrium System: An Experimental Calorimetric Study with a Phase Diagram Optimization (1998) [crossref_reference_list]
• Ru-Sm (Ruthenium-Samarium) (1991) [crossref_reference_list]
• Nano-Calphad: extension of the Calphad method to systems with nano-phases and complexions (2012) [crossref_reference_list]
• Excess Thermodynamic Properties of Solutions in Ln-Ru (Ln = Nd, Gd, Dy) Binary Systems Based on Quadratic, Exponential and Combined Models Supported by Ab-Initio Calculations (2023) [crossref_reference_list]
• Die legierungen des rutheniums mit gadolinium und dysprosium und ihre magnetischen eigenschaften (1976) [crossref_reference_list]
• The phase diagrams of the La-Ru and Nd-Ru systems (1990) [crossref_reference_list]
• The Thermo-Calc databank system (1985) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• The phase diagram of the Ce-Ru system (1991) [crossref_reference_list]
• Standard enthalpies of formation of lanthanum alloys, La + Me (MeRu, Rh, Pd, Os, Ir, Pt), by high-temperature calorimetry (1993) [crossref_reference_list]
• A new equation for the temperature dependence of the excess Gibbs energy of solution phases (2004) [crossref_reference_list]
• Predicting the formation enthalpies of binary intermetallic compounds (2007) [crossref_reference_list]
• Mod�lisation num�rique du systeme La-Ru (1999) [crossref_reference_list]
• Optimization of the binary Ce–Ru system (1998) [crossref_reference_list]
• AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis (2018) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
• The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) [crossref_reference_list]
• The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design (2020) [crossref_reference_list]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
• Standard Enthalpies of Formation of Cerium Alloys, Ce + Me (Me = Ru, Rh, Pd, Ir, Pt) and of Lutetium Alloys, Lu + Me (Me = Rh, Pd, Ir, Pt) by Hightemperature Calorimetry (1993) [crossref_reference_list]
• New Features of Entall Database: Comparison of Experimental and Model Formation Enthalpies/ Nowe Funkcje Bazy Danych Entall: Porównanie Doświadczalnych I Modelowych Entalpii Tworzenia (2014) [crossref_reference_list]

Cites (values carry this citation) (7)

• Optimization of the binary Ce–Ru system (1998) — 42 values [orchid_extraction]
• Predicting the formation enthalpies of binary intermetallic compounds (2007) — 13 values [orchid_extraction]
• The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) — 10 values [orchid_extraction]
• AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis (2018) — 5 values [orchid_extraction]
• The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design (2020) — 2 values [orchid_extraction]
• Standard Enthalpies of Formation of Cerium Alloys, Ce + Me (Me = Ru, Rh, Pd, Ir, Pt) and of Lutetium Alloys, Lu + Me (Me = Rh, Pd, Ir, Pt) by Hightemperature Calorimetry (1993) — 2 values [orchid_extraction]
• The phase diagram of the Ce-Ru system (1991) — 1 values [orchid_extraction]

TDB files modelling its system (2)

• tdb:CeRu-23Kar.tdb [sgte_tdb_header]
• tdb:RuSm-23Kar.tdb [sgte_tdb_header]

Data papers used (7)

• Optimization of the binary Ce–Ru system (1998) — 42 values [orchid_extraction]
• Predicting the formation enthalpies of binary intermetallic compounds (2007) — 13 values [orchid_extraction]
• The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) — 10 values [orchid_extraction]
• AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis (2018) — 5 values [orchid_extraction]
• The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design (2020) — 2 values [orchid_extraction]
• Standard Enthalpies of Formation of Cerium Alloys, Ce + Me (Me = Ru, Rh, Pd, Ir, Pt) and of Lutetium Alloys, Lu + Me (Me = Rh, Pd, Ir, Pt) by Hightemperature Calorimetry (1993) — 2 values [orchid_extraction]
• The phase diagram of the Ce-Ru system (1991) — 1 values [orchid_extraction]