Thermodynamic modeling of Mg–Ca–Ce system by combining first-principles and CALPHAD method

Hui Zhang, Yi Wang, Shunli Shang, Long-Qing Chen, Zi-Kui Liu

Journal of Alloys and Compounds 463 (1-2) 294-301 (2008) · Elsevier BV

DOI: 10.1016/j.jallcom.2007.09.020

Data: JSON record · id doi:10.1016/j.jallcom.2007.09.020 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 53 released values
• assessment behind a TDB file: CaCe-08Zha.tdb (Ca–Ce), CeMg-08Zha.tdb (Ce–Mg)
• discovery lead (found by Crossref assessment discovery, not read): rank 1966, score 56; systems named in title: Ca–Ce–Mg

Systems

Ca, Ce, Ca–Ce, Ce–Mg, Ca–Ce–Mg

Evidence in ORCHID

53 values read from this paper (53 accepted), from 4 tables and 1 text passages.

ESPEI datasets derived: 3 (invariants/CE-MG/CeMg-08Zha.zpf-00.json …).

Phase-registry phases citing it: phase:ca-ce:bcc-a2, phase:ca-ce:dhcp-a3, phase:ca-ce:fcc-a1, phase:ca-ce:hcp-a3, phase:ca-ce:liquid, phase:ce-mg:bcc-a2, phase:ce-mg:c15-mg2m, phase:ce-mg:cemg-b2, phase:ce-mg:d03-mg3m, phase:ce-mg:d2b-mg12r, phase:ce-mg:dhcp-a3, phase:ce-mg:fcc-a1, phase:ce-mg:hcp-a3, phase:ce-mg:liquid, phase:ce-mg:mg17r2, phase:ce-mg:mg41m5

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 25 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (7)

• First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009) [crossref_reference_list]
• Thermodynamic Description of Al-Si-Mg-Ce Quaternary System in Al-Rich Corner and Its Experimental Validation (2017) [crossref_reference_list]
• Phase Equilibria of the Mg-Gd-Ce System at 500 °C (2021) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Phase equilibria of Ce–Mg–Ni ternary system at 673 K and hydrogen storage properties of selected alloy (2016) [crossref_reference_list]
• Design of the rare-earth-containing materials based on the micro-alloying phase equilibria, phase diagrams and phase transformations (2023) [crossref_reference_list]
• Essential Magnesium Alloys Binary Phase Diagrams and Their Thermochemical Data (2014) [crossref_reference_list]

References (Crossref, publisher-deposited) (8)

• Thermodynamics of formation of compounds in the Ce-Mg, Nd-Mg, Gd-Mg, Dy-Mg, Er-Mg, and Lu-Mg binary systems in the temperature range 650°to 930°K (1972) [crossref_reference_list]
• Phase relations in the magnesium-rich portion of the cerium-magnesium system (1965) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Contribution of first-principles energetics to the Ca–Mg thermodynamic modeling (2006) [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]
• 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]

Cites (values carry this citation) (2)

• Berichtigung der Systeme Cer-Magnesium und Lanthan-Magnesium (1947) — 4 values [orchid_extraction]
• Phase relations in the magnesium-rich portion of the cerium-magnesium system (1965) — 3 values [orchid_extraction]

TDB files modelling its system (4)

• tdb:CaCe-08Zha.tdb [sgte_tdb_header]
• tdb:CaCe-08Zha.tdb [orchid_literature_model_link]
• tdb:CeMg-08Zha.tdb [orchid_literature_model_link]
• tdb:CeMg-08Zha.tdb [sgte_tdb_header]

Data papers used (2)

• Berichtigung der Systeme Cer-Magnesium und Lanthan-Magnesium (1947) — 4 values [orchid_extraction]
• Phase relations in the magnesium-rich portion of the cerium-magnesium system (1965) — 3 values [orchid_extraction]