Ca–Ce system

27 accepted literature values from 2 paper(s) (experimental 8, model 6, DFT 13); 2 calculated phase diagram(s). 6 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (5) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	8
model	6
DFT	13

Accepted values by property group
Property group	Values
invariant reaction	12
phase transition	1
mixing / partial	12
crystal structure	2

Calculated phase diagrams

Binary phase diagrams calculated with pycalphad 0.11.2 from the SGTE binary collection (Hallstedt 2025, CC BY 4.0). Evidence class: model.

Assessments with a calculated phase diagram
TDB file	Assessment	SHA-256	Links
CaCe-07Ham.tdb	M. Hampl, J. Groebner, R. Schmid-Fetzer, J. Mater. Sci., 42, 10023-31(2007). doi:10.1007/s10853-007-2002-2	`c783a715a2b1db9f1e667cd9cd9858db3086dd2c0a2c66fa74898e1cbeabe0e7`	viewer · TDB · JSON
CaCe-08Zha.tdb	H. Zhang, Y. Wang, S. Shang, L.-Q. Chen, Z.-K. Liu, J. Alloys Compd., 463, 294-301(2008). doi:10.1016/j.jallcom.2007.09.020	`e5b5b58aa607f94b67a4cff28f58070d8665ea36dfb6451561fb51e2bb899fc4`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
CaCe-07Ham.tdb	1123.38	LIQUID#2 (x(Ce) 0.01968) + BCC_A2 (x(Ce) 0.02761) + LIQUID (x(Ce) 0.98032)
CaCe-07Ham.tdb	1084.67	BCC_A2 (x(Ce) 0.02431) + BCC_A2#2 (x(Ce) 0.97569) + LIQUID (x(Ce) 0.98387)
CaCe-07Ham.tdb	993.34	BCC_A2#2 (x(Ce) 0.01631) + BCC_A2 (x(Ce) 0.98369) + FCC_A1 (x(Ce) 0.98638)
CaCe-07Ham.tdb	715.65	FCC_A1#2 (x(Ce) 0.00242) + BCC_A2 (x(Ce) 0.00251) + FCC_A1 (x(Ce) 0.99758)
CaCe-08Zha.tdb	1105.66	BCC_A2 (x(Ce) 9.000e-5) + LIQUID#2 (x(Ce) 0.00821) + LIQUID (x(Ce) 0.99179)
CaCe-08Zha.tdb	1105.66	BCC_A2 (x(Ce) 9.000e-5) + LIQUID (x(Ce) 0.00821) + LIQUID#2 (x(Ce) 0.99179)
CaCe-08Zha.tdb	1061.45	BCC_A2#2 (x(Ce) 6.000e-5) + LIQUID (x(Ce) 0.99366) + BCC_A2 (x(Ce) 0.99994)
CaCe-08Zha.tdb	1061.45	BCC_A2 (x(Ce) 6.000e-5) + LIQUID (x(Ce) 0.99366) + BCC_A2#2 (x(Ce) 0.99994)
CaCe-08Zha.tdb	1000	BCC_A2 (x(Ce) 4.000e-5) + BCC_A2#2 (x(Ce) 0.99996) + FCC_A1 (x(Ce) 0.99997)
CaCe-08Zha.tdb	716.03	BCC_A2 (x(Ce) 0) + FCC_A1 (x(Ce) 0) + FCC_A1#2 (x(Ce) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull CaCe-07Ham

Invariant reactions (literature)

Invariant reactions reported in the literature for the Ca–Ce system (12)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
1123.15	L′ + L″ = βCa		model	[1] Hampl 2007	Table 3, p. 5, row 1 report
1122.15	L′ + L″ = βCa		experimental	[1] Hampl 2007	Table 3, p. 5, row 2 report
1108	monotectic: Liquid 1 -> bcc(Ca) + liquid 2	Liquid 1: Ce 0.002	experimental	[2] Zhang 2008 cites Gschneider 1961	Table 5, p. 4, row 3 report
1105.8	monotectic: Liquid 1 -> bcc(Ca) + liquid 2	Liquid 1: Ce 0.0027; bcc(Ca): Ce 2.300e-4; liquid 2: Ce 0.9997	model	[2] Zhang 2008	Table 5, p. 4, row 4 report
1079.15	L″ + βCa = βCe		model	[1] Hampl 2007	Table 3, p. 5, row 3 report
1078.15	L″ + βCa = βCe		experimental	[1] Hampl 2007	Table 3, p. 5, row 4 report
1068	eutectic: Liquid 1 -> bcc(Ce) + bcc(Ca)	Liquid 1: Ce 0.997	experimental	[2] Zhang 2008 cites Gschneider 1961	Table 5, p. 4, row 1 report
1061.7	eutectic: Liquid 1 -> bcc(Ce) + bcc(Ca)	Liquid 1: Ce 0.998; bcc(Ce): Ce 0.9998; bcc(Ca): Ce 1.500e-5	model	[2] Zhang 2008	Table 5, p. 4, row 2 report
993.15	βCe = αCe + βCa		model	[1] Hampl 2007	Table 3, p. 5, row 5 report
993.15	βCe = αCe + βCa		experimental	[1] Hampl 2007	Table 3, p. 5, row 6 report
727.15	βCa = αCa (+αCe)		experimental	[1] Hampl 2007	Table 3, p. 5, row 8 report
715.15	βCa = αCa (+αCe)		model	[1] Hampl 2007	Table 3, p. 5, row 7 report

Other properties

Phase transition (1)

Phase transition, Ca–Ce system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	993.15 K	993.15	βCe = αCe + βCa	experimental	[1] Hampl 2007	Table 2, p. 4, row 41 report

Mixing / partial (12)

Mixing / partial, Ca–Ce system
Property	Value	Phases / composition	Class	Source	Location
Enthalpy of mixing	22.719 kJ/mol (basis unstated)	Ca0.25Ce0.75 alloy: Ce 0.75	DFT	[2] Zhang 2008	Table 1, p. 2, row 7 report
Enthalpy of mixing	18.208 kJ/mol (basis unstated)	Ca0.25Ce0.75 (with magnetic) alloy: Ce 0.75	DFT	[2] Zhang 2008	Table 1, p. 2, row 10 report
Enthalpy of mixing	21.928 kJ/mol (basis unstated)	Ca0.50Ce0.50 alloy: Ce 0.5	DFT	[2] Zhang 2008	Table 1, p. 2, row 8 report
Enthalpy of mixing	20.989 kJ/mol (basis unstated)	Ca0.50Ce0.50 (with magnetic) alloy: Ce 0.5	DFT	[2] Zhang 2008	Table 1, p. 2, row 11 report
Enthalpy of mixing	16.488 kJ/mol (basis unstated)	Ca0.75Ce0.25 alloy: Ce 0.25	DFT	[2] Zhang 2008	Table 1, p. 2, row 9 report
Enthalpy of mixing	15.827 kJ/mol (basis unstated)	Ca0.75Ce0.25 (with magnetic) alloy: Ce 0.25	DFT	[2] Zhang 2008	Table 1, p. 2, row 12 report
Enthalpy of mixing	15.827 kJ/mol (basis unstated)	bcc alloy: Ce 0.25	DFT	[2] Zhang 2008	Table 1, p. 2, row 12 report
Enthalpy of mixing	22.719 kJ/mol (basis unstated)	bcc alloy: Ce 0.75	DFT	[2] Zhang 2008	Table 1, p. 2, row 7 report
Enthalpy of mixing	20.989 kJ/mol (basis unstated)	bcc alloy: Ce 0.5	DFT	[2] Zhang 2008	Table 1, p. 2, row 11 report
Enthalpy of mixing	21.928 kJ/mol (basis unstated)	bcc alloy: Ce 0.5	DFT	[2] Zhang 2008	Table 1, p. 2, row 8 report
Enthalpy of mixing	18.208 kJ/mol (basis unstated)	bcc alloy: Ce 0.75	DFT	[2] Zhang 2008	Table 1, p. 2, row 10 report
Enthalpy of mixing	16.488 kJ/mol (basis unstated)	bcc alloy: Ce 0.25	DFT	[2] Zhang 2008	Table 1, p. 2, row 9 report

Crystal structure (2)

Crystal structure, Ca–Ce system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
lattice unspecified axis printed: Lattice parameter	4.5 Å		bcc alloy: Ce 0	experimental	[2] Zhang 2008 cites Lide 2002	Table 1, p. 2, row 2 report
lattice unspecified axis printed: Calculated lattice parameter	4.4 Å	0	bcc alloy: Ce 0	DFT	[2] Zhang 2008	Table 1, p. 2, row 1 report

Sources

Reporting papers the values were read from (a value cited from another work names that work in its row).

Milan Hampl, Joachim Gröbner, Rainer Schmid-Fetzer, Experimental study of phase equilibria and solidification microstructures of Mg–Ca–Ce alloys combined with thermodynamic modeling, J Mater Sci 42, 10023-10031 (2007). doi:10.1007/s10853-007-2002-2
Hui Zhang, Yi Wang, Shunli Shang, Long-Qing Chen, Zi-Kui Liu, Thermodynamic modeling of Mg–Ca–Ce system by combining first-principles and CALPHAD method, Journal of Alloys and Compounds 463, 294-301 (2008). doi:10.1016/j.jallcom.2007.09.020

Please cite

R. Arróyave, J. Saal, D. Shin, ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735569
R. Arróyave, J. Saal, D. Shin, ORCHID-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735859
R. Arróyave, J. Saal, D. Shin, ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD) (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735891
R. Arróyave, J. Saal, D. Shin, ORCHID data: umbrella record of the ORCHID datasets (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23736065

Also cite the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work); B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, https://doi.org/10.1016/j.calphad.2025.102833 (CC BY 4.0), and the original assessment named in each file; A. Jain et al., The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002, https://doi.org/10.1063/1.4812323 (CC BY 4.0); J. E. Saal et al., JOM 65 (2013) 1501, https://doi.org/10.1007/s11837-013-0755-4 and S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010, https://doi.org/10.1038/npjcompumats.2015.10 (CC BY 4.0). Version 1, machine-extracted: values were read by language-model readers constrained to quote their source and checked automatically, and the release was then audited on the printed pages by adversarial audits, an independent second review of fit-facing records and a preliminary human review of a frozen sample. Flags such as accepted and ESPEI-ready record screening results, not certification; known issues are listed in the release notes.

@misc{orchid_literature_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735569},
  url       = {https://doi.org/10.5281/zenodo.23735569},
  note      = {Version 1, machine-extracted}
}

@misc{orchid_phase_diagrams_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Diagrams: calculated binary phase diagrams}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735859},
  url       = {https://doi.org/10.5281/zenodo.23735859}
}

@misc{orchid_hulls_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD)}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735891},
  url       = {https://doi.org/10.5281/zenodo.23735891}
}

@misc{orchid_data_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID data: umbrella record of the ORCHID datasets}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23736065},
  url       = {https://doi.org/10.5281/zenodo.23736065},
  note      = {Version 1, machine-extracted}
}