C–Zr system

49 accepted literature values from 2 paper(s) (experimental 33, model 13, unspecified 3); 0 calculated phase diagram(s).

Data: JSON · CSV · interactive explorer · phases (6) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	33
model	13
unspecified	3

Accepted values by property group
Property group	Values
invariant reaction	17
phase transition	17
phase equilibrium	8
formation	6
crystal structure	1

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Invariant reactions (literature)

Invariant reactions reported in the literature for the C–Zr system (17)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
3200	γ + liquid + graphite	γ: C 0.496; L: C 0.65	model	[1] Guillermet 1995 cites Okamoto	Table 4, p. 11, row 17 report
3200	γ + liquid + graphite	γ: C 0.495; L: C 0.676	model	[1] Guillermet 1995	Table 4, p. 11, row 18 report
3200	γ + liquid + graphite		experimental	[1] Guillermet 1995 cites ref. 63	Table 4, p. 11, row 15 report
3199	γ + liquid + graphite		experimental	[1] Guillermet 1995 cites Portnoi 1961	Table 4, p. 11, row 3 report
3190	γ + liquid + graphite	L: C 0.645	experimental	[1] Guillermet 1995 cites Rudy 1967	Table 4, p. 11, row 10 report
3190	γ + liquid + graphite	L: C 0.645	experimental	[1] Guillermet 1995 cites Rudy 1965	Table 4, p. 11, row 8 report
3189	γ + liquid + graphite	γ: C 0.494; L: C 0.645	experimental	[1] Guillermet 1995 cites Rudy 1975	Table 4, p. 11, row 13 report
3168	γ + liquid + graphite		experimental	[1] Guillermet 1995 cites Adelsberg 1966	Table 4, p. 11, row 9 report
3148	γ + liquid + graphite		experimental	[1] Guillermet 1995 cites Wallace 1963 doi	Table 4, p. 11, row 5 report
3128	γ + liquid + graphite	γ: C 0.491	experimental	[1] Guillermet 1995 cites Farr 1962	Table 4, p. 11, row 4 report
3128	γ + liquid + graphite	γ: C 0.49; L: C 0.65	model	[1] Guillermet 1995 cites Kubaschewski-von 1976	Table 4, p. 11, row 16 report
3128	γ + liquid + graphite	γ: C 0.491; L: C 0.65	model	[1] Guillermet 1995 cites Shunk 1969	Table 4, p. 11, row 14 report
3128	γ + liquid + graphite	γ: C 0.491; L: C 0.65	experimental	[1] Guillermet 1995 cites Sara 1965	Table 4, p. 11, row 7 report
3128	γ + liquid + graphite	γ: C 0.492; L: C 0.64	model	[1] Guillermet 1995 cites Storms 1967	Table 4, p. 11, row 11 report
3078	γ + liquid + graphite	L: C 0.644	experimental	[1] Guillermet 1995 cites Chiotti 1954	Table 4, p. 11, row 2 report
2697	γ + liquid + graphite		experimental	[1] Guillermet 1995 cites Agte 1931 doi	Table 4, p. 11, row 1 report
1159	peritectoid: (βZr) + ZrC1-x <-> (αZr)	ZrC1-x: C 0.3791; (αZr): C 0.0073; ZrC1−x: C 0.3791	model	[2] Bittermann 2002 cites Fernandez 1995 doi	Table 2, p. 5, row 5 report

Formation enthalpies

Literature values in kJ/mol-atom where the per-atom basis is known. DFT columns: the lowest-energy entry at the same composition (Materials Project 2026.04.13, OQMD v1.8; different energy references, never averaged), from dft_parity.json.

Enthalpies of formation, C–Zr system (6)
Phase	Compound	Value	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
ZrC	ZrC	-71 kJ/mol-atom	model	-77.578 (mp-aaaaaedn)	-78.347 (oqmd-4151)	[1] Guillermet 1995 cites F 1988	Table 1, p. 7, row 4 report
ZrC	ZrC	-69 kJ/mol-atom	unspecified	-77.578 (mp-aaaaaedn)	-78.347 (oqmd-4151)	[1] Guillermet 1995	Table 1, p. 7, row 3 report
ZrC0.5	Zr2C	-103.5 kJ/mol-atom	unspecified		-60.373 (oqmd-2170491)	[1] Guillermet 1995	Table 1, p. 7, row 1 report
ZrC0.5	Zr2C	-103 kJ/mol-atom	model		-60.373 (oqmd-2170491)	[1] Guillermet 1995 cites F 1988	Table 1, p. 7, row 2 report
ZrC3	ZrC3	-53 kJ/mol-atom	model		75.506 (oqmd-323488)	[1] Guillermet 1995 cites F 1988	Table 1, p. 7, row 6 report
ZrC3	ZrC3	-25 kJ/mol-atom ± 25	unspecified		75.506 (oqmd-323488)	[1] Guillermet 1995	Table 1, p. 7, row 5 report

Other properties

Phase transition (17)

Phase transition, C–Zr system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Phase transition	3450 K	3450	congruent transformation: ZrCx (γ) congruent melting	experimental	[1] Guillermet 1995 cites Friederich 1925 doi	Table 3, p. 10, row 1 report
Phase transition	3455 K	3455	congruent transformation: ZrCx (γ) congruent melting	experimental	[1] Guillermet 1995 cites Glaser 1953	Table 3, p. 10, row 3 report
Phase transition	3530 K	3530	congruent transformation: ZrCx (γ) congruent melting	experimental	[1] Guillermet 1995 cites Wilhelm 1964	Table 3, p. 10, row 7 report
Phase transition	3700 K	3700	congruent transformation: ZrCx (γ) congruent melting	experimental	[1] Guillermet 1995 cites Shunk 1969	Table 3, p. 10, row 13 report
Phase transition	3700 K	3700	congruent transformation: ZrCx (γ) congruent melting	experimental	[1] Guillermet 1995 cites Sara 1965	Table 3, p. 10, row 8 report
Phase transition	3700 K	3700	congruent transformation: ZrCx (γ) congruent melting	experimental	[1] Guillermet 1995 cites Farr 1962	Table 3, p. 10, row 5 report
Phase transition	3700 K	3700	congruent transformation: ZrCx (γ) congruent melting	experimental	[1] Guillermet 1995 cites Kubaschewski-von 1976	Table 3, p. 10, row 15 report
Phase transition	3700 K	3700	congruent transformation: ZrCx (γ) congruent melting	experimental	[1] Guillermet 1995 cites Storms 1967	Table 3, p. 10, row 10 report
Phase transition	3700 K	3700	congruent transformation: ZrCx (γ) congruent melting	model	[1] Guillermet 1995	Table 3, p. 10, row 17 report
Phase transition	3720 K	3720	congruent transformation: ZrCx (γ) congruent melting	experimental	[1] Guillermet 1995 cites Rudy 1967	Table 3, p. 10, row 11 report
Phase transition	3720 K	3720	congruent transformation: ZrCx (γ) congruent melting	experimental	[1] Guillermet 1995 cites Rudy 1965	Table 3, p. 10, row 9 report
Phase transition	3725 K	3725	congruent transformation: ZrCx (γ) congruent melting	experimental	[1] Guillermet 1995 cites Rudy 1975	Table 3, p. 10, row 12 report
Phase transition	3784 K	3784	congruent transformation: ZrCx (γ) congruent melting	experimental	[1] Guillermet 1995 cites Agte 1930	Table 3, p. 10, row 2 report
Phase transition	3810 K	3810	congruent transformation: ZrCx (γ) congruent melting	experimental	[1] Guillermet 1995 cites ref. 63	Table 3, p. 10, row 14 report
Phase transition	3813 K	3813	congruent transformation: ZrCx (γ) congruent melting	model	[1] Guillermet 1995 cites Okamoto	Table 3, p. 10, row 16 report
Phase transition	3816 K	3816	congruent transformation: ZrCx (γ) congruent melting	experimental	[1] Guillermet 1995 cites Brownlee 1959	Table 3, p. 10, row 4 report
Phase transition	4016 K	4016	congruent transformation: ZrCx (γ) congruent melting	experimental	[1] Guillermet 1995 cites Paderno 1962	Table 3, p. 10, row 6 report

Phase equilibrium (8)

Phase equilibrium, C–Zr system
Property	T (K)	Phases / composition	Class	Source	Location
Phase composition	1136	α + β + γ γ: C 0.38, Zr 0.62	model	[1] Guillermet 1995 cites Okamoto	Table 6, p. 13, row 8 report
Phase composition	1139	α + β + γ γ: C 0.5, Zr 0.5	experimental	[1] Guillermet 1995 cites Hayes 1955	Table 6, p. 13, row 1 report
Phase composition	1139	α + β + γ γ: C 0.4, Zr 0.6	experimental	[1] Guillermet 1995 cites Shunk 1969	Table 6, p. 13, row 6 report
Phase composition	1146	α + β + γ γ: C 0.375, Zr 0.625	experimental	[1] Guillermet 1995 cites Rudy 1965	Table 6, p. 13, row 4 report
Phase composition	1146	α + β + γ γ: C 0.4, Zr 0.6	experimental	[1] Guillermet 1995 cites Kubaschewski-von 1976	Table 6, p. 13, row 7 report
Phase composition	1152.5	α + β + γ α: C 0.01, Zr 0.99; β: C 0.015, Zr 0.985; γ: C 0.375, Zr 0.625	experimental	[1] Guillermet 1995 cites Storms 1967	Table 6, p. 13, row 5 report
Phase composition	1159	α + β + γ α: C 0.0073, Zr 0.9927; β: C 1.400e-5, Zr 0.999986; γ: C 0.379, Zr 0.621	model	[1] Guillermet 1995	Table 6, p. 13, row 9 report
Phase composition	1173	α + β + γ α: C 0.01, Zr 0.99; β: C 0.02, Zr 0.98; γ: C 0.36, Zr 0.64	experimental	[1] Guillermet 1995 cites Benesovsky 1960	Table 6, p. 13, row 2 report

Crystal structure (1)

Crystal structure, C–Zr system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Lattice a	4.6983 Å	298.15	ZrC1-x ZrC1-x: C 0.49	experimental	[2] Bittermann 2002 cites Storms 1967	Table 1, p. 4, row 19 report

Sources

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

A. Fernández Guillermet, Analysis of thermochemical properties and phase stability in the zirconium-carbon system, Journal of Alloys and Compounds 217, 69-89 (1995). doi:10.1016/0925-8388(94)01310-e
H. Bittermann, P. Rogl, Critical assessment and thermodynamic calculation of the ternary system C-Hf-Zr (Carbon-Zirconium-Hafnium), JPE 23, 218-235 (2002). doi:10.1361/105497102770331703

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-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); 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); 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. 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_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}
}