Cr–Hf system

84 accepted literature values from 1 paper(s) (experimental 8, DFT 60, unspecified 16); 2 calculated phase diagram(s).

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

Accepted values by evidence class
Evidence class	Values
experimental	8
DFT	60
unspecified	16

Accepted values by property group
Property group	Values
crystal structure	84

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
CrHf-10Pav-3SL.tdb	J. Pavlu, J. Vrestal, M. Sob, Calphad, 34, 215-21(2010). doi:10.1016/j.calphad.2010.03.003	`2f6ed12b7f156a6412f0b6fb9eeab10f74d000cbdb207ca6f56b3d8484771f8d`	viewer · TDB · JSON
CrHf-10Pav.tdb	J. Pavlu, J. Vrestal, M. Sob, Calphad, 34, 215-21(2010). doi:10.1016/j.calphad.2010.03.003	`8556f8a49f653998ed0dcdc4a70df9a760052f6e842ee877dd3396bb913bb607`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
CrHf-10Pav-3SL.tdb	1939.01	BCC_A2 (x(Hf) 0.0189) + LIQUID (x(Hf) 0.14942) + C14_LAVES (x(Hf) 0.33326)
CrHf-10Pav-3SL.tdb	1774.22	C14_LAVES (x(Hf) 0.35631) + LIQUID (x(Hf) 0.63904) + BCC_A2 (x(Hf) 0.85644)
CrHf-10Pav-3SL.tdb	1633.03	C14_LAVES (x(Hf) 0.35397) + BCC_A2 (x(Hf) 0.88926) + HCP_A3 (x(Hf) 0.97669)
CrHf-10Pav-3SL.tdb	1595.6	C14_LAVES (x(Hf) 0.35263) + C15_LAVES (x(Hf) 0.35387) + HCP_A3 (x(Hf) 0.97844)
CrHf-10Pav-3SL.tdb	1580.01	BCC_A2 (x(Hf) 0.00497) + C15_LAVES (x(Hf) 0.3332) + C14_LAVES (x(Hf) 0.33333)
CrHf-10Pav.tdb	1938.73	BCC_A2 (x(Hf) 0.01892) + LIQUID (x(Hf) 0.14959) + C14_LAVES (x(Hf) 0.33343)
CrHf-10Pav.tdb	1775.25	C14_LAVES (x(Hf) 0.35856) + LIQUID (x(Hf) 0.63934) + BCC_A2 (x(Hf) 0.85653)
CrHf-10Pav.tdb	1633.22	C14_LAVES (x(Hf) 0.35536) + BCC_A2 (x(Hf) 0.88934) + HCP_A3 (x(Hf) 0.9767)
CrHf-10Pav.tdb	1590.8	C14_LAVES (x(Hf) 0.35355) + C15_LAVES (x(Hf) 0.35367) + HCP_A3 (x(Hf) 0.97868)
CrHf-10Pav.tdb	1586.64	BCC_A2 (x(Hf) 0.00513) + C15_LAVES (x(Hf) 0.3332) + C14_LAVES (x(Hf) 0.33335)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull CrHf-10Pav-3SL

Other properties

Crystal structure (84)

Crystal structure, Cr–Hf system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	5.0314 Å	0	Cr2Hf (C14) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 32 report
Lattice a	5.0314 Å		Cr2Hf (C14) alloy: Hf 0.333333	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 3 report
Lattice a	7.0655 Å	0	Cr2Hf (C15) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 33 report
Lattice a	5.009 Å		Cr2Hf (C36) alloy: Hf 0.333333	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 10 report
Lattice a	5.009 Å	0	Cr2Hf (C36) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 41 report
Lattice a	6.0211 Å	0	Cr2Hf10 (C14) alloy: Hf 0.833333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 37 report
Lattice a	6.0211 Å		Cr2Hf10 (C14) alloy: Hf 0.833333	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 6 report
Lattice a	6.0138 Å	0	Cr2Hf10 (C36) alloy: Hf 0.833333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 44 report
Lattice a	6.0138 Å		Cr2Hf10 (C36) alloy: Hf 0.833333	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 13 report
Lattice a	6.2668 Å	0	Cr6Hf6 (C14) alloy: Hf 0.5	DFT	[1] Pavlů 2010	Table 2, p. 3, row 34 report
Lattice a	6.2668 Å		Cr6Hf6 (C14) alloy: Hf 0.5	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 4 report
Lattice a	6.2594 Å		Cr6Hf6 (C36) alloy: Hf 0.5	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 11 report
Lattice a	6.2594 Å	0	Cr6Hf6 (C36) alloy: Hf 0.5	DFT	[1] Pavlů 2010	Table 2, p. 3, row 42 report
Lattice a	5.5285 Å		CrHf2 (C14) alloy: Hf 0.666667	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 5 report
Lattice a	5.5285 Å	0	CrHf2 (C14) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 35 report
Lattice a	7.7745 Å	0	CrHf2 (C15) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 36 report
Lattice a	5.6155 Å	0	CrHf2 (C36) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 43 report
Lattice a	5.6155 Å		CrHf2 (C36) alloy: Hf 0.666667	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 12 report
Lattice a	5.056 Å	298.15	Cr2Hf (C14) alloy: Hf 0.333333	experimental	[1] Pavlů 2010 cites Villars 1991	Table 2, p. 3, row 1 report
Lattice a	7.14 Å	298.15	Cr2Hf (C15) alloy: Hf 0.333333	experimental	[1] Pavlů 2010 cites Villars 1991	Table 2, p. 3, row 29 report
Lattice a	5.064 Å	298.15	Cr2Hf (C36) alloy: Hf 0.333333	experimental	[1] Pavlů 2010 cites Villars 1991	Table 2, p. 3, row 8 report
Lattice c	8.0561 Å	0	Cr2Hf (C14) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 32 report
Lattice c	8.0561 Å		Cr2Hf (C14) alloy: Hf 0.333333	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 3 report
Lattice c	16.2427 Å		Cr2Hf (C36) alloy: Hf 0.333333	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 10 report
Lattice c	16.2427 Å	0	Cr2Hf (C36) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 41 report
Lattice c	7.8344 Å	0	Cr2Hf10 (C14) alloy: Hf 0.833333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 37 report
Lattice c	7.8344 Å		Cr2Hf10 (C14) alloy: Hf 0.833333	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 6 report
Lattice c	15.6956 Å	0	Cr2Hf10 (C36) alloy: Hf 0.833333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 44 report
Lattice c	15.6956 Å		Cr2Hf10 (C36) alloy: Hf 0.833333	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 13 report
Lattice c	6.3446 Å	0	Cr6Hf6 (C14) alloy: Hf 0.5	DFT	[1] Pavlů 2010	Table 2, p. 3, row 34 report
Lattice c	6.3446 Å		Cr6Hf6 (C14) alloy: Hf 0.5	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 4 report
Lattice c	12.7576 Å		Cr6Hf6 (C36) alloy: Hf 0.5	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 11 report
Lattice c	12.7576 Å	0	Cr6Hf6 (C36) alloy: Hf 0.5	DFT	[1] Pavlů 2010	Table 2, p. 3, row 42 report
Lattice c	8.6558 Å		CrHf2 (C14) alloy: Hf 0.666667	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 5 report
Lattice c	8.6558 Å	0	CrHf2 (C14) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 35 report
Lattice c	17.7111 Å	0	CrHf2 (C36) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 43 report
Lattice c	17.7111 Å		CrHf2 (C36) alloy: Hf 0.666667	unspecified	[1] Pavlů 2010	Table 2, p. 3, row 12 report
Lattice c	8.21 Å	298.15	Cr2Hf (C14) alloy: Hf 0.333333	experimental	[1] Pavlů 2010 cites Villars 1991	Table 2, p. 3, row 1 report
Lattice c	16.47 Å	298.15	Cr2Hf (C36) alloy: Hf 0.333333	experimental	[1] Pavlů 2010 cites Villars 1991	Table 2, p. 3, row 8 report
lattice 4e z	0.0945 not_printed	0	Cr2Hf (C36) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 41 report
lattice 4e z	0.0895 not_printed	0	Cr2Hf10 (C36) alloy: Hf 0.833333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 44 report
lattice 4e z	0.0638 not_printed	0	Cr6Hf6 (C36) alloy: Hf 0.5	DFT	[1] Pavlů 2010	Table 2, p. 3, row 42 report
lattice 4e z	0.06 not_printed	0	CrHf2 (C36) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 43 report
lattice 4f z	0.0604 1	0	Cr2Hf (C14) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 32 report
lattice 4f z	0.0702 not_printed	0	Cr2Hf10 (C14) alloy: Hf 0.833333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 37 report
lattice 4f z	0.1223 not_printed	0	Cr6Hf6 (C14) alloy: Hf 0.5	DFT	[1] Pavlů 2010	Table 2, p. 3, row 34 report
lattice 4f z	0.0627 not_printed	0	CrHf2 (C14) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 35 report
lattice 4f z 1	0.8439 not_printed	0	Cr2Hf (C36) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 41 report
lattice 4f z 1	0.8394 not_printed	0	Cr2Hf10 (C36) alloy: Hf 0.833333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 44 report
lattice 4f z 1	0.814 not_printed	0	Cr6Hf6 (C36) alloy: Hf 0.5	DFT	[1] Pavlů 2010	Table 2, p. 3, row 42 report
lattice 4f z 1	0.8585 not_printed	0	CrHf2 (C36) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 43 report
lattice 4f z 2	0.1234 not_printed	0	Cr2Hf (C36) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 41 report
lattice 4f z 2	0.125 not_printed	0	Cr2Hf10 (C36) alloy: Hf 0.833333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 44 report
lattice 4f z 2	0.1323 not_printed	0	Cr6Hf6 (C36) alloy: Hf 0.5	DFT	[1] Pavlů 2010	Table 2, p. 3, row 42 report
lattice 4f z 2	0.1266 not_printed	0	CrHf2 (C36) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 43 report
lattice 6h x	0.8315 not_printed	0	Cr2Hf (C14) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 32 report
lattice 6h x	0.1647 not_printed	0	Cr2Hf (C36) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 41 report
lattice 6h x	0.8325 not_printed	0	Cr2Hf10 (C14) alloy: Hf 0.833333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 37 report
lattice 6h x	0.1652 not_printed	0	Cr2Hf10 (C36) alloy: Hf 0.833333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 44 report
lattice 6h x	0.8256 not_printed	0	Cr6Hf6 (C14) alloy: Hf 0.5	DFT	[1] Pavlů 2010	Table 2, p. 3, row 34 report
lattice 6h x	0.1568 not_printed	0	Cr6Hf6 (C36) alloy: Hf 0.5	DFT	[1] Pavlů 2010	Table 2, p. 3, row 42 report
lattice 6h x	0.8253 not_printed	0	CrHf2 (C14) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 35 report
lattice 6h x	0.1603 not_printed	0	CrHf2 (C36) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 43 report
lattice 6h y	0.6631 not_printed	0	Cr2Hf (C14) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 32 report
lattice 6h y	0.3294 not_printed	0	Cr2Hf (C36) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 41 report
lattice 6h y	0.665 not_printed	0	Cr2Hf10 (C14) alloy: Hf 0.833333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 37 report
lattice 6h y	0.3305 not_printed	0	Cr2Hf10 (C36) alloy: Hf 0.833333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 44 report
lattice 6h y	0.6513 not_printed	0	Cr6Hf6 (C14) alloy: Hf 0.5	DFT	[1] Pavlů 2010	Table 2, p. 3, row 34 report
lattice 6h y	0.3137 not_printed	0	Cr6Hf6 (C36) alloy: Hf 0.5	DFT	[1] Pavlů 2010	Table 2, p. 3, row 42 report
lattice 6h y	0.6505 not_printed	0	CrHf2 (C14) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 35 report
lattice 6h y	0.3207 not_printed	0	CrHf2 (C36) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 43 report
lattice v atom	1.47179 10^7 pm^3	0	Cr2Hf (C14) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 32 report
lattice v atom	1.46966 10^7 pm^3	0	Cr2Hf (C15) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 33 report
lattice v atom	1.47056 10^7 pm^3	0	Cr2Hf (C36) alloy: Hf 0.333333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 41 report
lattice v atom	2.04974 10^7 pm^3	0	Cr2Hf10 (C14) alloy: Hf 0.833333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 37 report
lattice v atom	2.04832 10^7 pm^3	0	Cr2Hf10 (C36) alloy: Hf 0.833333	DFT	[1] Pavlů 2010	Table 2, p. 3, row 44 report
lattice v atom	1.79822 10^7 pm^3	0	Cr6Hf6 (C14) alloy: Hf 0.5	DFT	[1] Pavlů 2010	Table 2, p. 3, row 34 report
lattice v atom	1.80365 10^7 pm^3	0	Cr6Hf6 (C36) alloy: Hf 0.5	DFT	[1] Pavlů 2010	Table 2, p. 3, row 42 report
lattice v atom	1.9093 10^7 pm^3	0	CrHf2 (C14) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 35 report
lattice v atom	1.95797 10^7 pm^3	0	CrHf2 (C15) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 36 report
lattice v atom	2.01529 10^7 pm^3	0	CrHf2 (C36) alloy: Hf 0.666667	DFT	[1] Pavlů 2010	Table 2, p. 3, row 43 report
lattice v atom	1.51463 10^7 pm^3	298.15	Cr2Hf (C14) alloy: Hf 0.333333	experimental	[1] Pavlů 2010 cites Villars 1991	Table 2, p. 3, row 1 report
lattice v atom	1.51664 10^7 pm^3	298.15	Cr2Hf (C15) alloy: Hf 0.333333	experimental	[1] Pavlů 2010 cites Villars 1991	Table 2, p. 3, row 29 report
lattice v atom	1.52405 10^7 pm^3	298.15	Cr2Hf (C36) alloy: Hf 0.333333	experimental	[1] Pavlů 2010 cites Villars 1991	Table 2, p. 3, row 8 report

Sources

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

J. Pavlů, J. Vřešt’ál, M. Šob, Thermodynamic modeling of Laves phases in the Cr–Hf and Cr–Ti systems: Reassessment using first-principles results, Calphad 34, 215-221 (2010). doi:10.1016/j.calphad.2010.03.003

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}
}