Al–Li–Zr system

7 accepted literature values from 1 paper(s) (model 3, DFT 1, unspecified 3); 0 calculated phase diagram(s).

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Accepted values by evidence class
Evidence class	Values
model	3
DFT	1
unspecified	3

Accepted values by property group
Property group	Values
formation	2
crystal structure	5

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, Al–Li–Zr system (2)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location	Quote
AlLi2Zr		-3.8946 kJ/mol (basis unstated)		model			[1] Long 2020	Table 6, p. 15, row 1 report
AlLi2Zr		-3.4662 kJ/mol (basis unstated)		DFT			[1] Long 2020	Table 6, p. 15, row 1 report

Other properties

Crystal structure (5)

Crystal structure, Al–Li–Zr system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a printed: a	6.633 Å		AlLi2Zr alloy: Li 0.5, Zr 0.25	model	[1] Long 2020 cites Zatorska 2002 doi	Table 6, p. 15, row 2 report
Lattice a printed: a	6.598 Å		AlLi2Zr alloy: Li 0.5, Zr 0.25	model	[1] Long 2020	Table 6, p. 15, row 1 report
Lattice a	8.1336 Å	298.15	Al3Lix+yZr5-x	unspecified	[1] Long 2020	Table 1, p. 2, row 19 report
Lattice a	6.633 Å	298.15	AlLi2Zr alloy: Li 0.5, Zr 0.25	unspecified	[1] Long 2020	Table 1, p. 2, row 18 report
Lattice c	5.7029 Å	298.15	Al3Lix+yZr5-x	unspecified	[1] Long 2020	Table 1, p. 2, row 19 report

Sources

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

Zhaohui Long, Dongyu Cui, Hongxing Hu, Zhi Li, Fucheng Yin, Touwen Fan, Thermodynamic Modeling of the Al-Li-Zr Ternary System, J. Phase Equilib. Diffus. 41, 623-641 (2020). doi:10.1007/s11669-020-00827-z

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 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_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}
}