O–Sc system

7 accepted literature values from 1 paper(s) (experimental 1, model 5, unspecified 1); 0 calculated phase diagram(s).

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

Accepted values by evidence class
Evidence class	Values
experimental	1
model	5
unspecified	1

Accepted values by property group
Property group	Values
phase transition	2
formation	1
heat capacity / entropy / enthalpy	1
crystal structure	3

Convex hulls: Materials Project DFT hull · OQMD DFT hull

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, O–Sc system (1)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location	Quote
C-Sc2O3	Sc2O3	-381.715 kJ/mol-atom	298.15	model	-382.923 (mp-aaaaaaii)	-367.356 (oqmd-4555)	[1] ZINKEVICH 2007	Table 6.1, p. 24, row 1 report

Other properties

Phase transition (2)

Phase transition, O–Sc system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	298.15 K	298.15	polymorphic: C ⇒ A alloy: O 0.6, Sc 0.4	unspecified	[1] ZINKEVICH 2007 cites Atou 1994	Table 2.3, p. 10, row 2 report
Phase transition	1273 K	1273	polymorphic: C ⇒ B alloy: O 0.6, Sc 0.4	experimental	[1] ZINKEVICH 2007 cites Reid 1969	Table 2.3, p. 10, row 1 report

Heat capacity / entropy / enthalpy (1)

Heat capacity / entropy / enthalpy, O–Sc system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Entropy printed: °S	77 unknown	298.15	C-Sc2O3 alloy: O 0.6, Sc 0.4	model	[1] ZINKEVICH 2007	Table 6.1, p. 24, row 1 report

Crystal structure (3)

Crystal structure, O–Sc system
Property	Value	T (K)	Phases / composition	Class	Source	Location
lattice molar volume	31.781 cm3 mol-1	298.15	Sc2O3 (A-type) alloy: O 0.6, Sc 0.4	model	[1] ZINKEVICH 2007	Table 3.1, p. 12, row 1 report
lattice molar volume	33.129 cm3 mol-1	298.15	Sc2O3 (B-type) alloy: O 0.6, Sc 0.4	model	[1] ZINKEVICH 2007	Table 3.1, p. 12, row 1 report
lattice molar volume	35.911 cm3 mol-1	298.15	Sc2O3 (C-type) alloy: O 0.6, Sc 0.4	model	[1] ZINKEVICH 2007	Table 3.1, p. 12, row 1 report

Sources

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

M ZINKEVICH, Thermodynamics of rare earth sesquioxides, Progress in Materials Science 52, 597-647 (2007). doi:10.1016/j.pmatsci.2006.09.002

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}
}