Se system

36 accepted literature values from 6 paper(s) (experimental 14, DFT 20, unspecified 2); 0 calculated phase diagram(s).

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Accepted values by evidence class
Evidence class	Values
experimental	14
DFT	20
unspecified	2

Accepted values by property group
Property group	Values
formation	4
crystal structure	23
other property	9

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, Se system (4)
Phase	Value	Class	Source	Location
α-Se	21.468 kJ/mol-atom	DFT	[1] Li 2018	Table 4, p. 6, row 6 report
α-Se	22.869 kJ/mol-atom	DFT	[1] Li 2018	Table 4, p. 6, row 5 report
β-Se	43.164 kJ/mol-atom	DFT	[1] Li 2018	Table 4, p. 6, row 10 report
β-Se	53.402 kJ/mol-atom	DFT	[1] Li 2018	Table 4, p. 6, row 9 report

Other properties

Crystal structure (23)

Crystal structure, Se system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	4.337 Å	298.15	(Se) alloy: Se 1	experimental	[2] Chen 2022 cites McCann 1972 doi	Table I, p. 2, row 5 report
Lattice a	0.43655 Å	298.15	(Se) alloy: Se 1	unspecified	[3] Zhou 2024 cites King 1981	Table 1, p. 2, row 2 report
Lattice a	1.285 Å	298.15	(αSe) alloy: Se 1	experimental	[4] Shi 2019 cites Steigmann 1966 doi	Table 2, p. 3, row 6 report
Lattice a	0.905 Å	298.15	(βSe) alloy: Se 1	experimental	[4] Shi 2019 cites Howe 1989	Table 2, p. 3, row 7 report
Lattice a	4.3 Å	298.15	Hex(Se) alloy: Se 1	experimental	[5] Liu 2023 cites Massalski 1990	Table 1, p. 3, row 3 report
Lattice b	4.337 Å	298.15	(Se) alloy: Se 1	experimental	[2] Chen 2022 cites McCann 1972 doi	Table I, p. 2, row 5 report
Lattice b	0.807 Å	298.15	(αSe) alloy: Se 1	experimental	[4] Shi 2019 cites Steigmann 1966 doi	Table 2, p. 3, row 6 report
Lattice b	0.907 Å	298.15	(βSe) alloy: Se 1	experimental	[4] Shi 2019 cites Howe 1989	Table 2, p. 3, row 7 report
Lattice c	5.077 Å	298.15	(Se) alloy: Se 1	experimental	[2] Chen 2022 cites McCann 1972 doi	Table I, p. 2, row 5 report
Lattice c	0.49576 Å	298.15	(Se) alloy: Se 1	unspecified	[3] Zhou 2024 cites King 1981	Table 1, p. 2, row 2 report
Lattice c	0.931 Å	298.15	(αSe) alloy: Se 1	experimental	[4] Shi 2019 cites Steigmann 1966 doi	Table 2, p. 3, row 6 report
Lattice c	1.161 Å	298.15	(βSe) alloy: Se 1	experimental	[4] Shi 2019 cites Howe 1989	Table 2, p. 3, row 7 report
Lattice c	4.9537 Å	298.15	Hex(Se) alloy: Se 1	experimental	[5] Liu 2023 cites Massalski 1990	Table 1, p. 3, row 3 report
volume printed: Volume	28.19 Å3/atom	0	α-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 13 report
volume printed: Volume	32.13 Å3/atom	0	α-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 12 report
volume printed: Volume	31.49 Å3/atom	0	α′-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 20 report
volume printed: Volume	26.68 Å3/atom	0	α′-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 21 report
volume printed: Volume	29.78 Å3/atom		α′-Se alloy: Se 1	experimental	[6] Guan 2017 cites Gattow 1964 doi	Table 1, p. 5, row 19 report
volume printed: Volume	27.74 Å3/atom	0	β-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 15 report
volume printed: Volume	32.52 Å3/atom	0	β-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 14 report
volume printed: Volume	23.08 Å3/atom	0	δ-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 18 report
volume printed: Volume	25.99 Å3/atom	0	δ-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 17 report
volume printed: Volume	26.57 Å3/atom		δ-Se alloy: Se 1	experimental	[6] Guan 2017 cites Hamilton 1974 doi	Table 1, p. 5, row 16 report

Other property (9)

Other property, Se system
Property	Value	T (K)	Phases / composition	Class	Source	Location
bulk modulus printed: B0	15.142 GPa	0	α-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 13 report
bulk modulus printed: B0	9.058 GPa	0	α-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 12 report
bulk modulus printed: B0	7.737 GPa	0	α′-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 20 report
bulk modulus printed: B0	13.342 GPa	0	α′-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 21 report
bulk modulus printed: B0	14.033 GPa	0	β-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 15 report
bulk modulus printed: B0	8.393 GPa	0	β-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 14 report
bulk modulus printed: B0	34.163 GPa	0	δ-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 18 report
bulk modulus printed: B0	14.359 GPa	0	δ-Se alloy: Se 1	DFT	[6] Guan 2017	Table 1, p. 5, row 17 report
bulk modulus printed: B0	10.9925 GPa (range 7.085 to 14.9)		δ-Se alloy: Se 1	experimental	[6] Guan 2017 cites Hamilton 1974 doi	Table 1, p. 5, row 16 report

Sources

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

Zhi Li, Shun-Li Shang, Jianyun Shen, Po-Hsien Liao, Zi-Kui Liu, Timothy J. Anderson, Thermodynamic Assessment of the Ag-Se System Aided by First-Principles Calculations, J. Phase Equilib. Diffus. 39, 870-881 (2018). doi:10.1007/s11669-018-0683-7
Shanxiong Chen, Jiong Wang, Shangzhao Yu, Biao Hu, Qing Wu, Yong Du, Thermodynamic Modeling of the Ge-X (X = As, Se, S, P) Systems, J. Electron. Mater. 51, 2114-2130 (2022). doi:10.1007/s11664-022-09474-1
Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui, Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems, J. Phase Equilib. Diffus. 45, 89-113 (2024). doi:10.1007/s11669-024-01093-z
Chenying Shi, Biaobiao Yang, Biao Hu, Yong Du, Sheng Yao, Thermodynamic Description of the Al–X (X = S, Se, Te) Systems, J. Phase Equilib. Diffus. 40, 392-402 (2019). doi:10.1007/s11669-019-00733-z
Runlin Liu, Jiong Wang, Dongyu Cui, Thermodynamic Modeling of the Cu-Sb-Se System, J. Phase Equilib. Diffus. 44, 687-703 (2023). doi:10.1007/s11669-023-01074-8
Pin-Wen Guan, Shun-Li Shang, Greta Lindwall, Tim Anderson, Zi-Kui Liu, First-principles calculations and thermodynamic modeling of the S-Se system and implications for chalcogenide alloys, Journal of Alloys and Compounds 694, 510-521 (2017). doi:10.1016/j.jallcom.2016.10.037

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}
}