Sc–Si system

57 accepted literature values from 1 paper(s) (experimental 45, model 12); 2 calculated phase diagram(s).

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (10) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	45
model	12

Accepted values by property group
Property group	Values
invariant reaction	14
formation	12
crystal structure	31

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
ScSi-08GTT.tdb	GTT, unpublished, 2008.	`39f96fbdf0474901452e7df8d5a86068f56bdd6b52445e3951fdf7b4da5d9f33`	viewer · TDB · JSON
ScSi-15Qin.tdb	A. Qin, D. Liu, C. Chen, S. Liu, Y. Du, M. Wang, P. Nash, J. Thermal Analysis Calorim., 119, 1315-21(2015). doi:10.1007/s10973-014-4216-2	`e29b1390094334c403d0e8446dcef984869b8038d410ecc2cecba790547f15e6`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
ScSi-08GTT.tdb	2056.92	SC5SI3_D88 (x(Si) 0.375) + SCSI_B33 (x(Si) 0.5) + LIQUID (x(Si) 0.52796)
ScSi-08GTT.tdb	2056.92	SC5SI3_D88 (x(Si) 0.375) + SCSI_B33 (x(Si) 0.5) + LIQUID (x(Si) 0.52799)
ScSi-08GTT.tdb	2056.92	SC5SI3_D88 (x(Si) 0.375) + SCSI_B33 (x(Si) 0.5) + LIQUID (x(Si) 0.52777)
ScSi-08GTT.tdb	1607.95	HCP_A3 (x(Si) 2.000e-5) + BCC_A2 (x(Si) 3.000e-5) + LIQUID (x(Si) 0.0888)
ScSi-08GTT.tdb	1607.95	HCP_A3 (x(Si) 2.000e-5) + BCC_A2 (x(Si) 3.000e-5) + LIQUID (x(Si) 0.08874)
ScSi-08GTT.tdb	1607.95	HCP_A3 (x(Si) 2.000e-5) + BCC_A2 (x(Si) 3.000e-5) + LIQUID (x(Si) 0.08876)
ScSi-08GTT.tdb	1545.13	HCP_A3 (x(Si) 2.000e-5) + LIQUID (x(Si) 0.11708) + SC5SI3_D88 (x(Si) 0.375)
ScSi-08GTT.tdb	1545.13	HCP_A3 (x(Si) 2.000e-5) + LIQUID (x(Si) 0.11711) + SC5SI3_D88 (x(Si) 0.375)
ScSi-08GTT.tdb	1534.9	SCSI_B33 (x(Si) 0.5) + SC2SI3_C32 (x(Si) 0.6) + LIQUID (x(Si) 0.72234)
ScSi-08GTT.tdb	1534.9	SCSI_B33 (x(Si) 0.5) + SC2SI3_C32 (x(Si) 0.6) + LIQUID (x(Si) 0.72243)
ScSi-08GTT.tdb	1534.9	SCSI_B33 (x(Si) 0.5) + SC2SI3_C32 (x(Si) 0.6) + LIQUID (x(Si) 0.72245)
ScSi-08GTT.tdb	1426.82	SC2SI3_C32 (x(Si) 0.6) + LIQUID (x(Si) 0.76109) + DIAMOND_A4 (x(Si) 1)
ScSi-08GTT.tdb	1426.82	SC2SI3_C32 (x(Si) 0.6) + LIQUID (x(Si) 0.76126) + DIAMOND_A4 (x(Si) 1)
ScSi-08GTT.tdb	1196.56	SCSI_B33 (x(Si) 0.5) + SC2SI3_C32 (x(Si) 0.6) + DIAMOND_A4 (x(Si) 1)
ScSi-15Qin.tdb	2056.85	SC5SI3_D88 (x(Si) 0.375) + SCSI_B33 (x(Si) 0.5) + LIQUID (x(Si) 0.50453)
ScSi-15Qin.tdb	2056.85	SC5SI3_D88 (x(Si) 0.375) + SCSI_B33 (x(Si) 0.5) + LIQUID (x(Si) 0.50429)
ScSi-15Qin.tdb	1607.99	BCC_A2 (x(Si) 0) + HCP_A3 (x(Si) 0) + LIQUID (x(Si) 0.08197)
ScSi-15Qin.tdb	1607.99	HCP_A3 (x(Si) 0) + BCC_A2 (x(Si) 0) + LIQUID (x(Si) 0.08184)
ScSi-15Qin.tdb	1547.17	HCP_A3 (x(Si) 0) + LIQUID (x(Si) 0.10085) + SC5SI3_D88 (x(Si) 0.375)
ScSi-15Qin.tdb	1547.17	HCP_A3 (x(Si) 0) + LIQUID (x(Si) 0.10088) + SC5SI3_D88 (x(Si) 0.375)
ScSi-15Qin.tdb	1536.12	SCSI_B33 (x(Si) 0.5) + BETA_SC3SI5 (x(Si) 0.625) + LIQUID (x(Si) 0.71112)
ScSi-15Qin.tdb	1536.12	SCSI_B33 (x(Si) 0.5) + BETA_SC3SI5 (x(Si) 0.625) + LIQUID (x(Si) 0.71124)
ScSi-15Qin.tdb	1424.57	BETA_SC3SI5 (x(Si) 0.625) + LIQUID (x(Si) 0.76085) + DIAMOND_A4 (x(Si) 1)
ScSi-15Qin.tdb	1424.57	BETA_SC3SI5 (x(Si) 0.625) + LIQUID (x(Si) 0.76096) + DIAMOND_A4 (x(Si) 1)
ScSi-15Qin.tdb	1342.73	BETA_SC3SI5 (x(Si) 0.625) + ALPHA_SC3SI5_C32 (x(Si) 0.625) + DIAMOND_A4 (x(Si) 1)
ScSi-15Qin.tdb	1342.73	SCSI_B33 (x(Si) 0.5) + BETA_SC3SI5 (x(Si) 0.625) + ALPHA_SC3SI5_C32 (x(Si) 0.625)
ScSi-15Qin.tdb	1198.66	SCSI_B33 (x(Si) 0.5) + ALPHA_SC3SI5_C32 (x(Si) 0.625) + DIAMOND_A4 (x(Si) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull ScSi-08GTT

Invariant reactions (literature)

Invariant reactions reported in the literature for the Sc–Si system (14)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
2333.15	congruent melting: L -> Sc5Si3	L: Si 0.375; Sc5Si3: Si 0.375	experimental	[1] Qin 2015 cites Eremenko 1988 doi	Table 4, p. 5, row 13 report
2330.15	congruent melting: L -> Sc5Si3	L: Si 0.375; Sc5Si3: Si 0.375	model	[1] Qin 2015	Table 4, p. 5, row 14 report
2058.15	L + Sc5Si3 -> ScSi	Sc5Si3: Si 0.375; ScSi: Si 0.5	experimental	[1] Qin 2015 cites Eremenko 1988 doi	Table 4, p. 5, row 3 report
2057.15	L + Sc5Si3 -> ScSi	L: Si 0.5045; Sc5Si3: Si 0.375; ScSi: Si 0.5	model	[1] Qin 2015	Table 4, p. 5, row 4 report
1548.15	eutectic: L -> (αSc) + Sc5Si3	L: Si 0.12; (αSc): Si 0; Sc5Si3: Si 0.375	experimental	[1] Qin 2015 cites Eremenko 1988 doi	Table 4, p. 5, row 1 report
1547.15	eutectic: L -> (αSc) + Sc5Si3	L: Si 0.101; (αSc): Si 0; Sc5Si3: Si 0.375	model	[1] Qin 2015	Table 4, p. 5, row 2 report
1536.15	L + ScSi -> βSc3Si5	L: Si 0.711; ScSi: Si 0.5; βSc3Si5: Si 0.625	model	[1] Qin 2015	Table 4, p. 5, row 6 report
1533.15	L + ScSi -> βSc3Si5	ScSi: Si 0.5; βSc3Si5: Si 0.6	experimental	[1] Qin 2015 cites Eremenko 1988 doi	Table 4, p. 5, row 5 report
1428.15	eutectic: L -> (βSc3Si5) + (Si)	L: Si 0.77; (βSc3Si5): Si 0.6; (Si): Si 1	experimental	[1] Qin 2015 cites Eremenko 1988 doi	Table 4, p. 5, row 7 report
1424.15	eutectic: L -> (βSc3Si5) + (Si)	L: Si 0.761; (βSc3Si5): Si 0.625; (Si): Si 1	model	[1] Qin 2015	Table 4, p. 5, row 8 report
1343.15	polymorphic: βSc3Si5 -> αSc3Si5	βSc3Si5: Si 0.625; αSc3Si5: Si 0.625	model	[1] Qin 2015	Table 4, p. 5, row 12 report
1343.15	polymorphic: βSc3Si5 -> αSc3Si5	βSc3Si5: Si 0.6; αSc3Si5: Si 0.6	experimental	[1] Qin 2015 cites Eremenko 1988 doi	Table 4, p. 5, row 11 report
1199.15	αSc3Si5 -> ScSi + (Si)	αSc3Si5: Si 0.625; ScSi: Si 0.5; (Si): Si 1	model	[1] Qin 2015	Table 4, p. 5, row 10 report
1198.15	αSc3Si5 -> ScSi + (Si)	αSc3Si5: Si 0.6; ScSi: Si 0.5; (Si): Si 1	experimental	[1] Qin 2015 cites Eremenko 1988 doi	Table 4, p. 5, row 9 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, Sc–Si system (12)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Sc5Si3	Sc5Si3	-161.1 kJ/mol-atom	298.15	experimental	-71.535 (mp-aaaaalow)	-74.229 (oqmd-4475)	[1] Qin 2015 cites Golutvin 1984	Table 2, p. 3, row 1 report
Sc5Si3	Sc5Si3	-102.8 kJ/mol-atom ± 3.8	935	experimental	-71.535 (mp-aaaaalow)	-74.229 (oqmd-4475)	[1] Qin 2015 cites Lukashenko 1992 doi	Table 2, p. 3, row 3 report
Sc5Si3	Sc5Si3	-90.3 kJ/mol-atom	298.15	model	-71.535 (mp-aaaaalow)	-74.229 (oqmd-4475)	[1] Qin 2015	Table 2, p. 3, row 7 report
Sc5Si3	Sc5Si3	-89.9 kJ/mol-atom ± 4.3	298.15	experimental	-71.535 (mp-aaaaalow)	-74.229 (oqmd-4475)	[1] Qin 2015 cites Topor 1989 doi	Table 2, p. 3, row 2 report
Sc5Si3	Sc5Si3	4.236 kJ/mol-atom	298.15	model	-71.535 (mp-aaaaalow)	-74.229 (oqmd-4475)	[1] Qin 2015 cites Sychev 1980	Table 2, p. 3, row 6 report
ScSi	ScSi	-117.2 kJ/mol-atom	298.15	experimental	-77.326 (mp-aaaaaotl)	-80.839 (oqmd-7936)	[1] Qin 2015 cites Golutvin 1984	Table 2, p. 3, row 1 report
ScSi	ScSi	-87.21 kJ/mol-atom ± 2.1	935	experimental	-77.326 (mp-aaaaaotl)	-80.839 (oqmd-7936)	[1] Qin 2015 cites Lukashenko 1992 doi	Table 2, p. 3, row 3 report
ScSi	ScSi	-82.3 kJ/mol-atom ± 2.1	298.15	experimental	-77.326 (mp-aaaaaotl)	-80.839 (oqmd-7936)	[1] Qin 2015 cites Meschel 1998 doi	Table 2, p. 3, row 4 report
ScSi	ScSi	-81.2 kJ/mol-atom	298.15	model	-77.326 (mp-aaaaaotl)	-80.839 (oqmd-7936)	[1] Qin 2015	Table 2, p. 3, row 7 report
ScSi	ScSi	-80 kJ/mol-atom	0	model	-77.326 (mp-aaaaaotl)	-80.839 (oqmd-7936)	[1] Qin 2015 cites Niessen 1981	Table 2, p. 3, row 5 report
αSc3Si5		-71.2 kJ/mol-atom	298.15	experimental			[1] Qin 2015 cites Golutvin 1984	Table 2, p. 3, row 1 report
αSc3Si5		-60.9 kJ/mol-atom	298.15	model			[1] Qin 2015	Table 2, p. 3, row 7 report

Other properties

Crystal structure (31)

Crystal structure, Sc–Si system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	3.3088 Å	298.15	(αSc) alloy: Si 0	experimental	[1] Qin 2015 cites King 1981	Table 1, p. 2, row 2 report
Lattice a	3.73 Å	298.15	(βSc) alloy: Si 0	experimental	[1] Qin 2015 cites Massalski 1986	Table 1, p. 2, row 3 report
Lattice a	7.845 Å	298.15	Sc5Si3 alloy: Si 0.375	experimental	[1] Qin 2015 cites Sychev 1980	Table 1, p. 2, row 7 report
Lattice a	7.861 Å	298.15	Sc5Si3 alloy: Si 0.375	experimental	[1] Qin 2015 cites McColm 1987 doi	Table 1, p. 2, row 8 report
Lattice a	7.86 Å	298.15	Sc5Si3 alloy: Si 0.375	experimental	[1] Qin 2015 cites Lazorenko 1974	Table 1, p. 2, row 6 report
Lattice a	7.85 Å	298.15	Sc5Si3 alloy: Si 0.375	experimental	[1] Qin 2015 cites Eremenko 1988 doi	Table 1, p. 2, row 4 report
Lattice a	7.861 Å	298.15	Sc5Si3 alloy: Si 0.375	experimental	[1] Qin 2015 cites Arbuckle 1962 doi	Table 1, p. 2, row 5 report
Lattice a	3.99 Å	298.15	ScSi alloy: Si 0.5	experimental	[1] Qin 2015 cites Eremenko 1988 doi	Table 1, p. 2, row 9 report
Lattice a	3.99 Å	298.15	ScSi alloy: Si 0.5	experimental	[1] Qin 2015 cites Dvorina 1965	Table 1, p. 2, row 10 report
Lattice a	3.99 Å	298.15	ScSi alloy: Si 0.5	experimental	[1] Qin 2015 cites Lazorenko 1974	Table 1, p. 2, row 12 report
Lattice a	0.3988 not_printed	298.15	ScSi alloy: Si 0.5	experimental	[1] Qin 2015 cites Schob 1965 doi	Table 1, p. 2, row 11 report
Lattice a	3.664 Å	298.15	αSc2Si3 alloy: Si 0.6	experimental	[1] Qin 2015 cites Schob 1964 doi	Table 1, p. 2, row 13 report
Lattice a	3.66 Å	298.15	αSc3Si5 alloy: Si 0.625	experimental	[1] Qin 2015 cites Lazorenko 1974	Table 1, p. 2, row 15 report
Lattice a	0.366 not_printed ± 0.001	298.15	αSc3Si5 alloy: Si 0.625	experimental	[1] Qin 2015 cites Gladyshevskii 1963	Table 1, p. 2, row 14 report
Lattice b	9.87 Å	298.15	ScSi alloy: Si 0.5	experimental	[1] Qin 2015 cites Eremenko 1988 doi	Table 1, p. 2, row 9 report
Lattice b	9.86 Å	298.15	ScSi alloy: Si 0.5	experimental	[1] Qin 2015 cites Dvorina 1965	Table 1, p. 2, row 10 report
Lattice b	9.86 Å	298.15	ScSi alloy: Si 0.5	experimental	[1] Qin 2015 cites Lazorenko 1974	Table 1, p. 2, row 12 report
Lattice b	0.9882 not_printed ± 5.000e-4	298.15	ScSi alloy: Si 0.5	experimental	[1] Qin 2015 cites Schob 1965 doi	Table 1, p. 2, row 11 report
Lattice c	5.268 Å	298.15	(αSc) alloy: Si 0	experimental	[1] Qin 2015 cites King 1981	Table 1, p. 2, row 2 report
Lattice c	5.786 Å	298.15	Sc5Si3 alloy: Si 0.375	experimental	[1] Qin 2015 cites Sychev 1980	Table 1, p. 2, row 7 report
Lattice c	5.814 Å	298.15	Sc5Si3 alloy: Si 0.375	experimental	[1] Qin 2015 cites McColm 1987 doi	Table 1, p. 2, row 8 report
Lattice c	58.1 Å	298.15	Sc5Si3 alloy: Si 0.375	experimental	[1] Qin 2015 cites Lazorenko 1974	Table 1, p. 2, row 6 report
Lattice c	5.76 Å	298.15	Sc5Si3 alloy: Si 0.375	experimental	[1] Qin 2015 cites Eremenko 1988 doi	Table 1, p. 2, row 4 report
Lattice c	5.812 Å	298.15	Sc5Si3 alloy: Si 0.375	experimental	[1] Qin 2015 cites Arbuckle 1962 doi	Table 1, p. 2, row 5 report
Lattice c	3.657 Å	298.15	ScSi alloy: Si 0.5	experimental	[1] Qin 2015 cites Eremenko 1988 doi	Table 1, p. 2, row 9 report
Lattice c	3.65 Å	298.15	ScSi alloy: Si 0.5	experimental	[1] Qin 2015 cites Dvorina 1965	Table 1, p. 2, row 10 report
Lattice c	3.65 Å	298.15	ScSi alloy: Si 0.5	experimental	[1] Qin 2015 cites Lazorenko 1974	Table 1, p. 2, row 12 report
Lattice c	0.3659 not_printed ± 2.000e-4	298.15	ScSi alloy: Si 0.5	experimental	[1] Qin 2015 cites Schob 1965 doi	Table 1, p. 2, row 11 report
Lattice c	3.877 Å	298.15	αSc2Si3 alloy: Si 0.6	experimental	[1] Qin 2015 cites Schob 1964 doi	Table 1, p. 2, row 13 report
Lattice c	3.87 Å	298.15	αSc3Si5 alloy: Si 0.625	experimental	[1] Qin 2015 cites Lazorenko 1974	Table 1, p. 2, row 15 report
Lattice c	0.387 not_printed ± 0.001	298.15	αSc3Si5 alloy: Si 0.625	experimental	[1] Qin 2015 cites Gladyshevskii 1963	Table 1, p. 2, row 14 report

Sources

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

Aning Qin, Dandan Liu, Chong Chen, Shuhong Liu, Yong Du, Man Wang et al., Heat contents of Sc5Si3 and ScSi intermetallics and thermodynamic modeling of the Sc–Si system, J Therm Anal Calorim 119, 1315-1321 (2015). doi:10.1007/s10973-014-4216-2

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}
}