Ca–Sn system

54 accepted literature values from 2 paper(s) (experimental 7, model 21, DFT 7, unspecified 19); 2 calculated phase diagram(s). 1 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (13) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	7
model	21
DFT	7
unspecified	19

Accepted values by property group
Property group	Values
phase transition	1
formation	34
crystal structure	19

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
CaSn-05Car.tdb	Y. Cartigny, J.M. Fiorani, A. Maitre, M. Vilasi, Z. Metallkd., 96, 1308-13(2005). doi:10.3139/146.101180	`b3f8ddc2d6b985adb78e73b819fcd25377b5e2b40aadfc225e74bd106f7a404a`	viewer · TDB · JSON
CaSn-06Ohn.tdb	M. Ohno, A. Kozlov, R. Arroyave, Z.-K. Liu, R. Schmid-Fetzer, Acta Mater., 54, 4939-51(2006). doi:10.1016/j.actamat.2006.06.017	`e68b6471da20d65744f091aeb35ae354d4b6eb620c10dbbe50afe1c17ac020e5`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
CaSn-05Car.tdb	1402.64	CA2SN_C37 (x(Sn) 0.33333) + CA5SN3_D8L (x(Sn) 0.375) + LIQUID (x(Sn) 0.40272)
CaSn-05Car.tdb	1400.63	CA5SN3_D8L (x(Sn) 0.375) + CA36SN23 (x(Sn) 0.38983) + LIQUID (x(Sn) 0.40401)
CaSn-05Car.tdb	1390.37	CA36SN23 (x(Sn) 0.38983) + CA31SN20 (x(Sn) 0.39216) + LIQUID (x(Sn) 0.41575)
CaSn-05Car.tdb	1272.94	CA31SN20 (x(Sn) 0.39216) + CA7SN6 (x(Sn) 0.46154) + LIQUID (x(Sn) 0.48576)
CaSn-05Car.tdb	1267.99	CA7SN6 (x(Sn) 0.46154) + LIQUID (x(Sn) 0.49288) + CASN_B33 (x(Sn) 0.5)
CaSn-05Car.tdb	1052	BCC_A2 (x(Sn) 0) + LIQUID (x(Sn) 0.05485) + CA2SN_C37 (x(Sn) 0.33333)
CaSn-05Car.tdb	883.03	CASN_B33 (x(Sn) 0.5) + LIQUID (x(Sn) 0.701) + CASN3_L12 (x(Sn) 0.75)
CaSn-05Car.tdb	716.03	BCC_A2 (x(Sn) 0) + FCC_A1 (x(Sn) 0) + CA2SN_C37 (x(Sn) 0.33333)
CaSn-05Car.tdb	499.29	CASN3_L12 (x(Sn) 0.75) + LIQUID (x(Sn) 0.98665) + BCT_A5 (x(Sn) 1)
CaSn-05Car.tdb	379.49	CA31SN20 (x(Sn) 0.39216) + CA7SN6 (x(Sn) 0.46154) + CASN_B33 (x(Sn) 0.5)
CaSn-06Ohn.tdb	1409.61	CA2SN_C37 (x(Sn) 0.33333) + CA5SN3_D8L (x(Sn) 0.375) + LIQUID (x(Sn) 0.41624)
CaSn-06Ohn.tdb	1394.68	CA5SN3_D8L (x(Sn) 0.375) + CA36SN23 (x(Sn) 0.38983) + LIQUID (x(Sn) 0.42184)
CaSn-06Ohn.tdb	1384.9	CA36SN23 (x(Sn) 0.38983) + CA31SN20 (x(Sn) 0.39216) + LIQUID (x(Sn) 0.42664)
CaSn-06Ohn.tdb	1274.51	CA31SN20 (x(Sn) 0.39216) + CA7SN6 (x(Sn) 0.46154) + LIQUID (x(Sn) 0.466)
CaSn-06Ohn.tdb	1270.61	CA7SN6 (x(Sn) 0.46154) + LIQUID (x(Sn) 0.47562) + CASN_B33 (x(Sn) 0.5)
CaSn-06Ohn.tdb	1049.92	BCC_A2 (x(Sn) 0) + LIQUID (x(Sn) 0.05124) + CA2SN_C37 (x(Sn) 0.33333)
CaSn-06Ohn.tdb	880.18	CASN_B33 (x(Sn) 0.5) + LIQUID (x(Sn) 0.69439) + CASN3_L12 (x(Sn) 0.75)
CaSn-06Ohn.tdb	716.03	BCC_A2 (x(Sn) 0) + FCC_A1 (x(Sn) 0) + CA2SN_C37 (x(Sn) 0.33333)
CaSn-06Ohn.tdb	505.01	CASN3_L12 (x(Sn) 0.75) + LIQUID (x(Sn) 0.99952) + BCT_A5 (x(Sn) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull CaSn-05Car

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, Ca–Sn system (34)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Ca2Sn	Ca2Sn	-109.2 kJ/mol-atom ± 0.56	298.15	experimental	-62.454 (mp-aaaabhql)	-66.713 (oqmd-11004)	[1] OHNO 2006 cites Min 1988	Table 3, p. 5, row 2 report
Ca2Sn	Ca2Sn	-104.6 kJ/mol-atom ± 12.6	298.15	experimental	-62.454 (mp-aaaabhql)	-66.713 (oqmd-11004)	[1] OHNO 2006 cites Kubaschewski 1949	Table 3, p. 5, row 1 report
Ca2Sn	Ca2Sn	-92 kJ/mol-atom	298.15	model	-62.454 (mp-aaaabhql)	-66.713 (oqmd-11004)	[1] OHNO 2006	Table 3, p. 5, row 6 report
Ca2Sn	Ca2Sn	-83.1193 kJ/mol-atom	298.15	model	-62.454 (mp-aaaabhql)	-66.713 (oqmd-11004)	[1] OHNO 2006 cites Cartigny 2005	Table 3, p. 5, row 4 report
Ca2Sn	Ca2Sn	-66.3582 kJ/mol-atom	298.15	model	-62.454 (mp-aaaabhql)	-66.713 (oqmd-11004)	[1] OHNO 2006	Table 3, p. 5, row 5 report
Ca2Sn		-66.3582 kJ/mol-atom	298.15	DFT			[1] OHNO 2006	Table 3, p. 5, row 3 report
Ca31Sn20	Ca31Sn20	-85.4865 kJ/mol-atom	298.15	model	-63.307 (mp-aaabmsjm)	-67.809 (oqmd-32622)	[1] OHNO 2006 cites Cartigny 2005	Table 3, p. 5, row 16 report
Ca31Sn20	Ca31Sn20	-84.941 kJ/mol-atom	298.15	model	-63.307 (mp-aaabmsjm)	-67.809 (oqmd-32622)	[1] OHNO 2006	Table 3, p. 5, row 18 report
Ca31Sn20		-66.356 kJ/mol-atom	298.15	DFT			[1] OHNO 2006	Table 3, p. 5, row 15 report
Ca31Sn20	Ca31Sn20	-66.07 kJ/mol-atom	298.15	model	-63.307 (mp-aaabmsjm)	-67.809 (oqmd-32622)	[1] OHNO 2006	Table 3, p. 5, row 17 report
Ca36Sn23	Ca36Sn23	-85.7767 kJ/mol-atom	298.15	model	-63.054 (mp-aaabgjjy)		[1] OHNO 2006 cites Cartigny 2005	Table 3, p. 5, row 12 report
Ca36Sn23	Ca36Sn23	-85.22 kJ/mol-atom	298.15	model	-63.054 (mp-aaabgjjy)		[1] OHNO 2006	Table 3, p. 5, row 14 report
Ca36Sn23		-66.2987 kJ/mol-atom	298.15	DFT			[1] OHNO 2006	Table 3, p. 5, row 11 report
Ca36Sn23	Ca36Sn23	-66.1 kJ/mol-atom	298.15	model	-63.054 (mp-aaabgjjy)		[1] OHNO 2006	Table 3, p. 5, row 13 report
Ca5Sn3	Ca5Sn3	-87 kJ/mol-atom	298.15	model	-62.301 (mp-aaacrbwy)	-66.719 (oqmd-1800697)	[1] OHNO 2006	Table 3, p. 5, row 10 report
Ca5Sn3	Ca5Sn3	-86.6079 kJ/mol-atom	298.15	model	-62.301 (mp-aaacrbwy)	-66.719 (oqmd-1800697)	[1] OHNO 2006 cites Cartigny 2005	Table 3, p. 5, row 8 report
Ca5Sn3	Ca5Sn3	-66.2 kJ/mol-atom	298.15	model	-62.301 (mp-aaacrbwy)	-66.719 (oqmd-1800697)	[1] OHNO 2006	Table 3, p. 5, row 9 report
Ca5Sn3		-65.8414 kJ/mol-atom	298.15	DFT			[1] OHNO 2006	Table 3, p. 5, row 7 report
Ca7Sn6	Ca7Sn6	-76.615 kJ/mol-atom	298.15	model	-61.718 (mp-aaaabulm)	-66.952 (oqmd-52518)	[1] OHNO 2006	Table 3, p. 5, row 22 report
Ca7Sn6	Ca7Sn6	-75.6618 kJ/mol-atom	298.15	model	-61.718 (mp-aaaabulm)	-66.952 (oqmd-52518)	[1] OHNO 2006 cites Cartigny 2005	Table 3, p. 5, row 20 report
Ca7Sn6		-65.1455 kJ/mol-atom	298.15	DFT			[1] OHNO 2006	Table 3, p. 5, row 19 report
Ca7Sn6	Ca7Sn6	-64.7 kJ/mol-atom	298.15	model	-61.718 (mp-aaaabulm)	-66.952 (oqmd-52518)	[1] OHNO 2006	Table 3, p. 5, row 21 report
CaSn	CaSn	-79.5 kJ/mol-atom ± 10.5	298.15	experimental	-62.533 (mp-aaaaadqg)	-67.837 (oqmd-20943)	[1] OHNO 2006 cites Kubaschewski 1949	Table 3, p. 5, row 23 report
CaSn	CaSn	-72 kJ/mol-atom	298.15	model	-62.533 (mp-aaaaadqg)	-67.837 (oqmd-20943)	[1] OHNO 2006	Table 3, p. 5, row 28 report
CaSn	CaSn	-70.2455 kJ/mol-atom	298.15	model	-62.533 (mp-aaaaadqg)	-67.837 (oqmd-20943)	[1] OHNO 2006 cites Cartigny 2005	Table 3, p. 5, row 26 report
CaSn		-66.3191 kJ/mol-atom	298.15	DFT			[1] OHNO 2006	Table 3, p. 5, row 25 report
CaSn	CaSn	-63.6393 kJ/mol-atom	298.15	model	-62.533 (mp-aaaaadqg)	-67.837 (oqmd-20943)	[1] OHNO 2006	Table 3, p. 5, row 27 report
CaSn	CaSn	-62 kJ/mol-atom ± 1	298.15	experimental	-62.533 (mp-aaaaadqg)	-67.837 (oqmd-20943)	[1] OHNO 2006 cites Bouirden 1984	Table 3, p. 5, row 24 report
CaSn3	CaSn3	-44.98 kJ/mol-atom ± 4.2	298.15	experimental	-39.254 (mp-aaaaaqsg)	-44.752 (oqmd-11003)	[1] OHNO 2006 cites Kubaschewski 1949	Table 3, p. 5, row 29 report
CaSn3		-40.9388 kJ/mol-atom	298.15	DFT			[1] OHNO 2006	Table 3, p. 5, row 31 report
CaSn3	CaSn3	-39.3495 kJ/mol-atom	298.15	model	-39.254 (mp-aaaaaqsg)	-44.752 (oqmd-11003)	[1] OHNO 2006	Table 3, p. 5, row 33 report
CaSn3	CaSn3	-38.688 kJ/mol-atom	298.15	model	-39.254 (mp-aaaaaqsg)	-44.752 (oqmd-11003)	[1] OHNO 2006	Table 3, p. 5, row 34 report
CaSn3	CaSn3	-38.6 kJ/mol-atom ± 0.8	298.15	experimental	-39.254 (mp-aaaaaqsg)	-44.752 (oqmd-11003)	[1] OHNO 2006 cites Bouirden 1984	Table 3, p. 5, row 30 report
CaSn3	CaSn3	-37.7225 kJ/mol-atom	298.15	model	-39.254 (mp-aaaaaqsg)	-44.752 (oqmd-11003)	[1] OHNO 2006 cites Cartigny 2005	Table 3, p. 5, row 32 report

Other properties

Phase transition (1)

Phase transition, Ca–Sn system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	1613 K	1613	Ca2Sn + liquid	experimental	[1] OHNO 2006 cites Palenzona 2000	p. 2 report	The Ca2Sn phase melts at the highest temperature, about 1613 K, which is much higher than the melting temperatures of the pure elements.

Crystal structure (19)

Crystal structure, Ca–Sn system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	4.741 not_printed ± 0.002	630 (<)	CaSn3 alloy: Sn 0.75	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 8 report
Lattice a	7.867 not_printed ± 0.001	1000 (<)	Ca7Sn6 alloy: Sn 0.461538	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 10 report
Lattice a	4.813 not_printed ± 0.002	1010 (<)	CaSn alloy: Sn 0.5	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 9 report
Lattice a	12.521 not_printed ± 0.002	1130 (<)	Ca31Sn20 alloy: Sn 0.392157	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 11 report
Lattice a	12.499 not_printed ± 0.001	1130 (<)	Ca36Sn23 alloy: Sn 0.389831	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 12 report
Lattice a	8.117 not_printed ± 0.002	1130 (<)	Ca5Sn3	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 13 report
Lattice a	7.992 not_printed ± 0.003	1340 (<)	Ca2Sn alloy: Sn 0.333333	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 14 report
Lattice a	7.981 not_printed ± 0.002	1340 (<)	Ca2Sn alloy: Sn 0.333333	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 14 report
Lattice b	23.818 not_printed ± 0.002	1000 (<)	Ca7Sn6 alloy: Sn 0.461538	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 10 report
Lattice b	11.544 not_printed ± 0.002	1010 (<)	CaSn alloy: Sn 0.5	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 9 report
Lattice b	5.043 not_printed ± 0.001	1340 (<)	Ca2Sn alloy: Sn 0.333333	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 14 report
Lattice b	5.037 not_printed ± 0.003	1340 (<)	Ca2Sn alloy: Sn 0.333333	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 14 report
Lattice c	8.465 not_printed ± 0.001	1000 (<)	Ca7Sn6 alloy: Sn 0.461538	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 10 report
Lattice c	4.351 not_printed ± 0.001	1010 (<)	CaSn alloy: Sn 0.5	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 9 report
Lattice c	39.87 not_printed ± 0.02	1130 (<)	Ca31Sn20 alloy: Sn 0.392157	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 11 report
Lattice c	22.883 not_printed ± 0.005	1130 (<)	Ca36Sn23 alloy: Sn 0.389831	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 12 report
Lattice c	15.429 not_printed ± 0.007	1130 (<)	Ca5Sn3	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 13 report
Lattice c	9.566 not_printed ± 0.002	1340 (<)	Ca2Sn alloy: Sn 0.333333	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 14 report
Lattice c	9.554 not_printed ± 0.005	1340 (<)	Ca2Sn alloy: Sn 0.333333	unspecified	[2] Kozlov 2008	Table 1, p. 4, row 14 report

Sources

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

M OHNO, A KOZLOV, R ARROYAVE, Z LIU, R SCHMIDFETZER, Thermodynamic modeling of the Ca–Sn system based on finite temperature quantities from first-principles and experiment, Acta Materialia 54, 4939-4951 (2006). doi:10.1016/j.actamat.2006.06.017
A. Kozlov, M. Ohno, R. Arroyave, Z.K. Liu, R. Schmid-Fetzer, Phase equilibria, thermodynamics and solidification microstructures of Mg–Sn–Ca alloys, Part 1: Experimental investigation and thermodynamic modeling of the ternary Mg–Sn–Ca system, Intermetallics 16, 299-315 (2008). doi:10.1016/j.intermet.2007.10.010

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}
}