Li–Si system

132 accepted literature values from 4 paper(s) (experimental 84, model 48); 3 calculated phase diagram(s). 12 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 (14) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	84
model	48

Accepted values by property group
Property group	Values
invariant reaction	69
phase transition	8
mixing / partial	24
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
LiSi-13Wan.tdb	P. Wang, A. Kozlov, D. Thomas, F. Mertens, R. Schmid-Fetzer, Intermetallics, 42, 137-45(2013). doi:10.1016/j.intermet.2013.06.003	`229cd983628a68f92815952bffbce6240e47a8981026a6faf0ef99eeb167fef8`	viewer · TDB · JSON
LiSi-14Bra.tdb	M.H. Braga, A. Debski, W. Gasior, J. Alloys Compd., 616, 581-93(2014). doi:10.1016/j.jallcom.2014.06.212	`d53f1691e81929b40eb1b34560cc70f18df282d0b016f79c7e0dd0b7d76aacb2`	viewer · TDB · JSON
LiSi-17Lia.tdb	S.-M. Liang, F. Taubert, A. Kozlov, J. Seidel, F. Mertens, R. Schmid-Fetzer, Intermetallics, 81, 32-46(2017). doi:10.1016/j.intermet.2017.02.024	`47ff6e5cea85ffdd0f58850d90539f6c4547c1b382e7438eb33adaea6db1e2b3`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
LiSi-13Wan.tdb	1004.94	LI13SI4 (x(Si) 0.23529) + LIQUID (x(Si) 0.2425) + LI7SI3 (x(Si) 0.3)
LiSi-13Wan.tdb	1004.94	LI13SI4 (x(Si) 0.23529) + LIQUID (x(Si) 0.24235) + LI7SI3 (x(Si) 0.3)
LiSi-13Wan.tdb	1004.94	LI13SI4 (x(Si) 0.23529) + LIQUID (x(Si) 0.24281) + LI7SI3 (x(Si) 0.3)
LiSi-13Wan.tdb	956.72	LIQUID (x(Si) 0.14841) + LI22SI5 (x(Si) 0.18519) + LI13SI4 (x(Si) 0.23529)
LiSi-13Wan.tdb	956.72	LIQUID (x(Si) 0.14852) + LI22SI5 (x(Si) 0.18519) + LI13SI4 (x(Si) 0.23529)
LiSi-13Wan.tdb	924.75	LI7SI3 (x(Si) 0.3) + LI12SI7 (x(Si) 0.36842) + LIQUID (x(Si) 0.42457)
LiSi-13Wan.tdb	924.75	LI7SI3 (x(Si) 0.3) + LI12SI7 (x(Si) 0.36842) + LIQUID (x(Si) 0.42448)
LiSi-13Wan.tdb	861.48	LI12SI7 (x(Si) 0.36842) + LIQUID (x(Si) 0.48462) + DIAMOND_A4 (x(Si) 1)
LiSi-13Wan.tdb	861.47	LI12SI7 (x(Si) 0.36842) + LIQUID (x(Si) 0.48471) + DIAMOND_A4 (x(Si) 1)
LiSi-13Wan.tdb	861.47	LI12SI7 (x(Si) 0.36842) + LIQUID (x(Si) 0.48475) + DIAMOND_A4 (x(Si) 1)
LiSi-13Wan.tdb	453.57	BCC_A2 (x(Si) 0) + LIQUID (x(Si) 6.000e-5) + LI22SI5 (x(Si) 0.18519)
LiSi-13Wan.tdb	453.57	BCC_A2 (x(Si) 0) + LIQUID (x(Si) 6.000e-5) + LI22SI5 (x(Si) 0.18519)
LiSi-14Bra.tdb	984.29	LI13SI4 (x(Si) 0.23529) + LIQUID (x(Si) 0.24162) + LI7SI3 (x(Si) 0.3)
LiSi-14Bra.tdb	984.29	LI13SI4 (x(Si) 0.23529) + LIQUID (x(Si) 0.24141) + LI7SI3 (x(Si) 0.3)
LiSi-14Bra.tdb	984.29	LI13SI4 (x(Si) 0.23529) + LIQUID (x(Si) 0.24173) + LI7SI3 (x(Si) 0.3)
LiSi-14Bra.tdb	909.44	LI7SI3 (x(Si) 0.3) + LI12SI7 (x(Si) 0.36842) + LIQUID (x(Si) 0.40247)
LiSi-14Bra.tdb	909.44	LI7SI3 (x(Si) 0.3) + LI12SI7 (x(Si) 0.36842) + LIQUID (x(Si) 0.40233)
LiSi-14Bra.tdb	902.17	LIQUID (x(Si) 0.14579) + LI33SI8 (x(Si) 0.19512) + LI13SI4 (x(Si) 0.23529)
LiSi-14Bra.tdb	902.17	LIQUID (x(Si) 0.14589) + LI33SI8 (x(Si) 0.19512) + LI13SI4 (x(Si) 0.23529)
LiSi-14Bra.tdb	889.83	LIQUID (x(Si) 0.13392) + LI21SI5 (x(Si) 0.19231) + LI33SI8 (x(Si) 0.19512)
LiSi-14Bra.tdb	889.82	LIQUID (x(Si) 0.13364) + LI21SI5 (x(Si) 0.19231) + LI33SI8 (x(Si) 0.19512)
LiSi-14Bra.tdb	857	LI12SI7 (x(Si) 0.36842) + LIQUID (x(Si) 0.45245) + DIAMOND_A4 (x(Si) 1)
LiSi-14Bra.tdb	857	LI12SI7 (x(Si) 0.36842) + LIQUID (x(Si) 0.45254) + DIAMOND_A4 (x(Si) 1)
LiSi-14Bra.tdb	760.91	LIQUID (x(Si) 0.04281) + LI17SI4 (x(Si) 0.19048) + LI21SI5 (x(Si) 0.19231)
LiSi-14Bra.tdb	760.91	LIQUID (x(Si) 0.04253) + LI17SI4 (x(Si) 0.19048) + LI21SI5 (x(Si) 0.19231)
LiSi-14Bra.tdb	753.82	LI12SI7 (x(Si) 0.36842) + LISI (x(Si) 0.5) + DIAMOND_A4 (x(Si) 1)
LiSi-14Bra.tdb	730.94	LI17SI4 (x(Si) 0.19048) + LI21SI5 (x(Si) 0.19231) + LI33SI8 (x(Si) 0.19512)
LiSi-14Bra.tdb	453.57	BCC_A2 (x(Si) 0) + LIQUID (x(Si) 5.000e-5) + LI17SI4 (x(Si) 0.19048)
LiSi-14Bra.tdb	453.57	BCC_A2 (x(Si) 0) + LIQUID (x(Si) 5.000e-5) + LI17SI4 (x(Si) 0.19048)
LiSi-17Lia.tdb	999.74	LI13SI4 (x(Si) 0.23529) + LIQUID (x(Si) 0.25759) + LI7SI3 (x(Si) 0.3)
LiSi-17Lia.tdb	999.74	LI13SI4 (x(Si) 0.23529) + LIQUID (x(Si) 0.25743) + LI7SI3 (x(Si) 0.3)
LiSi-17Lia.tdb	999.74	LI13SI4 (x(Si) 0.23529) + LIQUID (x(Si) 0.25767) + LI7SI3 (x(Si) 0.3)
LiSi-17Lia.tdb	911.04	LI7SI3 (x(Si) 0.3) + LI12SI7 (x(Si) 0.36842) + LIQUID (x(Si) 0.39511)
LiSi-17Lia.tdb	911.04	LI7SI3 (x(Si) 0.3) + LI12SI7 (x(Si) 0.36842) + LIQUID (x(Si) 0.39483)
LiSi-17Lia.tdb	893.07	LIQUID (x(Si) 0.13089) + LI21SI5 (x(Si) 0.19589) + LI13SI4 (x(Si) 0.23529)
LiSi-17Lia.tdb	893.07	LIQUID (x(Si) 0.13103) + LI21SI5 (x(Si) 0.19589) + LI13SI4 (x(Si) 0.23529)
LiSi-17Lia.tdb	865.1	LI12SI7 (x(Si) 0.36842) + LIQUID (x(Si) 0.44096) + DIAMOND_A4 (x(Si) 0.99992)
LiSi-17Lia.tdb	865.1	LI12SI7 (x(Si) 0.36842) + LIQUID (x(Si) 0.44098) + DIAMOND_A4 (x(Si) 0.99992)
LiSi-17Lia.tdb	803.64	LIQUID (x(Si) 0.07484) + LI17SI4 (x(Si) 0.19048) + LI21SI5 (x(Si) 0.19589)
LiSi-17Lia.tdb	803.64	LIQUID (x(Si) 0.07495) + LI17SI4 (x(Si) 0.19048) + LI21SI5 (x(Si) 0.19589)
LiSi-17Lia.tdb	803.64	LIQUID (x(Si) 0.07473) + LI17SI4 (x(Si) 0.19048) + LI21SI5 (x(Si) 0.19589)
LiSi-17Lia.tdb	773.43	LI17SI4 (x(Si) 0.19048) + LI21SI5 (x(Si) 0.19589) + LI13SI4 (x(Si) 0.23529)
LiSi-17Lia.tdb	757.19	LI12SI7 (x(Si) 0.36842) + LISI (x(Si) 0.5) + DIAMOND_A4 (x(Si) 0.99999)
LiSi-17Lia.tdb	757.19	LI12SI7 (x(Si) 0.36842) + LISI (x(Si) 0.5) + DIAMOND_A4 (x(Si) 0.99999)
LiSi-17Lia.tdb	757.19	LI12SI7 (x(Si) 0.36842) + LISI (x(Si) 0.5) + DIAMOND_A4 (x(Si) 0.99999)
LiSi-17Lia.tdb	453.55	BCC_A2 (x(Si) 0) + LIQUID (x(Si) 8.000e-5) + LI17SI4 (x(Si) 0.19048)
LiSi-17Lia.tdb	453.55	BCC_A2 (x(Si) 0) + LIQUID (x(Si) 8.000e-5) + LI17SI4 (x(Si) 0.19048)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull LiSi-13Wan · CALPHAD hull LiSi-14Bra

Invariant reactions (literature)

Invariant reactions reported in the literature for the Li–Si system (69)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
1033	congruent melting: L ↔ Li2Si	L: Li 0.666667, Si 0.333333; Li2Si: Li 0.666667, Si 0.333333	experimental	[1] Liang 2017 cites Obinata 1965	Table 4, p. 4, row 41 report
1027	congruent melting: L ↔ Li7Si3	L: Li 0.7, Si 0.3; Li7Si3: Li 0.7, Si 0.3	experimental	[1] Liang 2017 cites C 1985	Table 4, p. 4, row 42 report
1026.6	congruent melting: L -> Li7Si3	L: Li 0.7, Si 0.3; Li7Si3: Li 0.7, Si 0.3	model	[1] Liang 2017 cites Wang 2013 doi	Table 4, p. 5, row 1 report
1025	congruent melting: L ↔ Li2Si	L: Li 0.666667, Si 0.333333; Li2Si: Li 0.666667, Si 0.333333	experimental	[1] Liang 2017 cites Bo	Table 4, p. 4, row 40 report
1023.2	congruent melting: L -> Li7Si3	L: Li 0.7, Si 0.3; Li7Si3: Li 0.7, Si 0.3	model	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 5, row 2 report
1023.1	congruent melting: L -> Li7Si3	L: Li 0.7, Si 0.3; Li7Si3: Li 0.7, Si 0.3	model	[1] Liang 2017	Table 4, p. 5, row 3 report
1023	congruent melting: L ↔ Li2Si	L: Li 0.666667, Si 0.333333; Li2Si: Li 0.666667, Si 0.333333	experimental	[1] Liang 2017 cites Pell 1959	Table 4, p. 4, row 39 report
1017	congruent melting: L ↔ Li7Si3	L: Li 0.7, Si 0.3; Li7Si3: Li 0.7, Si 0.3	experimental	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 4, row 43 report
1006	congruent melting: L ↔ Li13Si4	L: Li 0.764706, Si 0.235294; Li13Si4: Li 0.764706, Si 0.235294	model	[1] Liang 2017	Table 4, p. 4, row 33 report
1005.1	congruent melting: L ↔ Li13Si4	L: Li 0.764706, Si 0.235294; Li13Si4: Li 0.764706, Si 0.235294	model	[1] Liang 2017 cites Wang 2013 doi	Table 4, p. 4, row 31 report
1005	eutectic: L = L13Si4 + L7Si3	L: Si 0.243; L13Si4: Si 0.235294; L7Si3: Si 0.3	model	[2] Wang 2013	Table 2, p. 6, row 4 report
1004.82	L ↔ Li13Si4 + Li7Si3	L: Si 0.243; Li13Si4: Li 0.764706, Si 0.235294; Li7Si3: Li 0.7, Si 0.3	model	[1] Liang 2017 cites Wang 2013 doi	Table 4, p. 4, row 36 report
999.7	L ↔ Li13Si4 + Li7Si3	L: Si 0.258; Li13Si4: Li 0.764706, Si 0.235294; Li7Si3: Li 0.7, Si 0.3	model	[1] Liang 2017	Table 4, p. 4, row 38 report
995	congruent melting: L ↔ Li13Si4	L: Li 0.764706, Si 0.235294; Li13Si4: Li 0.764706, Si 0.235294	experimental	[1] Liang 2017 cites C 1985	Table 4, p. 4, row 30 report
993	congruent melting: L ↔ Li4Si	L: Li 0.8, Si 0.2; Li4Si: Li 0.8, Si 0.2	experimental	[1] Liang 2017 cites Pell 1959	Table 4, p. 4, row 29 report
984.7	congruent melting: L ↔ Li13Si4	L: Li 0.764706, Si 0.235294; Li13Si4: Li 0.764706, Si 0.235294	model	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 4, row 32 report
984.3	L ↔ Li13Si4 + Li7Si3	L: Si 0.242; Li13Si4: Li 0.764706, Si 0.235294; Li7Si3: Li 0.7, Si 0.3	model	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 4, row 37 report
982	L ↔ Li13Si4 + Li7Si3	L: Si 0.26; Li13Si4: Li 0.764706, Si 0.235294; Li7Si3: Li 0.7, Si 0.3	experimental	[1] Liang 2017 cites C 1985	Table 4, p. 4, row 35 report
976	L + Li2Si ↔ Li21Si8		experimental	[1] Liang 2017 cites Sharma 1976 doi	Table 4, p. 4, row 34 report
957	peritectic: L + L13Si4 = L22Si5	L: Si 0.148; L13Si4: Si 0.235294; L22Si5: Si 0.185185	model	[2] Wang 2013	Table 2, p. 6, row 2 report
956.6	L + Li13Si4 ↔ Li22Si5	L: Si 0.148; Li13Si4: Li 0.764706, Si 0.235294	model	[1] Liang 2017 cites Wang 2013 doi	Table 4, p. 4, row 27 report
925	peritectic: L + L7Si3 = L12Si7	L: Si 0.425; L7Si3: Si 0.3; L12Si7: Si 0.368421	model	[2] Wang 2013	Table 2, p. 6, row 6 report
924.6	L + Li7Si3 -> Li12Si7	L: Si 0.425; Li7Si3: Li 0.7, Si 0.3; Li12Si7: Li 0.631579, Si 0.368421	model	[1] Liang 2017 cites Wang 2013 doi	Table 4, p. 5, row 9 report
923	eutectic: L -> Li2Si + (Si)	L: Si 0.39	experimental	[1] Liang 2017 cites Obinata 1965	Table 4, p. 5, row 5 report
921	L + Li7Si3 -> Li12Si7	L: Si 0.39; Li7Si3: Li 0.7, Si 0.3; Li12Si7: Li 0.631579, Si 0.368421	experimental	[1] Liang 2017 cites C 1985	Table 4, p. 5, row 7 report
913	L + Li2Si ↔ Li4Si		experimental	[1] Liang 2017 cites Obinata 1965	Table 4, p. 4, row 15 report
913	L + Li7Si3 -> Li12Si7	Li7Si3: Li 0.7, Si 0.3; Li12Si7: Li 0.631579, Si 0.368421	experimental	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 5, row 8 report
911	L + Li7Si3 -> Li12Si7	L: Si 0.395; Li7Si3: Li 0.7, Si 0.3; Li12Si7: Li 0.631579, Si 0.368421	model	[1] Liang 2017	Table 4, p. 5, row 11 report
909.4	L + Li7Si3 -> Li12Si7	L: Si 0.403; Li7Si3: Li 0.7, Si 0.3; Li12Si7: Li 0.631579, Si 0.368421	model	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 5, row 10 report
908	eutectic: L -> Li2Si + (Si)		experimental	[1] Liang 2017 cites Sharma 1976 doi	Table 4, p. 5, row 6 report
908	eutectic: L -> Li2Si + (Si)	L: Si 0.394	experimental	[1] Liang 2017 cites Bo	Table 4, p. 5, row 4 report
906	L + Li2Si ↔ Li4Si		experimental	[1] Liang 2017 cites Bo	Table 4, p. 4, row 14 report
902.2	L + Li13Si4 ↔ Li4.13Si	L: Si 0.146; Li13Si4: Li 0.764706, Si 0.235294	model	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 4, row 22 report
901	L + Li13Si4 ↔ Li22Si5	L: Si 0.18; Li13Si4: Li 0.764706, Si 0.235294	experimental	[1] Liang 2017 cites C 1985	Table 4, p. 4, row 16 report
901	L + Li13Si4 ↔ Li4.11Si	Li13Si4: Li 0.764706, Si 0.235294	experimental	[1] Liang 2017 cites Zeilinger 2013 doi	Table 4, p. 4, row 19 report
900	L + Li13Si4 ↔ Li4.11Si	Li13Si4: Li 0.764706, Si 0.235294	experimental	[1] Liang 2017 cites Thomas 2015 doi	Table 4, p. 4, row 21 report
899	L + Li13Si4 ↔ Li4.13Si	Li13Si4: Li 0.764706, Si 0.235294	experimental	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 4, row 20 report
893.1	L + Li13Si4 ↔ Li4.11Si	L: Si 0.131; Li13Si4: Li 0.764706, Si 0.235294	model	[1] Liang 2017	Table 4, p. 4, row 23 report
891	L + Li13Si4 ↔ Li4.11Si	Li13Si4: Li 0.764706, Si 0.235294	experimental	[1] Liang 2017 cites Zeilinger 2013 doi	Table 4, p. 4, row 18 report
891	L + Li15Si4 ↔ Li22Si5	Li15Si4: Li 0.789474, Si 0.210526	experimental	[1] Liang 2017 cites Sharma 1976 doi	Table 4, p. 4, row 17 report
889.2	L + Li4.13Si ↔ Li21Si5	L: Si 0.133; Li21Si5: Li 0.804114, Si 0.195886	model	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 4, row 28 report
880	L + Li4.13Si ↔ Li21Si5 (?)	Li21Si5 (?): Li 0.804114, Si 0.195886	experimental	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 4, row 26 report
865.1	eutectic: L -> Li12Si7 + (Si)	L: Si 0.441; Li12Si7: Li 0.631579, Si 0.368421	model	[1] Liang 2017	Table 4, p. 5, row 18 report
865	eutectic: L -> Li12Si7 + (Si)	L: Si 0.43; Li12Si7: Li 0.631579, Si 0.368421	experimental	[1] Liang 2017 cites C 1985	Table 4, p. 5, row 13 report
863	eutectic: L -> Li12Si7 + (Si)	Li12Si7: Li 0.631579, Si 0.368421	experimental	[1] Liang 2017 cites Evers 1993 doi	Table 4, p. 5, row 14 report
863	eutectic: L -> LixSi + (Si)	L: Si 0.42; LixSi: Li 0.5, Si 0.5	experimental	[1] Liang 2017 cites Pell 1959	Table 4, p. 5, row 12 report
861.4	eutectic: L -> Li12Si7 + (Si)	L: Si 0.485; Li12Si7: Li 0.631579, Si 0.368421	model	[1] Liang 2017 cites Wang 2013 doi	Table 4, p. 5, row 16 report
861	eutectic: L = L12Si7 + (Li)	L: Si 0.485; L12Si7: Si 0.368421	model	[2] Wang 2013	Table 2, p. 6, row 7 report
860	eutectic: L -> Li12Si7 + (Si)	Li12Si7: Li 0.631579, Si 0.368421	experimental	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 5, row 15 report
857	eutectic: L -> Li12Si7 + (Si)	L: Si 0.453; Li12Si7: Li 0.631579, Si 0.368421	model	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 5, row 17 report
804	L + Li4.11Si ↔ Li17Si4	Li17Si4: Li 0.809524, Si 0.190476	experimental	[1] Liang 2017 cites Thomas 2015 doi	Table 4, p. 4, row 6 report
803.6	L + Li4.11Si ↔ Li17Si4	L: Si 0.075; Li17Si4: Li 0.809524, Si 0.190476	model	[1] Liang 2017	Table 4, p. 4, row 9 report
800	L + Li4.11Si ↔ Li17Si4	Li17Si4: Li 0.809524, Si 0.190476	experimental	[1] Liang 2017 cites Thomas 2015 doi	Table 4, p. 4, row 7 report
799	L + Li4.11Si ↔ Li17Si4	Li17Si4: Li 0.809524, Si 0.190476	experimental	[1] Liang 2017 cites Zeilinger 2013 doi	Table 4, p. 4, row 5 report
783	Li4.11Si ↔ Li17Si4+ Li13Si4	Li17Si4: Li 0.809524, Si 0.190476; Li13Si4: Li 0.764706, Si 0.235294	experimental	[1] Liang 2017 cites Zeilinger 2013 doi	Table 4, p. 4, row 10 report
773.4	Li4.11Si ↔ Li17Si4+ Li13Si4	Li17Si4: Li 0.809524, Si 0.190476; Li13Si4: Li 0.764706, Si 0.235294	model	[1] Liang 2017	Table 4, p. 4, row 13 report
768	L + Li4.11Si ↔ Li17Si4	Li17Si4: Li 0.809524, Si 0.190476	experimental	[1] Liang 2017 cites Zeilinger 2013 doi	Table 4, p. 4, row 4 report
768	Li4.11Si ↔ Li17Si4+ Li13Si4	Li17Si4: Li 0.809524, Si 0.190476; Li13Si4: Li 0.764706, Si 0.235294	experimental	[1] Liang 2017 cites Zeilinger 2013 doi	Table 4, p. 4, row 11 report
758	Li12Si7 + (Si) -> LiSi	Li12Si7: Li 0.631579, Si 0.368421; LiSi: Li 0.5, Si 0.5	experimental	[1] Liang 2017 cites Evers 1997	Table 4, p. 5, row 20 report
757.4	L + Li21Si5 ↔ Li17Si4	L: Si 0.041; Li21Si5: Li 0.804114, Si 0.195886; Li17Si4: Li 0.809524, Si 0.190476	model	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 4, row 8 report
757.2	Li12Si7 + (Si) -> LiSi	Li12Si7: Li 0.631579, Si 0.368421; LiSi: Li 0.5, Si 0.5	model	[1] Liang 2017	Table 4, p. 5, row 23 report
757	Li12Si7 + (Si) -> LiSi	Li12Si7: Li 0.631579, Si 0.368421; LiSi: Li 0.5, Si 0.5	model	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 5, row 22 report
756	Li12Si7 + (Si) -> LiSi	Li12Si7: Li 0.631579, Si 0.368421; LiSi: Li 0.5, Si 0.5	experimental	[1] Liang 2017 cites Tang 2013 doi	Table 4, p. 5, row 21 report
743	Li12Si7 + (Si) -> LiSi	Li12Si7: Li 0.631579, Si 0.368421; LiSi: Li 0.5, Si 0.5	experimental	[1] Liang 2017 cites Evers 1993 doi	Table 4, p. 5, row 19 report
727.9	Li21Si5 ↔ Li4.13Si + Li17Si4	Li21Si5: Li 0.804114, Si 0.195886; Li17Si4: Li 0.809524, Si 0.190476	model	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 4, row 12 report
453.6	L ↔ (Li) + Li17Si4	L: Si 8.000e-5; Li17Si4: Li 0.809524, Si 0.190476	model	[1] Liang 2017	Table 4, p. 4, row 3 report
453.6	L ↔ (Li) + Li17Si4	L: Si 4.900e-5; Li17Si4: Li 0.809524, Si 0.190476	model	[1] Liang 2017 cites Braga 2014 doi	Table 4, p. 4, row 2 report
453.6	L ↔ (Li) + Li22Si5	L: Si 5.600e-5	model	[1] Liang 2017 cites Wang 2013 doi	Table 4, p. 4, row 1 report
453.6	eutectic: L = (Li) + L22Si5	L: Si 3.000e-4; L22Si5: Si 0.185185	model	[2] Wang 2013	Table 2, p. 6, row 1 report

Other properties

Phase transition (8)

Phase transition, Li–Si system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	216.5 K	216.5	Li7Si3	experimental	[2] Wang 2013	p. 3 report	The heat capacity measurements reveal a small phase transition of Li7Si3 at 216.5 K.
Phase transition	922 K	922	congruent melting	model	[1] Liang 2017	p. 11 report	The Li-rich side of the present calculation labeled with all the invariant reaction temperatures is shown in Fig. 8b; superimposed as pink dash-dot lines are the metastable liquidus lines of Li15Si4, exhibiting the metastable congruent melting point at 922 K, and the metastable extension of the liquidus line of (Si).
Phase transition	985 K	985	congruent transformation	model	[1] Liang 2017 cites Braga 2014 doi	p. 13 report	For the congruent melting point of Li13Si4 we assess 1006 K, as opposed to 985 K [5].
Phase transition	1005 K	1005	congruent melting: L = L13Si4 L: Si 0.235294; L13Si4: Si 0.235294	model	[2] Wang 2013	Table 2, p. 6, row 3 report
Phase transition	1005 K	1005	congruent transformation	model	[2] Wang 2013	p. 6 report	The other more accurate value considered in our assessment is the congruent melting temperature for Li7Si3, calculated at 1027 K, and possibly that of Li13Si4 at 1005 K.
Phase transition	1006 K	1006	congruent transformation	model	[1] Liang 2017	p. 13 report	For the congruent melting point of Li13Si4 we assess 1006 K, as opposed to 985 K [5].
Phase transition	1027 K	1027	congruent melting: L = L7Si3 L: Si 0.3; L7Si3: Si 0.3	model	[2] Wang 2013	Table 2, p. 6, row 5 report
Phase transition	1027 K	1027	congruent transformation	model	[2] Wang 2013	p. 6 report	The other more accurate value considered in our assessment is the congruent melting temperature for Li7Si3, calculated at 1027 K, and possibly that of Li13Si4 at 1005 K.

Mixing / partial (24)

Mixing / partial, Li–Si system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Enthalpy of mixing printed: ΔHmix.	-8.4 kJ/mol (basis unstated) ± 1	1081	liquid alloy: Li 0.9393, Si 0.0607	experimental	[3] Braga 2014	Table 1, p. 4, row 2 report
Enthalpy of mixing printed: ΔHmix.	-13.4 kJ/mol (basis unstated) ± 1	1081	liquid alloy: Li 0.9051, Si 0.0949	experimental	[3] Braga 2014	Table 1, p. 4, row 3 report
Enthalpy of mixing printed: ΔHmix.	-18.5 kJ/mol (basis unstated) ± 1	1081	liquid alloy: Li 0.8711, Si 0.1289	experimental	[3] Braga 2014	Table 1, p. 4, row 4 report
Enthalpy of mixing printed: ΔHmix.	-3.4 kJ/mol (basis unstated) ± 1	1081	liquid alloy: Li 0.9753, Si 0.0247	experimental	[3] Braga 2014	Table 1, p. 4, row 1 report
Enthalpy of mixing printed: ΔHmix.	-22.8 kJ/mol (basis unstated) ± 1	1081	liquid alloy: Li 0.8438, Si 0.1562	experimental	[3] Braga 2014	Table 1, p. 4, row 5 report
Enthalpy of mixing printed: ΔHmix.	-21.1 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.8171, Si 0.1829	experimental	[3] Braga 2014	Table 1, p. 4, row 17 report
Enthalpy of mixing printed: ΔHmix.	-28.5 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.7283, Si 0.2717	experimental	[3] Braga 2014	Table 1, p. 4, row 11 report
Enthalpy of mixing printed: ΔHmix.	-29.4 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.5409, Si 0.4591	experimental	[3] Braga 2014	Table 1, p. 4, row 10 report
Enthalpy of mixing printed: ΔHmix.	-29.8 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.6548, Si 0.3452	experimental	[3] Braga 2014	Table 1, p. 4, row 24 report
Enthalpy of mixing printed: ΔHmix.	-26.7 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.756, Si 0.244	experimental	[3] Braga 2014	Table 1, p. 4, row 20 report
Enthalpy of mixing printed: ΔHmix.	-18 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.8413, Si 0.1587	experimental	[3] Braga 2014	Table 1, p. 4, row 12 report
Enthalpy of mixing printed: ΔHmix.	-25.6 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.7728, Si 0.2272	experimental	[3] Braga 2014	Table 1, p. 4, row 19 report
Enthalpy of mixing printed: ΔHmix.	-29 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.7029, Si 0.2971	experimental	[3] Braga 2014	Table 1, p. 4, row 22 report
Enthalpy of mixing printed: ΔHmix.	-29.7 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.6695, Si 0.3305	experimental	[3] Braga 2014	Table 1, p. 4, row 23 report
Enthalpy of mixing printed: ΔHmix.	-28.1 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.7281, Si 0.2719	experimental	[3] Braga 2014	Table 1, p. 4, row 21 report
Enthalpy of mixing printed: ΔHmix.	-18.6 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.8362, Si 0.1638	experimental	[3] Braga 2014	Table 1, p. 4, row 16 report
Enthalpy of mixing printed: ΔHmix.	-15.2 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.8613, Si 0.1387	experimental	[3] Braga 2014	Table 1, p. 4, row 15 report
Enthalpy of mixing printed: ΔHmix.	-12.1 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.8828, Si 0.1172	experimental	[3] Braga 2014	Table 1, p. 4, row 14 report
Enthalpy of mixing printed: ΔHmix.	-8.9 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.9038, Si 0.0962	experimental	[3] Braga 2014	Table 1, p. 4, row 13 report
Enthalpy of mixing printed: ΔHmix.	-24.1 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.79, Si 0.21	experimental	[3] Braga 2014	Table 1, p. 4, row 18 report
Enthalpy of mixing printed: ΔHmix.	-28.3 kJ/mol (basis unstated) ± 0.5	1089	liquid alloy: Li 0.4998, Si 0.5002	experimental	[3] Braga 2014	Table 1, p. 4, row 9 report
Enthalpy of mixing printed: ΔHmix.	-31.9 kJ/mol (basis unstated) ± 0.5	1092	liquid alloy: Li 0.6454, Si 0.3546	experimental	[3] Braga 2014	Table 1, p. 4, row 6 report
Enthalpy of mixing printed: ΔHmix.	-25.7 kJ/mol (basis unstated) ± 0.5	1092	liquid alloy: Li 0.7968, Si 0.2032	experimental	[3] Braga 2014	Table 1, p. 4, row 7 report
Enthalpy of mixing printed: ΔHmix.	-15.2 kJ/mol (basis unstated) ± 0.5	1092	liquid alloy: Li 0.875, Si 0.125	experimental	[3] Braga 2014	Table 1, p. 4, row 8 report

Crystal structure (31)

Crystal structure, Li–Si system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	8.61 Å	298.15	Li12Si7 alloy: Si 0.368421	model	[4] Long 2018 cites Okamoto 1990 doi	Table 1, p. 2, row 6 report
Lattice a	8.6 Å	298.15	Li12Si7 alloy: Si 0.368421	experimental	[1] Liang 2017 cites Nesper 1986 doi	Table 1, p. 2, row 10 report
Lattice a	7.9488 Å ± 4.000e-4	298.15	Li13Si4 alloy: Si 0.235294	experimental	[1] Liang 2017 cites Zeilinger 2013 doi	Table 1, p. 2, row 6 report
Lattice a	7.99 Å	298.15	Li13Si4 alloy: Si 0.235294	model	[4] Long 2018 cites Okamoto 1990 doi	Table 1, p. 2, row 4 report
Lattice a	10.6322 Å ± 9.000e-4	298.15	Li15Si4 alloy: Si 0.210526	experimental	[1] Liang 2017 cites Zeilinger 2013 doi	Table 1, p. 2, row 5 report
Lattice a	18.7259 Å ± 1.000e-4	298.15	Li17Si4 alloy: Si 0.190476	experimental	[1] Liang 2017 cites Zeilinger 2013 doi	Table 1, p. 2, row 1 report
Lattice a	18.71 Å	298.15	Li21Si5 alloy: Si 0.192308	experimental	[1] Liang 2017 cites Nesper 1987 doi	Table 1, p. 2, row 3 report
Lattice a	18.75 Å	298.15	Li22Si5 alloy: Si 0.185185	experimental	[1] Liang 2017 cites Axel 1966 doi	Table 1, p. 2, row 2 report
Lattice a	18.751 Å	298.15	Li22Si5 alloy: Si 0.185185	model	[4] Long 2018 cites Okamoto 1990 doi	Table 1, p. 2, row 3 report
Lattice a	7.7 Å	298.15	Li2Si alloy: Si 0.333333	experimental	[1] Liang 2017 cites Axel 1965 doi	Table 1, p. 2, row 9 report
Lattice a	4.5246 Å ± 2.000e-4	298.15	Li4.11Si or Li16.42Si4	experimental	[1] Liang 2017 cites Zeilinger 2013 doi	Table 1, p. 2, row 4 report
Lattice a	7.99 Å	298.15	Li7Si2 alloy: Si 0.222222	experimental	[1] Liang 2017 cites Sch 1965	Table 1, p. 2, row 7 report
Lattice a	4.435 Å ± 0.001	298.15	Li7Si3 alloy: Si 0.3	experimental	[1] Liang 2017 cites H 1980	Table 1, p. 2, row 8 report
Lattice a	4.435 Å	298.15	Li7Si3 alloy: Si 0.3	model	[4] Long 2018 cites Okamoto 1990 doi	Table 1, p. 2, row 5 report
Lattice a	9.3545 Å ± 5.000e-4	298.15	LiSi alloy: Si 0.5	experimental	[1] Liang 2017 cites Tang 2013 doi	Table 1, p. 2, row 11 report
Lattice b	19.738 Å	298.15	Li12Si7 alloy: Si 0.368421	model	[4] Long 2018 cites Okamoto 1990 doi	Table 1, p. 2, row 6 report
Lattice b	19.755 Å	298.15	Li12Si7 alloy: Si 0.368421	experimental	[1] Liang 2017 cites Nesper 1986 doi	Table 1, p. 2, row 10 report
Lattice b	15.1248 Å ± 8.000e-4	298.15	Li13Si4 alloy: Si 0.235294	experimental	[1] Liang 2017 cites Zeilinger 2013 doi	Table 1, p. 2, row 6 report
Lattice b	15.21 Å	298.15	Li13Si4 alloy: Si 0.235294	model	[4] Long 2018 cites Okamoto 1990 doi	Table 1, p. 2, row 4 report
Lattice b	4.41 Å	298.15	Li2Si alloy: Si 0.333333	experimental	[1] Liang 2017 cites Axel 1965 doi	Table 1, p. 2, row 9 report
Lattice b	21.944 Å ± 0.001	298.15	Li4.11Si or Li16.42Si4	experimental	[1] Liang 2017 cites Zeilinger 2013 doi	Table 1, p. 2, row 4 report
Lattice b	15.21 Å	298.15	Li7Si2 alloy: Si 0.222222	experimental	[1] Liang 2017 cites Sch 1965	Table 1, p. 2, row 7 report
Lattice c	14.341 Å	298.15	Li12Si7 alloy: Si 0.368421	model	[4] Long 2018 cites Okamoto 1990 doi	Table 1, p. 2, row 6 report
Lattice c	14.336 Å	298.15	Li12Si7 alloy: Si 0.368421	experimental	[1] Liang 2017 cites Nesper 1986 doi	Table 1, p. 2, row 10 report
Lattice c	4.4661 Å ± 2.000e-4	298.15	Li13Si4 alloy: Si 0.235294	experimental	[1] Liang 2017 cites Zeilinger 2013 doi	Table 1, p. 2, row 6 report
Lattice c	4.43 Å	298.15	Li13Si4 alloy: Si 0.235294	model	[4] Long 2018 cites Okamoto 1990 doi	Table 1, p. 2, row 4 report
Lattice c	6.56 Å	298.15	Li2Si alloy: Si 0.333333	experimental	[1] Liang 2017 cites Axel 1965 doi	Table 1, p. 2, row 9 report
Lattice c	13.2001 Å ± 6.000e-4	298.15	Li4.11Si or Li16.42Si4	experimental	[1] Liang 2017 cites Zeilinger 2013 doi	Table 1, p. 2, row 4 report
Lattice c	4.43 Å	298.15	Li7Si2 alloy: Si 0.222222	experimental	[1] Liang 2017 cites Sch 1965	Table 1, p. 2, row 7 report
Lattice c	18.134 Å ± 0.003	298.15	Li7Si3 alloy: Si 0.3	experimental	[1] Liang 2017 cites H 1980	Table 1, p. 2, row 8 report
Lattice c	5.7374 Å ± 5.000e-4	298.15	LiSi alloy: Si 0.5	experimental	[1] Liang 2017 cites Tang 2013 doi	Table 1, p. 2, row 11 report

Sources

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

Song-Mao Liang, Franziska Taubert, Artem Kozlov, Jürgen Seidel, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamics of Li-Si and Li-Si-H phase diagrams applied to hydrogen absorption and Li-ion batteries, Intermetallics 81, 32-46 (2017). doi:10.1016/j.intermet.2017.02.024
Peisheng Wang, Artem Kozlov, Daniel Thomas, Florian Mertens, Rainer Schmid-Fetzer, Thermodynamic analysis of the Li–Si phase equilibria from 0 K to liquidus temperatures, Intermetallics 42, 137-145 (2013). doi:10.1016/j.intermet.2013.06.003
M. Helena Braga, Adam Dębski, Władysław Gąsior, Li–Si phase diagram: Enthalpy of mixing, thermodynamic stability, and coherent assessment, Journal of Alloys and Compounds 616, 581-593 (2014). doi:10.1016/j.jallcom.2014.06.212
Zhaohui Long, Xiaorong Dai, Zhi Li, Fucheng Yin, Zhanpeng Jin, Experimental investigation and thermodynamic description of the Li–Si–Mn ternary system, Journal of Alloys and Compounds 768, 686-696 (2018). doi:10.1016/j.jallcom.2018.07.211

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}
}