Si–Ti system

17 accepted literature values from 2 paper(s) (model 9, DFT 8); 6 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 (10) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
model	9
DFT	8

Accepted values by property group
Property group	Values
invariant reaction	7
phase transition	2
formation	4
crystal structure	4

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
SiTi-04Tok.tdb	T. Tokunaga, K. Hashima, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 45, 1507-14(2004). doi:10.2320/matertrans.45.1507	`914a8080a08e0d0876d58e09cb28f902e4c4b3fc60f927d49b5642a616248587`	viewer · TDB · JSON
SiTi-16Li.tdb	Y. Li, Q.F. Gu, Q. Luo, Y. Pang, S.L. Chen, K.C. Chou, X.L. Wang, Q. Li, Mater. Design, 102, 78-90(2016). doi:10.1016/j.matdes.2016.03.144	`249f99828de0d9f753ede281c81c2cf9151298b08e1d836c9321f718c41e8a40`	viewer · TDB · JSON
SiTi-89Vah.tdb	C. Vahlas, P.-Y. Chevalier, E. Blanquet, Calphad, 13, 273-92(1989). doi:10.1016/0364-5916(89)90007-2	`340b3dde954d928fcf2157e208f91f9af61ea3928f483ab70cb1eea15cb86edc`	viewer · TDB · JSON
SiTi-96Sei-LB.tdb	H.J. Seifert, H.L. Lukas, G. Petzow, Z. Metallkd., 87, 2-13(1996). doi:10.1515/ijmr-1996-870102	`04320d8e6f0d87ccd45d3114f4ec97bbc4b8bbcfc9fa67db69952fca1cca6884`	viewer · TDB · JSON
SiTi-96Sei-alt.tdb	H.J. Seifert, H.L. Lukas, G. Petzow, Z. Metallkd., 87, 2-13(1996). doi:10.1515/ijmr-1996-870102	`173d79550eb4e8d4bf0bfb6928236289b7df9a25bc090af257d90a0a8c5c2874`	viewer · TDB · JSON
SiTi-98Sei.tdb	H.J. Seifert, unpublished, 1998.	`da63bd3cc5dd4072f7a2fb9df443d0abf447999a53ae4aaa92229653a61c18c8`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
SiTi-04Tok.tdb	2192.77	LIQUID (x(Ti) 0.50636) + SI4TI5 (x(Ti) 0.55556) + SI3TI5_D88 (x(Ti) 0.61035)
SiTi-04Tok.tdb	2192.77	LIQUID (x(Ti) 0.50629) + SI4TI5 (x(Ti) 0.55556) + SI3TI5_D88 (x(Ti) 0.61033)
SiTi-04Tok.tdb	1842.77	LIQUID (x(Ti) 0.38854) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-04Tok.tdb	1842.77	LIQUID (x(Ti) 0.38867) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-04Tok.tdb	1842.77	LIQUID (x(Ti) 0.3885) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-04Tok.tdb	1766.61	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.35967) + SITI_B27 (x(Ti) 0.5)
SiTi-04Tok.tdb	1766.6	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.35942) + SITI_B27 (x(Ti) 0.5)
SiTi-04Tok.tdb	1766.6	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.35932) + SITI_B27 (x(Ti) 0.5)
SiTi-04Tok.tdb	1607.15	SI3TI5_D88 (x(Ti) 0.64025) + LIQUID (x(Ti) 0.8691) + BCC_A2 (x(Ti) 0.95258)
SiTi-04Tok.tdb	1602.72	DIAMOND_A4 (x(Ti) 0) + LIQUID (x(Ti) 0.15949) + SI2TI_C54 (x(Ti) 0.33333)
SiTi-04Tok.tdb	1602.72	DIAMOND_A4 (x(Ti) 0) + LIQUID (x(Ti) 0.15925) + SI2TI_C54 (x(Ti) 0.33333)
SiTi-04Tok.tdb	1443.54	SI3TI5_D88 (x(Ti) 0.63838) + SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.96388)
SiTi-04Tok.tdb	1443.54	SI3TI5_D88 (x(Ti) 0.63838) + SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.96388)
SiTi-04Tok.tdb	1132.16	SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.98742) + HCP_A3 (x(Ti) 0.99403)
SiTi-04Tok.tdb	1132.16	SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.98745) + HCP_A3 (x(Ti) 0.99405)
SiTi-16Li.tdb	2198.2	LIQUID (x(Ti) 0.51559) + SI4TI5 (x(Ti) 0.55556) + SI3TI5_D88 (x(Ti) 0.625)
SiTi-16Li.tdb	2198.2	LIQUID (x(Ti) 0.51556) + SI4TI5 (x(Ti) 0.55556) + SI3TI5_D88 (x(Ti) 0.625)
SiTi-16Li.tdb	2198.2	LIQUID (x(Ti) 0.51589) + SI4TI5 (x(Ti) 0.55556) + SI3TI5_D88 (x(Ti) 0.625)
SiTi-16Li.tdb	1843.2	LIQUID (x(Ti) 0.39612) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-16Li.tdb	1843.19	LIQUID (x(Ti) 0.39602) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-16Li.tdb	1843.19	LIQUID (x(Ti) 0.39595) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-16Li.tdb	1746.71	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.36655) + SITI_B27 (x(Ti) 0.5)
SiTi-16Li.tdb	1746.71	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.36664) + SITI_B27 (x(Ti) 0.5)
SiTi-16Li.tdb	1746.71	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.36647) + SITI_B27 (x(Ti) 0.5)
SiTi-16Li.tdb	1612.34	SI3TI5_D88 (x(Ti) 0.625) + LIQUID (x(Ti) 0.86743) + BCC_A2 (x(Ti) 0.94928)
SiTi-16Li.tdb	1612.34	SI3TI5_D88 (x(Ti) 0.625) + LIQUID (x(Ti) 0.86747) + BCC_A2 (x(Ti) 0.9493)
SiTi-16Li.tdb	1601.81	DIAMOND_A4 (x(Ti) 0) + LIQUID (x(Ti) 0.19986) + SI2TI_C54 (x(Ti) 0.33333)
SiTi-16Li.tdb	1601.81	DIAMOND_A4 (x(Ti) 0) + LIQUID (x(Ti) 0.19966) + SI2TI_C54 (x(Ti) 0.33333)
SiTi-16Li.tdb	1442.06	SI3TI5_D88 (x(Ti) 0.625) + SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.96248)
SiTi-16Li.tdb	1442.06	SI3TI5_D88 (x(Ti) 0.625) + SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.9625)
SiTi-16Li.tdb	1442.06	SI3TI5_D88 (x(Ti) 0.625) + SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.96246)
SiTi-16Li.tdb	1133.99	SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.98888) + HCP_A3 (x(Ti) 0.99619)
SiTi-16Li.tdb	1133.99	SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.98895) + HCP_A3 (x(Ti) 0.99622)
SiTi-89Vah.tdb	2169.61	LIQUID (x(Ti) 0.50818) + SI4TI5 (x(Ti) 0.55556) + SI3TI5_D88 (x(Ti) 0.625)
SiTi-89Vah.tdb	2169.61	LIQUID (x(Ti) 0.50815) + SI4TI5 (x(Ti) 0.55556) + SI3TI5_D88 (x(Ti) 0.625)
SiTi-89Vah.tdb	2169.61	LIQUID (x(Ti) 0.50821) + SI4TI5 (x(Ti) 0.55556) + SI3TI5_D88 (x(Ti) 0.625)
SiTi-89Vah.tdb	1815.7	LIQUID (x(Ti) 0.38784) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-89Vah.tdb	1815.7	LIQUID (x(Ti) 0.38794) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-89Vah.tdb	1815.7	LIQUID (x(Ti) 0.38783) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-89Vah.tdb	1748.07	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.36273) + SITI_B27 (x(Ti) 0.5)
SiTi-89Vah.tdb	1748.07	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.3631) + SITI_B27 (x(Ti) 0.5)
SiTi-89Vah.tdb	1748.07	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.36264) + SITI_B27 (x(Ti) 0.5)
SiTi-89Vah.tdb	1608.86	SI3TI5_D88 (x(Ti) 0.625) + LIQUID (x(Ti) 0.86201) + BCC_A2 (x(Ti) 0.95423)
SiTi-89Vah.tdb	1608.86	SI3TI5_D88 (x(Ti) 0.625) + LIQUID (x(Ti) 0.86203) + BCC_A2 (x(Ti) 0.95424)
SiTi-89Vah.tdb	1602.24	DIAMOND_A4 (x(Ti) 0) + LIQUID (x(Ti) 0.15238) + SI2TI_C54 (x(Ti) 0.33333)
SiTi-89Vah.tdb	1602.24	DIAMOND_A4 (x(Ti) 0) + LIQUID (x(Ti) 0.15212) + SI2TI_C54 (x(Ti) 0.33333)
SiTi-89Vah.tdb	1505.67	SI3TI5_D88 (x(Ti) 0.625) + SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.95602)
SiTi-89Vah.tdb	1505.67	SI3TI5_D88 (x(Ti) 0.625) + SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.95602)
SiTi-89Vah.tdb	1505.67	SI3TI5_D88 (x(Ti) 0.625) + SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.95602)
SiTi-89Vah.tdb	1122.24	SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.98942) + HCP_A3 (x(Ti) 0.99994)
SiTi-89Vah.tdb	1122.24	SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.98944) + HCP_A3 (x(Ti) 0.99994)
SiTi-89Vah.tdb	1122.24	SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.98944) + HCP_A3 (x(Ti) 0.99994)
SiTi-96Sei-LB.tdb	2192.57	LIQUID (x(Ti) 0.5094) + SI4TI5 (x(Ti) 0.55556) + SI3TI5_D88 (x(Ti) 0.60233)
SiTi-96Sei-LB.tdb	2192.57	LIQUID (x(Ti) 0.50934) + SI4TI5 (x(Ti) 0.55556) + SI3TI5_D88 (x(Ti) 0.60231)
SiTi-96Sei-LB.tdb	1842.83	LIQUID (x(Ti) 0.39558) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-96Sei-LB.tdb	1842.83	LIQUID (x(Ti) 0.3957) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-96Sei-LB.tdb	1842.83	LIQUID (x(Ti) 0.39554) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-96Sei-LB.tdb	1747.41	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.36347) + SITI_B27 (x(Ti) 0.5)
SiTi-96Sei-LB.tdb	1747.41	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.36366) + SITI_B27 (x(Ti) 0.5)
SiTi-96Sei-LB.tdb	1747.41	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.36338) + SITI_B27 (x(Ti) 0.5)
SiTi-96Sei-LB.tdb	1612.98	SI3TI5_D88 (x(Ti) 0.64388) + LIQUID (x(Ti) 0.86917) + BCC_A2 (x(Ti) 0.95114)
SiTi-96Sei-LB.tdb	1604.27	DIAMOND_A4 (x(Ti) 0) + LIQUID (x(Ti) 0.18514) + SI2TI_C54 (x(Ti) 0.33333)
SiTi-96Sei-LB.tdb	1604.27	DIAMOND_A4 (x(Ti) 0) + LIQUID (x(Ti) 0.18513) + SI2TI_C54 (x(Ti) 0.33333)
SiTi-96Sei-LB.tdb	1443.22	SI3TI5_D88 (x(Ti) 0.64094) + SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.9631)
SiTi-96Sei-LB.tdb	1443.22	SI3TI5_D88 (x(Ti) 0.64094) + SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.96311)
SiTi-96Sei-LB.tdb	1139.39	SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.98826) + HCP_A3 (x(Ti) 0.99509)
SiTi-96Sei-LB.tdb	1139.38	SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.98834) + HCP_A3 (x(Ti) 0.99512)
SiTi-96Sei-alt.tdb	2192.81	LIQUID (x(Ti) 0.51607) + SI4TI5 (x(Ti) 0.55556) + SI3TI5_D88 (x(Ti) 0.625)
SiTi-96Sei-alt.tdb	2192.81	LIQUID (x(Ti) 0.516) + SI4TI5 (x(Ti) 0.55556) + SI3TI5_D88 (x(Ti) 0.625)
SiTi-96Sei-alt.tdb	2192.81	LIQUID (x(Ti) 0.51624) + SI4TI5 (x(Ti) 0.55556) + SI3TI5_D88 (x(Ti) 0.625)
SiTi-96Sei-alt.tdb	1843.04	LIQUID (x(Ti) 0.38852) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-96Sei-alt.tdb	1843.04	LIQUID (x(Ti) 0.38861) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-96Sei-alt.tdb	1843.04	LIQUID (x(Ti) 0.38848) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-96Sei-alt.tdb	1744.17	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.35262) + SITI_B27 (x(Ti) 0.5)
SiTi-96Sei-alt.tdb	1744.17	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.35263) + SITI_B27 (x(Ti) 0.5)
SiTi-96Sei-alt.tdb	1744.17	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.35255) + SITI_B27 (x(Ti) 0.5)
SiTi-96Sei-alt.tdb	1612.84	SI3TI5_D88 (x(Ti) 0.625) + LIQUID (x(Ti) 0.87409) + BCC_A2 (x(Ti) 0.95046)
SiTi-96Sei-alt.tdb	1612.84	SI3TI5_D88 (x(Ti) 0.625) + LIQUID (x(Ti) 0.87415) + BCC_A2 (x(Ti) 0.95054)
SiTi-96Sei-alt.tdb	1603.97	DIAMOND_A4 (x(Ti) 0) + LIQUID (x(Ti) 0.18135) + SI2TI_C54 (x(Ti) 0.33333)
SiTi-96Sei-alt.tdb	1603.97	DIAMOND_A4 (x(Ti) 0) + LIQUID (x(Ti) 0.18121) + SI2TI_C54 (x(Ti) 0.33333)
SiTi-96Sei-alt.tdb	1443.22	SI3TI5_D88 (x(Ti) 0.625) + SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.9632)
SiTi-96Sei-alt.tdb	1443.22	SI3TI5_D88 (x(Ti) 0.625) + SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.96322)
SiTi-96Sei-alt.tdb	1443.22	SI3TI5_D88 (x(Ti) 0.625) + SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.96317)
SiTi-96Sei-alt.tdb	1137.64	SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.98856) + HCP_A3 (x(Ti) 0.99581)
SiTi-96Sei-alt.tdb	1137.63	SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.9887) + HCP_A3 (x(Ti) 0.99586)
SiTi-98Sei.tdb	2191.41	LIQUID (x(Ti) 0.50498) + SI4TI5 (x(Ti) 0.55556) + SI3TI5_D88 (x(Ti) 0.6013)
SiTi-98Sei.tdb	2191.41	LIQUID (x(Ti) 0.50489) + SI4TI5 (x(Ti) 0.55556) + SI3TI5_D88 (x(Ti) 0.60127)
SiTi-98Sei.tdb	1844.9	LIQUID (x(Ti) 0.3866) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-98Sei.tdb	1844.9	LIQUID (x(Ti) 0.38672) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-98Sei.tdb	1844.9	LIQUID (x(Ti) 0.38653) + SITI_B27 (x(Ti) 0.5) + SI4TI5 (x(Ti) 0.55556)
SiTi-98Sei.tdb	1758.44	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.35412) + SITI_B27 (x(Ti) 0.5)
SiTi-98Sei.tdb	1758.44	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.35438) + SITI_B27 (x(Ti) 0.5)
SiTi-98Sei.tdb	1758.44	SI2TI_C54 (x(Ti) 0.33333) + LIQUID (x(Ti) 0.35403) + SITI_B27 (x(Ti) 0.5)
SiTi-98Sei.tdb	1609.79	SI3TI5_D88 (x(Ti) 0.64398) + LIQUID (x(Ti) 0.85257) + BCC_A2 (x(Ti) 0.96111)
SiTi-98Sei.tdb	1603.27	DIAMOND_A4 (x(Ti) 0) + LIQUID (x(Ti) 0.14174) + SI2TI_C54 (x(Ti) 0.33333)
SiTi-98Sei.tdb	1603.27	DIAMOND_A4 (x(Ti) 0) + LIQUID (x(Ti) 0.14169) + SI2TI_C54 (x(Ti) 0.33333)
SiTi-98Sei.tdb	1443.15	SI3TI5_D88 (x(Ti) 0.64177) + SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.9708)
SiTi-98Sei.tdb	1443.15	SI3TI5_D88 (x(Ti) 0.64177) + SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.97082)
SiTi-98Sei.tdb	1135.3	SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.98863) + HCP_A3 (x(Ti) 0.99439)
SiTi-98Sei.tdb	1135.3	SITI3 (x(Ti) 0.75) + BCC_A2 (x(Ti) 0.98872) + HCP_A3 (x(Ti) 0.99445)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull SiTi-04Tok · CALPHAD hull SiTi-89Vah · CALPHAD hull SiTi-96Sei-LB · CALPHAD hull SiTi-96Sei-alt · CALPHAD hull SiTi-98Sei

Invariant reactions (literature)

Invariant reactions reported in the literature for the Si–Ti system (7)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
2192.6	peritectic: Liquid + Si3Ti5 -> Si4Ti5	Liquid: Ti 0.509; Si3Ti5: Ti 0.602; Si4Ti5: Ti 0.555	model	[1] (ed.) 1998	Table I, p. 284, row 5 report
1842.8	peritectic: Liquid + Si4Ti5 -> SiTi	Liquid: Ti 0.396; Si4Ti5: Ti 0.556; SiTi: Ti 0.5	model	[1] (ed.) 1998	Table I, p. 284, row 4 report
1747.4	eutectic: Liquid -> Si2Ti + SiTi	Liquid: Ti 0.363; Si2Ti: Ti 0.333; SiTi: Ti 0.5	model	[1] (ed.) 1998	Table I, p. 284, row 2 report
1613	eutectic: Liquid -> Si3Ti5 + bcc-A2	Liquid: Ti 0.869; Si3Ti5: Ti 0.644; bcc-A2: Ti 0.951	model	[1] (ed.) 1998	Table I, p. 284, row 7 report
1604.3	eutectic: Liquid -> diamond + Si2Ti	Liquid: Ti 0.185; diamond: Ti 0; Si2Ti: Ti 0.333	model	[1] (ed.) 1998	Table I, p. 284, row 1 report
1443.2	peritectoid: Si3Ti5 + bcc-A2 -> SiTi3	Si3Ti5: Ti 0.641; bcc-A2: Ti 0.963; SiTi3: Ti 0.75	model	[1] (ed.) 1998	Table I, p. 284, row 8 report
1139.4	eutectoid: bcc-A2 -> SiTi3 + hcp-A3	bcc-A2: Ti 0.988; SiTi3: Ti 0.75; hcp-A3: Ti 0.995	model	[1] (ed.) 1998	Table I, p. 284, 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, Si–Ti system (4)
Phase	Value	Class	Source	Location
Si3Ti(L12)	-4.51 kJ/mol-atom	DFT	[2] Tokunaga 2004	Table 2, p. 3, row 8 report
SiTi(B2)	-26.67 kJ/mol-atom	DFT	[2] Tokunaga 2004	Table 2, p. 3, row 4 report
Ti3Si(D024)	-42.33 kJ/mol-atom	DFT	[2] Tokunaga 2004	Table 2, p. 3, row 14 report
Ti3Si(L12)	-41.57 kJ/mol-atom	DFT	[2] Tokunaga 2004	Table 2, p. 3, row 9 report

Other properties

Phase transition (2)

Phase transition, Si–Ti system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	1757 K	1757	congruent melting: Si2Ti -> Liquid Si2Ti: Ti 0.333; Liquid: Ti 0.333	model	[1] (ed.) 1998	Table I, p. 284, row 3 report
Phase transition	2394 K	2394	congruent melting: Si3Ti5 -> Liquid Si3Ti5: Ti 0.625; Liquid: Ti 0.625	model	[1] (ed.) 1998	Table I, p. 284, row 6 report

Crystal structure (4)

Crystal structure, Si–Ti system
Property	Value	Phases / composition	Class	Source	Location
Lattice a printed: a	3.8409 Å	Si3Ti(L12) alloy: Si 0.75, Ti 0.25	DFT	[2] Tokunaga 2004	Table 2, p. 3, row 8 report
Lattice a printed: a	3.1161 Å	SiTi(B2) alloy: Si 0.5, Ti 0.5	DFT	[2] Tokunaga 2004	Table 2, p. 3, row 4 report
Lattice a printed: a	5.6223 Å	Ti3Si(D024) alloy: Si 0.25, Ti 0.75	DFT	[2] Tokunaga 2004	Table 2, p. 3, row 14 report
Lattice c printed: c	9.1503 Å	Ti3Si(D024) alloy: Si 0.25, Ti 0.75	DFT	[2] Tokunaga 2004	Table 2, p. 3, row 14 report

Sources

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

I. Ansara, A. T. Dinsdale, M. H. Rand (eds.), COST 507: Thermochemical database for light metal alloys, Volume 2, EUR 18499 EN, Office for Official Publications of the European Communities, Luxembourg (1998), ISBN 92-828-3902-8.
Tatsuya Tokunaga, Koji Hashima, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ni-Si-Ti System Using Thermochemical Properties Determined from Ab Initio Calculations, Mater. Trans. 45, 1507-1514 (2004). doi:10.2320/matertrans.45.1507

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}
}