Ca–Si system

78 accepted literature values from 2 paper(s) (experimental 42, model 29, unspecified 7); 2 calculated phase diagram(s). 5 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 (11) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence classValues
experimental42
model29
unspecified7
Accepted values by property group
Property groupValues
invariant reaction21
phase transition6
formation51

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 fileAssessmentSHA-256Links
CaSi-03Gro.tdbJ. Groebner, I. Chumak, R. Schmid-Fetzer, Intermetallics, 11, 1065-74(2003). doi:10.1016/j.intermet.2003.07.001ee18ca4a4c4fd9e2c0777266deedd8b283b275ee7b41450d2903a7a01d2f461eviewer · TDB · JSON
CaSi-94Ang-LB.tdbJ.C. Anglezio, C. Servant, I. Ansara, Calphad, 18, 273-309(1994). doi:10.1016/0364-5916(94)90034-51769fd4ca474bf20167a3d46eefb122b4ca3e2c446f36cc9d6c9425435323721viewer · TDB · JSON
Calculated three-phase invariants (model, mole fraction of the second component)
TDB fileT (K)Phases at the invariant
CaSi-03Gro.tdb1509.27CA2SI_C37 (x(Si) 0.33333) + CA5SI3_D8L (x(Si) 0.375) + LIQUID (x(Si) 0.40168)
CaSi-03Gro.tdb1509.27CA2SI_C37 (x(Si) 0.33333) + CA5SI3_D8L (x(Si) 0.375) + LIQUID (x(Si) 0.40171)
CaSi-03Gro.tdb1509.27CA2SI_C37 (x(Si) 0.33333) + CA5SI3_D8L (x(Si) 0.375) + LIQUID (x(Si) 0.40158)
CaSi-03Gro.tdb1508.51CA5SI3_D8L (x(Si) 0.375) + LIQUID (x(Si) 0.40465) + CASI_B33 (x(Si) 0.5)
CaSi-03Gro.tdb1508.51CA5SI3_D8L (x(Si) 0.375) + LIQUID (x(Si) 0.40475) + CASI_B33 (x(Si) 0.5)
CaSi-03Gro.tdb1356.72CASI_B33 (x(Si) 0.5) + CA14SI19 (x(Si) 0.57576) + LIQUID (x(Si) 0.70287)
CaSi-03Gro.tdb1356.72CASI_B33 (x(Si) 0.5) + CA14SI19 (x(Si) 0.57576) + LIQUID (x(Si) 0.70285)
CaSi-03Gro.tdb1302.31CA14SI19 (x(Si) 0.57576) + CASI2_C12 (x(Si) 0.66667) + LIQUID (x(Si) 0.74512)
CaSi-03Gro.tdb1302.31CA14SI19 (x(Si) 0.57576) + CASI2_C12 (x(Si) 0.66667) + LIQUID (x(Si) 0.74524)
CaSi-03Gro.tdb1302.31CA14SI19 (x(Si) 0.57576) + CASI2_C12 (x(Si) 0.66667) + LIQUID (x(Si) 0.74525)
CaSi-03Gro.tdb1297.7CASI2_C12 (x(Si) 0.66667) + LIQUID (x(Si) 0.75194) + DIAMOND_A4 (x(Si) 1)
CaSi-03Gro.tdb1297.7CASI2_C12 (x(Si) 0.66667) + LIQUID (x(Si) 0.75202) + DIAMOND_A4 (x(Si) 1)
CaSi-03Gro.tdb1297.7CASI2_C12 (x(Si) 0.66667) + LIQUID (x(Si) 0.75213) + DIAMOND_A4 (x(Si) 1)
CaSi-03Gro.tdb1206.52CASI_B33 (x(Si) 0.5) + CA3SI4 (x(Si) 0.57143) + CA14SI19 (x(Si) 0.57576)
CaSi-03Gro.tdb1149.13CA3SI4 (x(Si) 0.57143) + CA14SI19 (x(Si) 0.57576) + CASI2_C12 (x(Si) 0.66667)
CaSi-03Gro.tdb1071.35BCC_A2 (x(Si) 0) + LIQUID (x(Si) 0.02738) + CA2SI_C37 (x(Si) 0.33333)
CaSi-03Gro.tdb716.03BCC_A2 (x(Si) 0) + FCC_A1 (x(Si) 0) + CA2SI_C37 (x(Si) 0.33333)
CaSi-94Ang-LB.tdb1519.66CA2SI_C37 (x(Si) 0.33333) + LIQUID (x(Si) 0.41488) + CASI_B33 (x(Si) 0.5)
CaSi-94Ang-LB.tdb1519.66CA2SI_C37 (x(Si) 0.33333) + LIQUID (x(Si) 0.41495) + CASI_B33 (x(Si) 0.5)
CaSi-94Ang-LB.tdb1519.66CA2SI_C37 (x(Si) 0.33333) + LIQUID (x(Si) 0.41476) + CASI_B33 (x(Si) 0.5)
CaSi-94Ang-LB.tdb1303.36CASI_B33 (x(Si) 0.5) + CASI2_C12 (x(Si) 0.66667) + LIQUID (x(Si) 0.67985)
CaSi-94Ang-LB.tdb1303.35CASI_B33 (x(Si) 0.5) + CASI2_C12 (x(Si) 0.66667) + LIQUID (x(Si) 0.68029)
CaSi-94Ang-LB.tdb1300.06CASI2_C12 (x(Si) 0.66667) + LIQUID (x(Si) 0.69677) + DIAMOND_A4 (x(Si) 1)
CaSi-94Ang-LB.tdb1300.06CASI2_C12 (x(Si) 0.66667) + LIQUID (x(Si) 0.69682) + DIAMOND_A4 (x(Si) 1)
CaSi-94Ang-LB.tdb1300.06CASI2_C12 (x(Si) 0.66667) + LIQUID (x(Si) 0.69725) + DIAMOND_A4 (x(Si) 1)
CaSi-94Ang-LB.tdb1048.93BCC_A2 (x(Si) 0) + LIQUID (x(Si) 0.06359) + CA2SI_C37 (x(Si) 0.33333)
CaSi-94Ang-LB.tdb716.03BCC_A2 (x(Si) 0) + FCC_A1 (x(Si) 0) + CA2SI_C37 (x(Si) 0.33333)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull CaSi-94Ang-LB

Invariant reactions (literature)

Invariant reactions reported in the literature for the Ca–Si system (21)
T (K)Reaction / phasesCompositions (mole fraction)ClassSourceLocationQuote
1532.15other: L + Ca2Si = Ca5Si3Ca2Si: Si 0.333333; Ca5Si3: Si 0.375experimental[1] Gröbner 2003
cites Schurmann 1975 doi
Table 2, p. 4, row 7
report
1513.15other: L + Ca2Si = Ca5Si3Ca2Si: Si 0.333333; Ca5Si3: Si 0.375experimental[1] Gröbner 2003
cites Manfrinetti 2000 doi
Table 2, p. 4, row 8
report
1509.15other: L + Ca2Si = Ca5Si3Ca2Si: Si 0.333333; Ca5Si3: Si 0.375model[1] Gröbner 2003Table 2, p. 4, row 9
report
1508.15other: L = Ca5Si3 + CaSiCa5Si3: Si 0.375; CaSi: Si 0.5model[1] Gröbner 2003Table 2, p. 4, row 11
report
1503.15other: L = Ca5Si3 + CaSiCa5Si3: Si 0.375; CaSi: Si 0.5experimental[1] Gröbner 2003
cites Manfrinetti 2000 doi
Table 2, p. 4, row 10
report
1358.15other: L + CaSi = Ca14Si19CaSi: Si 0.5; Ca14Si19: Si 0.575758experimental[1] Gröbner 2003
cites Manfrinetti 2000 doi
Table 2, p. 4, row 12
report
1356.15other: L + CaSi = Ca14Si19CaSi: Si 0.5; Ca14Si19: Si 0.575758model[1] Gröbner 2003Table 2, p. 4, row 13
report
1306.15other: L + Ca14Si19 = CaSi2Ca14Si19: Si 0.575758; CaSi2: Si 0.666667experimental[1] Gröbner 2003
cites Schurmann 1975 doi
Table 2, p. 4, row 14
report
1303.15other: L + Ca14Si19 = CaSi2Ca14Si19: Si 0.575758; CaSi2: Si 0.666667experimental[1] Gröbner 2003
cites Manfrinetti 2000 doi
Table 2, p. 4, row 15
report
1301.15other: L + Ca14Si19 = CaSi2Ca14Si19: Si 0.575758; CaSi2: Si 0.666667model[1] Gröbner 2003Table 2, p. 4, row 16
report
1297.15other: L = CaSi2 + (Si)CaSi2: Si 0.666667; (Si): Si 1model[1] Gröbner 2003Table 2, p. 4, row 19
report
1296.15other: L = CaSi2 + (Si)CaSi2: Si 0.666667; (Si): Si 1experimental[1] Gröbner 2003
cites Schurmann 1975 doi
Table 2, p. 4, row 17
report
1293.15other: L = CaSi2 + (Si)CaSi2: Si 0.666667; (Si): Si 1experimental[1] Gröbner 2003
cites Manfrinetti 2000 doi
Table 2, p. 4, row 18
report
1210.15other: CaSi + Ca14Si19 = Ca3Si4CaSi: Si 0.5; Ca14Si19: Si 0.575758; Ca3Si4: Si 0.571429model[1] Gröbner 2003Table 2, p. 4, row 21
report
1183.15other: CaSi + Ca14Si19 = Ca3Si4CaSi: Si 0.5; Ca14Si19: Si 0.575758; Ca3Si4: Si 0.571429experimental[1] Gröbner 2003
cites Manfrinetti 2000 doi
Table 2, p. 4, row 20
report
1173.15other: Ca14Si19 = Ca3Si4 + CaSi2Ca14Si19: Si 0.575758; Ca3Si4: Si 0.571429; CaSi2: Si 0.666667experimental[1] Gröbner 2003
cites Manfrinetti 2000 doi
Table 2, p. 4, row 22
report
1153.15other: Ca14Si19 = Ca3Si4 + CaSi2Ca14Si19: Si 0.575758; Ca3Si4: Si 0.571429; CaSi2: Si 0.666667model[1] Gröbner 2003Table 2, p. 4, row 23
report
1071.15other: L = (βCa) + Ca2SiCa2Si: Si 0.333333model[1] Gröbner 2003Table 2, p. 4, row 26
report
1068.15other: L = (βCa) + Ca2SiCa2Si: Si 0.333333experimental[1] Gröbner 2003
cites Manfrinetti 2000 doi
Table 2, p. 4, row 25
report
1055.15other: L = (βCa) + Ca2SiCa2Si: Si 0.333333experimental[1] Gröbner 2003
cites Schurmann 1975 doi
Table 2, p. 4, row 24
report
716.15other: (βCa) = (αCa); Ca2SiCa2Si: Si 0.333333model[1] Gröbner 2003Table 2, p. 4, row 27
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, Ca–Si system (51)
PhaseCompoundValueT (K)ClassMP DFT (kJ/mol-atom)OQMD DFT (kJ/mol-atom)SourceLocationQuote
Ca14Si19Ca14Si19-44.4 kJ/mol-atom298.15experimental-40.575 (mp-aaaabqxx)-45.81 (oqmd-14227)[1] Gröbner 2003
cites Sudatsova 1988
Table 1, p. 2, row 10
report
Ca14Si19Ca14Si19-44.4 kJ/mol-atom298.15model-40.575 (mp-aaaabqxx)-45.81 (oqmd-14227)[1] Gröbner 2003Table 1, p. 2, row 11
report
Ca2Si-483 kJ/mol (basis unstated)298.15experimental[2] Anglezio 1994
cites ref. 62Shc
Table III, p. 12, row 1
report
Ca2Si-254.352 kJ/mol (basis unstated)298.15experimental[2] Anglezio 1994
cites ref. 67Mur
Table III, p. 12, row 3
report
Ca2SiCa2Si-254.35 kJ/mol-atom298.15experimental-41.918 (mp-aaaaadsv)-45.505 (oqmd-4796)[1] Gröbner 2003
cites Zviadadze 2003
Table 1, p. 2, row 4
report
Ca2SiCa2Si-209 kJ/mol-atom298.15experimental-41.918 (mp-aaaaadsv)-45.505 (oqmd-4796)[1] Gröbner 2003
cites Muradov 1967
Table 1, p. 2, row 6
report
Ca2SiCa2Si-209 kJ/mol-atom298.15model-41.918 (mp-aaaaadsv)-45.505 (oqmd-4796)[1] Gröbner 2003
cites Anglezio 1994 doi
Table 1, p. 2, row 9
report
Ca2Si-209 kJ/mol (basis unstated)unspecified[2] Anglezio 1994
cites ref. 82Wag
Table III, p. 12, row 5
report
Ca2Si-209 kJ/mol (basis unstated)model[2] Anglezio 1994Table III, p. 12, row 8
report
Ca2SiCa2Si-71.4 kJ/mol-atom298.15experimental-41.918 (mp-aaaaadsv)-45.505 (oqmd-4796)[1] Gröbner 2003
cites Wynnyckyj 1972
Table 1, p. 2, row 1
report
Ca2SiCa2Si-56.1 kJ/mol-atom298.15experimental-41.918 (mp-aaaaadsv)-45.505 (oqmd-4796)[1] Gröbner 2003
cites Sudatsova 1988
Table 1, p. 2, row 10
report
Ca2SiCa2Si-56.1 kJ/mol-atom298.15model-41.918 (mp-aaaaadsv)-45.505 (oqmd-4796)[1] Gröbner 2003Table 1, p. 2, row 11
report
Ca2SiCa2Si-48.3 kJ/mol-atom298.15experimental-41.918 (mp-aaaaadsv)-45.505 (oqmd-4796)[1] Gröbner 2003
cites Kubaschewski 1949
Table 1, p. 2, row 2
report
Ca2Si-23.864 kJ/mol (basis unstated)model[2] Anglezio 1994
cites ref. 86Lee
Table III, p. 12, row 7
report
Ca2SiCa2Si-23.86 kJ/mol-atom298.15model-41.918 (mp-aaaaadsv)-45.505 (oqmd-4796)[1] Gröbner 2003
cites Lee 1986
Table 1, p. 2, row 8
report
Ca3Si4Ca3Si4-46 kJ/mol-atom298.15model-41.393 (mp-aaacrbyc)[1] Gröbner 2003Table 1, p. 2, row 11
report
Ca3Si4Ca3Si4-40.6 kJ/mol-atom298.15experimental-41.393 (mp-aaacrbyc)[1] Gröbner 2003
cites Sudatsova 1988
Table 1, p. 2, row 10
report
Ca5Si3Ca5Si3-55.3 kJ/mol-atom298.15experimental-44.219 (mp-aaaaaben)-47.993 (oqmd-7693)[1] Gröbner 2003
cites Sudatsova 1988
Table 1, p. 2, row 10
report
Ca5Si3Ca5Si3-55.3 kJ/mol-atom298.15model-44.219 (mp-aaaaaben)-47.993 (oqmd-7693)[1] Gröbner 2003Table 1, p. 2, row 11
report
CaSiCaSi-210.41 kJ/mol-atom298.15model-48.529 (mp-aaaaacid)-53.093 (oqmd-52884)[1] Gröbner 2003
cites Lee 1986
Table 1, p. 2, row 8
report
CaSi-210.41 kJ/mol (basis unstated)model[2] Anglezio 1994
cites ref. 86Lee
Table III, p. 12, row 7
report
CaSiCaSi-180.16 kJ/mol-atom298.15experimental-48.529 (mp-aaaaacid)-53.093 (oqmd-52884)[1] Gröbner 2003
cites Zviadadze 2003
Table 1, p. 2, row 4
report
CaSi-180.158 kJ/mol (basis unstated)298.15experimental[2] Anglezio 1994
cites ref. 67Mur
Table III, p. 12, row 3
report
CaSiCaSi-151 kJ/mol-atom298.15experimental-48.529 (mp-aaaaacid)-53.093 (oqmd-52884)[1] Gröbner 2003
cites Muradov 1967
Table 1, p. 2, row 6
report
CaSi-151 kJ/mol (basis unstated)unspecified[2] Anglezio 1994
cites ref. 82Wag
Table III, p. 12, row 5
report
CaSiCaSi-120.64 kJ/mol-atom298.15model-48.529 (mp-aaaaacid)-53.093 (oqmd-52884)[1] Gröbner 2003
cites Anglezio 1994 doi
Table 1, p. 2, row 9
report
CaSi-120.64 kJ/mol (basis unstated)model[2] Anglezio 1994Table III, p. 12, row 8
report
CaSi-120.38 kJ/mol (basis unstated)unspecified[2] Anglezio 1994
cites ref. 82Dzh
Table III, p. 12, row 6
report
CaSiCaSi-120.38 kJ/mol-atom298.15unspecified-48.529 (mp-aaaaacid)-53.093 (oqmd-52884)[1] Gröbner 2003
cites Wagman 1982
Table 1, p. 2, row 7
report
CaSi-91.96 kJ/mol (basis unstated)298.15experimental[2] Anglezio 1994
cites ref. 71Wyn
Table III, p. 12, row 4
report
CaSiCaSi-79.1 kJ/mol-atom298.15experimental-48.529 (mp-aaaaacid)-53.093 (oqmd-52884)[1] Gröbner 2003
cites Wynnyckyj 1972
Table 1, p. 2, row 1
report
CaSiCaSi-49.6 kJ/mol-atom298.15experimental-48.529 (mp-aaaaacid)-53.093 (oqmd-52884)[1] Gröbner 2003
cites Sudatsova 1988
Table 1, p. 2, row 10
report
CaSiCaSi-48.9 kJ/mol-atom298.15model-48.529 (mp-aaaaacid)-53.093 (oqmd-52884)[1] Gröbner 2003Table 1, p. 2, row 11
report
CaSiCaSi-46 kJ/mol-atom298.15experimental-48.529 (mp-aaaaacid)-53.093 (oqmd-52884)[1] Gröbner 2003
cites Wynnyckyj 1971 doi
Table 1, p. 2, row 5
report
CaSi2CaSi2-200.34 kJ/mol-atom298.15model-32.278 (mp-aaaaadzv)-37.589 (oqmd-6152)[1] Gröbner 2003
cites Lee 1986
Table 1, p. 2, row 8
report
CaSi2-200.34 kJ/mol (basis unstated)model[2] Anglezio 1994
cites ref. 86Lee
Table III, p. 12, row 7
report
CaSi2-191.235 kJ/mol (basis unstated)298.15experimental[2] Anglezio 1994
cites ref. 67Mur
Table III, p. 12, row 3
report
CaSi2CaSi2-191.23 kJ/mol-atom298.15experimental-32.278 (mp-aaaaadzv)-37.589 (oqmd-6152)[1] Gröbner 2003
cites Zviadadze 2003
Table 1, p. 2, row 4
report
CaSi2-153.42 kJ/mol (basis unstated)298.15experimental[2] Anglezio 1994
cites ref. 66Zvi
Table III, p. 12, row 2
report
CaSi2CaSi2-153.42 kJ/mol-atom298.15experimental-32.278 (mp-aaaaadzv)-37.589 (oqmd-6152)[1] Gröbner 2003
cites Shchukarev 1962
Table 1, p. 2, row 3
report
CaSi2CaSi2-151 kJ/mol-atom298.15experimental-32.278 (mp-aaaaadzv)-37.589 (oqmd-6152)[1] Gröbner 2003
cites Muradov 1967
Table 1, p. 2, row 6
report
CaSi2-151 kJ/mol (basis unstated)unspecified[2] Anglezio 1994
cites ref. 82Wag
Table III, p. 12, row 5
report
CaSi2CaSi2-150.4 kJ/mol-atom298.15model-32.278 (mp-aaaaadzv)-37.589 (oqmd-6152)[1] Gröbner 2003
cites Anglezio 1994 doi
Table 1, p. 2, row 9
report
CaSi2-150.4 kJ/mol (basis unstated)unspecified[2] Anglezio 1994
cites ref. 82Dzh
Table III, p. 12, row 6
report
CaSi2CaSi2-150.4 kJ/mol-atom298.15unspecified-32.278 (mp-aaaaadzv)-37.589 (oqmd-6152)[1] Gröbner 2003
cites Wagman 1982
Table 1, p. 2, row 7
report
CaSi2-150.4 kJ/mol (basis unstated)model[2] Anglezio 1994Table III, p. 12, row 8
report
CaSi2-109.998 kJ/mol (basis unstated)298.15experimental[2] Anglezio 1994
cites ref. 71Wyn
Table III, p. 12, row 4
report
CaSi2CaSi2-52.7 kJ/mol-atom298.15experimental-32.278 (mp-aaaaadzv)-37.589 (oqmd-6152)[1] Gröbner 2003
cites Wynnyckyj 1972
Table 1, p. 2, row 1
report
CaSi2CaSi2-37.8 kJ/mol-atom298.15experimental-32.278 (mp-aaaaadzv)-37.589 (oqmd-6152)[1] Gröbner 2003
cites Sudatsova 1988
Table 1, p. 2, row 10
report
CaSi2CaSi2-37.8 kJ/mol-atom298.15model-32.278 (mp-aaaaadzv)-37.589 (oqmd-6152)[1] Gröbner 2003Table 1, p. 2, row 11
report
CaSi2CaSi2-36.7 kJ/mol-atom298.15experimental-32.278 (mp-aaaaadzv)-37.589 (oqmd-6152)[1] Gröbner 2003
cites Wynnyckyj 1971 doi
Table 1, p. 2, row 5
report

Other properties

Phase transition (6)

Phase transition, Ca–Si system
PropertyValueT (K)Phases / compositionClassSourceLocationQuote
Phase transition1530.15 K1530.15congruent melting: L = Ca2Si
L: Si 0.333333; Ca2Si: Si 0.333333
model[1] Gröbner 2003Table 2, p. 4, row 6
report
Phase transition1543.15 K1543.15congruent melting: L = Ca2Si
L: Si 0.333333; Ca2Si: Si 0.333333
experimental[1] Gröbner 2003
cites Manfrinetti 2000 doi
Table 2, p. 4, row 5
report
Phase transition1553.15 K1553.15congruent melting: L = CaSi
L: Si 0.5; CaSi: Si 0.5
model[1] Gröbner 2003Table 2, p. 4, row 3
report
Phase transition1578.15 K1578.15congruent melting: L = Ca2Si
L: Si 0.333333; Ca2Si: Si 0.333333
experimental[1] Gröbner 2003
cites Schurmann 1975 doi
Table 2, p. 4, row 4
report
Phase transition1588.15 K1588.15congruent melting: L = CaSi
L: Si 0.5; CaSi: Si 0.5
experimental[1] Gröbner 2003
cites Schurmann 1975 doi
Table 2, p. 4, row 1
report
Phase transition1593.15 K1593.15congruent melting: L = CaSi
L: Si 0.5; CaSi: Si 0.5
experimental[1] Gröbner 2003
cites Manfrinetti 2000 doi
Table 2, p. 4, row 2
report

Sources

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

  1. Joachim Gröbner, Igor Chumak, Rainer Schmid-Fetzer, Experimental study of ternary Ca–Mg–Si phase equilibria and thermodynamic assessment of Ca–Si and Ca–Mg–Si systems, Intermetallics 11, 1065-1074 (2003). doi:10.1016/j.intermet.2003.07.001
  2. J.C. Anglezio, C. Servant, I. Ansara, Contribution to the experimental and thermodynamic assessment of the AlCaFeSi system—I. AlCaFe, AlCaSi, AlFeSi and CaFeSi systems, Calphad 18, 273-309 (1994). doi:10.1016/0364-5916(94)90034-5