Ca–Si phases

11 phases (tier A 8, tier C 2, liquid 1); 10 stable in a calculated diagram. Structure types are assigned only when the stored evidence supports an assignment under the stated tier rules (tier A: standard phase name; tier B: unique Materials Project + OQMD on-hull match, DFT-supported; tier C: one structure stated by the assessment's crystallographic table, assessor-stated); other phases list candidates and are marked needs_review. Stability is from phase diagrams calculated with pycalphad from the SGTE binary collection (evidence class: model).

Data: interactive registry · full JSON · Ca–Si system page · Markdown · field reference

Phases of the Ca–Si system (11)
PhaseStructureBasisStability (calculated)Literature valuesTDB models
DIAMOND_A4
phase:ca-si:a4-diamond
C (diamond) · A4 · cF8 · Fd-3m (227)tier A: standard phase namestable in 2 of 2 calculated diagram(s): 300–2498.95 K, x(Si) 1–132
BCC_A2
phase:ca-si:bcc-a2
W · A2 · cI2 · Im-3m (229)tier A: standard phase namestable in 2 of 2 calculated diagram(s): 716.03–1115 K, x(Si) 0–042
CA14SI19
phase:ca-si:ca14si19
Ca14Si19 · hR66 · R-3c (167)tier C: assessor-stated (Hallstedt 2025 crystallographic table)stable in 1 of 1 calculated diagram(s): 1149.13–1356.72 K, x(Si) 0.57576–0.57576111
CA2SI_C37
phase:ca-si:ca2si-c37
Co2Si · C37 · oP12 · Pnma (62)tier A: standard phase namestable in 2 of 2 calculated diagram(s): 300–1576.82 K, x(Si) 0.33333–0.33333182
CA3SI4
phase:ca-si:ca3si4
Ca3Si4 · hP42 · P6_3/m (176)tier C: assessor-stated (Hallstedt 2025 crystallographic table)stable in 1 of 1 calculated diagram(s): 300–1206.52 K, x(Si) 0.57143–0.5714361
CA5SI3_D8L
phase:ca-si:ca5si3-d8l
Cr5B3 · D8_l · tI32 · I4/mcm (140)tier A: standard phase namestable in 1 of 1 calculated diagram(s): 300–1509.27 K, x(Si) 0.375–0.37571
CASI_B33
phase:ca-si:casi-b33
CrB · B33 · oC8 · Cmcm (63)tier A: standard phase namestable in 2 of 2 calculated diagram(s): 300–1588.91 K, x(Si) 0.5–0.5182
CASI2_C12
phase:ca-si:casi2-c12
CaSi2 · C12 · hR6 · R-3m (166)tier A: standard phase namestable in 2 of 2 calculated diagram(s): 300–1303.36 K, x(Si) 0.66667–0.66667182
FCC_A1
phase:ca-si:fcc-a1
Cu · A1 · cF4 · Fm-3m (225)tier A: standard phase namestable in 2 of 2 calculated diagram(s): 300–716.03 K, x(Si) 0–012
HCP_A3
phase:ca-si:hcp-a3
Mg · A3 · hP2 · P6_3/mmc (194)tier A: standard phase namenot stable in 2 calculated diagram(s)02
LIQUID
phase:ca-si:liquid
liquidliquidstable in 2 of 2 calculated diagram(s): 1048.93–2500 K, x(Si) 0–1222

DIAMOND_A4 (Ca–Si)

Names (5): corpus: corpus:phase:ca-si:a4-diamond, corpus:phase:ca-si:diamond-a4
paper: paper:10.1016/j.intermet.2003.07.001:(Si)
tdb: tdb:CaSi-03Gro.tdb:DIAMOND_A4, tdb:CaSi-94Ang-LB.tdb:DIAMOND_A4

TDB models of DIAMOND_A4 (2): PHASE and CONSTITUENT statements as written

CaSi-03Gro.tdb: DIAMOND_A4, type code %, sha256 ee18ca4a4c4fd9e2…

43: PHASE DIAMOND_A4 % 1 1 !
44: CONST DIAMOND_A4 : SI : !

CaSi-94Ang-LB.tdb: DIAMOND_A4, type code %, sha256 1769fd4ca474bf20…

48: PHASE DIAMOND_A4 % 1 1 !
49: CONST DIAMOND_A4 : SI : !

Example references (4 of 4; assessments first):

BCC_A2 (Ca–Si)

Names (4): corpus: corpus:phase:ca-si:bcc-a2
paper: paper:10.1016/j.intermet.2003.07.001:(βCa)
tdb: tdb:CaSi-03Gro.tdb:BCC_A2, tdb:CaSi-94Ang-LB.tdb:BCC_A2

TDB models of BCC_A2 (2): PHASE and CONSTITUENT statements as written

CaSi-03Gro.tdb: BCC_A2, type code %B, sha256 ee18ca4a4c4fd9e2…

33: PHASE BCC_A2 %B 2 1 3 !
34: CONST BCC_A2 : CA% SI : VA : !

CaSi-94Ang-LB.tdb: BCC_A2, type code %B, sha256 1769fd4ca474bf20…

38: PHASE BCC_A2 %B 2 1 3 !
39: CONST BCC_A2 : CA% SI : VA : !

Example references (4 of 4; assessments first):

CA14SI19 (Ca–Si)

Names (3): corpus: corpus:phase:ca-si:ca14si19
paper: paper:10.1016/j.intermet.2003.07.001:Ca14Si19
tdb: tdb:CaSi-03Gro.tdb:CA14SI19

TDB models of CA14SI19 (1): PHASE and CONSTITUENT statements as written

CaSi-03Gro.tdb: CA14SI19, type code %, sha256 ee18ca4a4c4fd9e2…

68: PHASE CA14SI19 % 2 14 19 !
69: CONST CA14SI19 : CA : SI : !

Example references (3 of 3; assessments first):

CA2SI_C37 (Ca–Si)

Names (6): corpus: corpus:phase:ca-si:ca2si-c37
mp: mp:mp-aaaaadsv
oqmd: oqmd:oqmd-4796
paper: paper:10.1016/j.intermet.2003.07.001:Ca2Si
tdb: tdb:CaSi-03Gro.tdb:CA2SI_C37, tdb:CaSi-94Ang-LB.tdb:CA2SI_C37

TDB models of CA2SI_C37 (2): PHASE and CONSTITUENT statements as written

CaSi-03Gro.tdb: CA2SI_C37, type code %, sha256 ee18ca4a4c4fd9e2…

48: PHASE CA2SI_C37 % 2 2 1 !
49: CONST CA2SI_C37 : CA : SI : !

CaSi-94Ang-LB.tdb: CA2SI_C37, type code %, sha256 1769fd4ca474bf20…

53: PHASE CA2SI_C37 % 2 2 1 !
54: CONST CA2SI_C37 : CA : SI : !

Example references (4 of 4; assessments first):

CA3SI4 (Ca–Si)

Names (3): corpus: corpus:phase:ca-si:ca3si4
paper: paper:10.1016/j.intermet.2003.07.001:Ca3Si4
tdb: tdb:CaSi-03Gro.tdb:CA3SI4

TDB models of CA3SI4 (1): PHASE and CONSTITUENT statements as written

CaSi-03Gro.tdb: CA3SI4, type code %, sha256 ee18ca4a4c4fd9e2…

63: PHASE CA3SI4 % 2 3 4 !
64: CONST CA3SI4 : CA : SI : !

Example references (2 of 2; assessments first):

CA5SI3_D8L (Ca–Si)

Names (5): corpus: corpus:phase:ca-si:ca5si3-d8l
mp: mp:mp-aaaaaben
oqmd: oqmd:oqmd-7693
paper: paper:10.1016/j.intermet.2003.07.001:Ca5Si3
tdb: tdb:CaSi-03Gro.tdb:CA5SI3_D8L

TDB models of CA5SI3_D8L (1): PHASE and CONSTITUENT statements as written

CaSi-03Gro.tdb: CA5SI3_D8L, type code %, sha256 ee18ca4a4c4fd9e2…

53: PHASE CA5SI3_D8L % 2 5 3 !
54: CONST CA5SI3_D8L : CA : SI : !

Example references (3 of 3; assessments first):

CASI_B33 (Ca–Si)

Names (6): corpus: corpus:phase:ca-si:casi-b33
mp: mp:mp-aaaaacid
oqmd: oqmd:oqmd-52884
paper: paper:10.1016/j.intermet.2003.07.001:CaSi
tdb: tdb:CaSi-03Gro.tdb:CASI_B33, tdb:CaSi-94Ang-LB.tdb:CASI_B33

TDB models of CASI_B33 (2): PHASE and CONSTITUENT statements as written

CaSi-03Gro.tdb: CASI_B33, type code %, sha256 ee18ca4a4c4fd9e2…

58: PHASE CASI_B33 % 2 1 1 !
59: CONST CASI_B33 : CA : SI : !

CaSi-94Ang-LB.tdb: CASI_B33, type code %, sha256 1769fd4ca474bf20…

58: PHASE CASI_B33 % 2 1 1 !
59: CONST CASI_B33 : CA : SI : !

Example references (5 of 5; assessments first):

CASI2_C12 (Ca–Si)

Names (4): corpus: corpus:phase:ca-si:casi2-c12
paper: paper:10.1016/j.intermet.2003.07.001:CaSi2
tdb: tdb:CaSi-03Gro.tdb:CASI2_C12, tdb:CaSi-94Ang-LB.tdb:CASI2_C12

TDB models of CASI2_C12 (2): PHASE and CONSTITUENT statements as written

CaSi-03Gro.tdb: CASI2_C12, type code %, sha256 ee18ca4a4c4fd9e2…

73: PHASE CASI2_C12 % 2 1 2 !
74: CONST CASI2_C12 : CA : SI : !

CaSi-94Ang-LB.tdb: CASI2_C12, type code %, sha256 1769fd4ca474bf20…

63: PHASE CASI2_C12 % 2 1 2 !
64: CONST CASI2_C12 : CA : SI : !

Example references (5 of 5; assessments first):

FCC_A1 (Ca–Si)

Names (4): corpus: corpus:phase:ca-si:fcc-a1
paper: paper:10.1016/j.intermet.2003.07.001:(αCa)
tdb: tdb:CaSi-03Gro.tdb:FCC_A1, tdb:CaSi-94Ang-LB.tdb:FCC_A1

TDB models of FCC_A1 (2): PHASE and CONSTITUENT statements as written

CaSi-03Gro.tdb: FCC_A1, type code %A, sha256 ee18ca4a4c4fd9e2…

28: PHASE FCC_A1 %A 2 1 1 !
29: CONST FCC_A1 : CA% SI : VA : !

CaSi-94Ang-LB.tdb: FCC_A1, type code %A, sha256 1769fd4ca474bf20…

33: PHASE FCC_A1 %A 2 1 1 !
34: CONST FCC_A1 : CA% SI : VA : !

Example references (2 of 2; assessments first):

HCP_A3 (Ca–Si)

Names (3): corpus: corpus:phase:ca-si:hcp-a3
tdb: tdb:CaSi-03Gro.tdb:HCP_A3, tdb:CaSi-94Ang-LB.tdb:HCP_A3

TDB models of HCP_A3 (2): PHASE and CONSTITUENT statements as written

CaSi-03Gro.tdb: HCP_A3, type code %A, sha256 ee18ca4a4c4fd9e2…

38: PHASE HCP_A3 %A 2 1 0.5 !
39: CONST HCP_A3 : CA SI : VA : !

CaSi-94Ang-LB.tdb: HCP_A3, type code %A, sha256 1769fd4ca474bf20…

43: PHASE HCP_A3 %A 2 1 0.5 !
44: CONST HCP_A3 : CA SI : VA : !

Example references (2 of 2; assessments first):

LIQUID (Ca–Si)

Names (4): corpus: corpus:phase:ca-si:liquid
paper: paper:10.1016/j.intermet.2003.07.001:L
tdb: tdb:CaSi-03Gro.tdb:LIQUID, tdb:CaSi-94Ang-LB.tdb:LIQUID

TDB models of LIQUID (2): PHASE and CONSTITUENT statements as written

CaSi-03Gro.tdb: LIQUID, type code %, sha256 ee18ca4a4c4fd9e2…

23: PHASE LIQUID:L % 1 1 !
24: CONST LIQUID:L : CA SI : !

CaSi-94Ang-LB.tdb: LIQUID, type code %, sha256 1769fd4ca474bf20…

28: PHASE LIQUID:L % 1 1 !
29: CONST LIQUID:L : CA SI : !

Example references (4 of 4; assessments first):