Ca–In phases
10 phases (tier A 5, tier C 4, liquid 1); 9 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–In system page · Markdown · field reference
| Phase | Structure | Basis | Stability (calculated) | Literature values | TDB models |
|---|---|---|---|---|---|
| TETRAGONAL_A6 phase:ca-in:a6-tetragonal | In · A6 · tI2 · I4/mmm (139) | tier A: standard phase name | stable in 2 of 2 calculated diagram(s): 300–429.75 K, x(In) 1–1 | 2 | 2 |
| BCC_A2 phase:ca-in:bcc-a2 | W · A2 · cI2 · Im-3m (229) | tier A: standard phase name | stable in 2 of 2 calculated diagram(s): 716.03–1155 K, x(In) 0–0 | 1 | 3 |
| B2_BCC phase:ca-in:bcc-b2 | CsCl · B2 · cP2 · Pm-3m (221) | tier A: standard phase name | stable in 1 of 1 calculated diagram(s): 300–1164.08 K, x(In) 0–0.5 | 0 | 1 |
| CA3IN phase:ca-in:ca3in | Ca8In3 · aP22 · P-1 (2) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 1 of 1 calculated diagram(s): 300–1037.11 K, x(In) 0.25–0.25 | 4 | 1 |
| CA8IN3 phase:ca-in:ca8in3 | Ca8In3 · aP22 · P-1 (2) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 1 of 1 calculated diagram(s): 300–1034.43 K, x(In) 0.27273–0.27273 | 14 | 1 |
| CAIN phase:ca-in:cain | GaPu · tI16 · I4/mmm (139) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 1 of 1 calculated diagram(s): 300–1167.58 K, x(In) 0.5–0.5 | 10 | 1 |
| CAIN2 phase:ca-in:cain2 | CaIn2 · hP6 · P6_3/mmc (194) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 2 of 2 calculated diagram(s): 300–1110.32 K, x(In) 0.66667–0.66667 | 12 | 2 |
| FCC_A1 phase:ca-in:fcc-a1 | Cu · A1 · cF4 · Fm-3m (225) | tier A: standard phase name | stable in 2 of 2 calculated diagram(s): 300–716.03 K, x(In) 0–0 | 0 | 2 |
| HCP_A3 phase:ca-in:hcp-a3 | Mg · A3 · hP2 · P6_3/mmc (194) | tier A: standard phase name | not stable in 2 calculated diagram(s) | 0 | 2 |
| LIQUID phase:ca-in:liquid | liquid | liquid | stable in 2 of 2 calculated diagram(s): 425.43–2500 K, x(In) 0–1 | 12 | 2 |
TETRAGONAL_A6 (Ca–In)
- Id:
phase:ca-in:a6-tetragonal; statusassigned - Structure: In · A6 · tI2 · I4/mmm (139); type
st:a6-in-ti2; tier A: standard phase name; confidence high - Stoichiometry: In 1.0000
- Stability: stable in 2 of 2 calculated diagram(s): 300–429.75 K, x(In) 1–1
- Literature: 2 values (2 accepted) from 1 papers
- Interactive: phase registry entry
Names (5): corpus: corpus:phase:ca-in:a6-tetragonal, corpus:phase:ca-in:tetragonal-a6
paper: paper:10.1007/s11669-013-0258-6:(In)
tdb: tdb:CaIn-13Wan.tdb:TETRAGONAL_A6, tdb:CaIn-15Qin.tdb:TETRAGONAL_A6
TDB models of TETRAGONAL_A6 (2): PHASE and CONSTITUENT statements as written
CaIn-13Wan.tdb: TETRAGONAL_A6, type code %, sha256 79293c7821a91f29…
40: PHASE TETRAGONAL_A6 % 1 1 ! 41: CONST TETRAGONAL_A6 : IN : !
CaIn-15Qin.tdb: TETRAGONAL_A6, type code %, sha256 09448428a82f51e5…
55: PHASE TETRAGONAL_A6 % 1 1 ! 56: CONST TETRAGONAL_A6 : IN : !
Example references (3 of 3; assessments first):
- doi:10.1007/s11669-013-0258-6 Lei Wang, Yajun Liu, Jing Liu, Thermodynamic Basis and Related Phase Equilibria for In-Na and In-Ca Binary Systems, J. Phase Equilib. Diffus. 34, 447-452 (2013).
assessment that models this phase; reports values for this phase - doi:10.1016/j.calphad.2014.10.008 Song Qin, Shuhong Liu, Cong Zhang, Jinghua Xin, Yao Wang, Yong Du, Thermodynamic modeling of the Ca–In and Ca–Sb systems supported with first-principles calculations, Calphad 48, 35-42 (2015).
assessment that models this phase - doi:10.1016/0022-5088(64)90081-5 G. Bruzzone, A.F. Ruggiero, The equilibrium diagram of the calcium-indium system, Journal of the Less Common Metals 7, 368-372 (1964).
cited as the source of values for this phase
BCC_A2 (Ca–In)
- Id:
phase:ca-in:bcc-a2; statusassigned - Structure: W · A2 · cI2 · Im-3m (229); type
st:a2-w-ci2; tier A: standard phase name; confidence high - Stability: stable in 2 of 2 calculated diagram(s): 716.03–1155 K, x(In) 0–0
- Literature: 1 values (1 accepted) from 1 papers
- Interactive: phase registry entry
Names (5): corpus: corpus:phase:ca-in:bcc-a2
paper: paper:10.1007/s11669-013-0258-6:(βCa)
tdb: tdb:CaIn-13Wan.tdb:BCC_A2, tdb:CaIn-15Qin.tdb:A2_BCC, tdb:CaIn-15Qin.tdb:BCC_A2
TDB models of BCC_A2 (3): PHASE and CONSTITUENT statements as written
CaIn-13Wan.tdb: BCC_A2, type code %B, sha256 79293c7821a91f29…
30: PHASE BCC_A2 %B 2 1 3 ! 31: CONST BCC_A2 : CA% IN : VA : !
CaIn-15Qin.tdb: A2_BCC, type code %B, sha256 09448428a82f51e5…
40: PHASE A2_BCC %B 2 1 3 ! 41: CONST A2_BCC : CA% IN : VA : !
CaIn-15Qin.tdb: BCC_A2, type code %B, sha256 09448428a82f51e5…
35: PHASE BCC_A2 %B 2 1 3 ! 36: CONST BCC_A2 : CA% IN : VA : !
Example references (2 of 2; assessments first):
- doi:10.1007/s11669-013-0258-6 Lei Wang, Yajun Liu, Jing Liu, Thermodynamic Basis and Related Phase Equilibria for In-Na and In-Ca Binary Systems, J. Phase Equilib. Diffus. 34, 447-452 (2013).
assessment that models this phase; reports values for this phase - doi:10.1016/j.calphad.2014.10.008 Song Qin, Shuhong Liu, Cong Zhang, Jinghua Xin, Yao Wang, Yong Du, Thermodynamic modeling of the Ca–In and Ca–Sb systems supported with first-principles calculations, Calphad 48, 35-42 (2015).
assessment that models this phase
B2_BCC (Ca–In)
- Id:
phase:ca-in:bcc-b2; statusassigned - Structure: CsCl · B2 · cP2 · Pm-3m (221); type
st:b2-cscl-cp2; tier A: standard phase name; confidence high - Caveat: CaIn-15Qin.tdb: ordered phase with disordered part A2_BCC (order/disorder model)
- Caveat: partitioned order/disorder model in CaIn-15Qin.tdb also describes the disordered state
- Stability: stable in 1 of 1 calculated diagram(s): 300–1164.08 K, x(In) 0–0.5
- Literature: 0 values (0 accepted) from 0 papers
- Interactive: phase registry entry
Names (2): corpus: corpus:phase:ca-in:bcc-b2
tdb: tdb:CaIn-15Qin.tdb:B2_BCC
TDB models of B2_BCC (1): PHASE and CONSTITUENT statements as written
CaIn-15Qin.tdb: B2_BCC, type code %BO, sha256 09448428a82f51e5…
45: PHASE B2_BCC %BO 3 0.5 0.5 3 ! 46: CONST B2_BCC : CA% IN : CA IN% : VA : !
Example references (1 of 1; assessments first):
- doi:10.1016/j.calphad.2014.10.008 Song Qin, Shuhong Liu, Cong Zhang, Jinghua Xin, Yao Wang, Yong Du, Thermodynamic modeling of the Ca–In and Ca–Sb systems supported with first-principles calculations, Calphad 48, 35-42 (2015).
assessment that models this phase
CA3IN (Ca–In)
- Id:
phase:ca-in:ca3in; statusassigned - Structure: Ca8In3 · aP22 · P-1 (2); type
st:ca8in3-ap22; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated - Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) doi:10.1016/j.calphad.2025.102833
- Caveat: not certain from the name or DFT alone (no_on_hull_entry_in_both, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
- Stoichiometry: Ca 0.7500, In 0.2500
- Stability: stable in 1 of 1 calculated diagram(s): 300–1037.11 K, x(In) 0.25–0.25
- Literature: 4 values (4 accepted) from 1 papers
- Interactive: phase registry entry
Names (3): corpus: corpus:phase:ca-in:ca3in
paper: paper:10.1007/s11669-013-0258-6:Ca3In
tdb: tdb:CaIn-13Wan.tdb:CA3IN
TDB models of CA3IN (1): PHASE and CONSTITUENT statements as written
CaIn-13Wan.tdb: CA3IN, type code %, sha256 79293c7821a91f29…
45: PHASE CA3IN % 2 3 1 ! 46: CONST CA3IN : CA : IN : !
Example references (2 of 2; assessments first):
- doi:10.1007/s11669-013-0258-6 Lei Wang, Yajun Liu, Jing Liu, Thermodynamic Basis and Related Phase Equilibria for In-Na and In-Ca Binary Systems, J. Phase Equilib. Diffus. 34, 447-452 (2013).
assessment that models this phase; reports values for this phase - doi:10.1016/0022-5088(64)90081-5 G. Bruzzone, A.F. Ruggiero, The equilibrium diagram of the calcium-indium system, Journal of the Less Common Metals 7, 368-372 (1964).
cited as the source of values for this phase
CA8IN3 (Ca–In)
- Id:
phase:ca-in:ca8in3; statusassigned - Structure: Ca8In3 · aP22 · P-1 (2); type
st:ca8in3-ap22; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated - Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) doi:10.1016/j.calphad.2025.102833
- Caveat: not certain from the name or DFT alone (dft_space_group_2_matches_2_structure_types, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
- Stoichiometry: Ca 0.7273, In 0.2727
- Stability: stable in 1 of 1 calculated diagram(s): 300–1034.43 K, x(In) 0.27273–0.27273
- Literature: 14 values (14 accepted) from 1 papers
- Interactive: phase registry entry
Names (3): corpus: corpus:phase:ca-in:ca8in3
paper: paper:10.1016/j.calphad.2014.10.008:Ca8In3
tdb: tdb:CaIn-15Qin.tdb:CA8IN3
TDB models of CA8IN3 (1): PHASE and CONSTITUENT statements as written
CaIn-15Qin.tdb: CA8IN3, type code %, sha256 09448428a82f51e5…
60: PHASE CA8IN3 % 2 8 3 ! 61: CONST CA8IN3 : CA : IN : !
Example references (2 of 2; assessments first):
- doi:10.1016/j.calphad.2014.10.008 Song Qin, Shuhong Liu, Cong Zhang, Jinghua Xin, Yao Wang, Yong Du, Thermodynamic modeling of the Ca–In and Ca–Sb systems supported with first-principles calculations, Calphad 48, 35-42 (2015).
assessment that models this phase; reports values for this phase - doi:10.1107/s0108270187010904 R. E. Marsh, K. M. Slagle, On the structure of Ca8In3, Acta Crystallogr C Cryst Struct Commun 44, 395-396 (1988).
cited as the source of values for this phase
CAIN (Ca–In)
- Id:
phase:ca-in:cain; statusassigned - Structure: GaPu · tI16 · I4/mmm (139); type
st:gapu-ti16-2; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated - Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) doi:10.1016/j.calphad.2025.102833
- Caveat: not certain from the name or DFT alone (mp_oqmd_space_groups_differ, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
- Stoichiometry: Ca 0.5000, In 0.5000
- Stability: stable in 1 of 1 calculated diagram(s): 300–1167.58 K, x(In) 0.5–0.5
- Literature: 10 values (10 accepted) from 2 papers
- Interactive: phase registry entry
Names (4): corpus: corpus:phase:ca-in:cain
paper: paper:10.1007/s11669-013-0258-6:CaIn, paper:10.1016/j.calphad.2014.10.008:CaIn
tdb: tdb:CaIn-13Wan.tdb:CAIN
TDB models of CAIN (1): PHASE and CONSTITUENT statements as written
CaIn-13Wan.tdb: CAIN, type code %, sha256 79293c7821a91f29…
50: PHASE CAIN % 2 1 1 ! 51: CONST CAIN : CA : IN : !
Example references (3 of 3; assessments first):
- doi:10.1007/s11669-013-0258-6 Lei Wang, Yajun Liu, Jing Liu, Thermodynamic Basis and Related Phase Equilibria for In-Na and In-Ca Binary Systems, J. Phase Equilib. Diffus. 34, 447-452 (2013).
assessment that models this phase; reports values for this phase - doi:10.1016/0022-5088(64)90081-5 G. Bruzzone, A.F. Ruggiero, The equilibrium diagram of the calcium-indium system, Journal of the Less Common Metals 7, 368-372 (1964).
cited as the source of values for this phase - doi:10.1016/j.calphad.2014.10.008 Song Qin, Shuhong Liu, Cong Zhang, Jinghua Xin, Yao Wang, Yong Du, Thermodynamic modeling of the Ca–In and Ca–Sb systems supported with first-principles calculations, Calphad 48, 35-42 (2015).
reports values for this phase
CAIN2 (Ca–In)
- Id:
phase:ca-in:cain2; statusassigned - Structure: CaIn2 · hP6 · P6_3/mmc (194); type
st:cain2-hp6; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated - Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) doi:10.1016/j.calphad.2025.102833
- Caveat: not certain from the name or DFT alone (dft_space_group_194_matches_3_structure_types, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
- Stoichiometry: Ca 0.3333, In 0.6667
- Stability: stable in 2 of 2 calculated diagram(s): 300–1110.32 K, x(In) 0.66667–0.66667
- Literature: 12 values (12 accepted) from 2 papers
- Interactive: phase registry entry
Names (5): corpus: corpus:phase:ca-in:cain2
paper: paper:10.1007/s11669-013-0258-6:CaIn2, paper:10.1016/j.calphad.2014.10.008:CaIn2
tdb: tdb:CaIn-13Wan.tdb:CAIN2, tdb:CaIn-15Qin.tdb:CAIN2
TDB models of CAIN2 (2): PHASE and CONSTITUENT statements as written
CaIn-13Wan.tdb: CAIN2, type code %, sha256 79293c7821a91f29…
55: PHASE CAIN2 % 2 1 2 ! 56: CONST CAIN2 : CA : IN : !
CaIn-15Qin.tdb: CAIN2, type code %, sha256 09448428a82f51e5…
65: PHASE CAIN2 % 2 1 2 ! 66: CONST CAIN2 : CA : IN : !
Example references (4 of 4; assessments first):
- doi:10.1007/s11669-013-0258-6 Lei Wang, Yajun Liu, Jing Liu, Thermodynamic Basis and Related Phase Equilibria for In-Na and In-Ca Binary Systems, J. Phase Equilib. Diffus. 34, 447-452 (2013).
assessment that models this phase; reports values for this phase - doi:10.1016/j.calphad.2014.10.008 Song Qin, Shuhong Liu, Cong Zhang, Jinghua Xin, Yao Wang, Yong Du, Thermodynamic modeling of the Ca–In and Ca–Sb systems supported with first-principles calculations, Calphad 48, 35-42 (2015).
assessment that models this phase; reports values for this phase - doi:10.1016/0022-5088(64)90081-5 G. Bruzzone, A.F. Ruggiero, The equilibrium diagram of the calcium-indium system, Journal of the Less Common Metals 7, 368-372 (1964).
cited as the source of values for this phase - doi:10.1002/zaac.19643300315 A. Iandelli, MX<sub>2</sub>‐Verbindungen der Erdalkali‐ und Seltenen Erdmetalle mit Gallium, Indium und Thallium, Zeitschrift anorg allge chemie 330, 221-232 (1964).
cited as the source of values for this phase
FCC_A1 (Ca–In)
- Id:
phase:ca-in:fcc-a1; statusassigned - Structure: Cu · A1 · cF4 · Fm-3m (225); type
st:a1-cu-cf4; tier A: standard phase name; confidence high - Stability: stable in 2 of 2 calculated diagram(s): 300–716.03 K, x(In) 0–0
- Literature: 0 values (0 accepted) from 0 papers
- Interactive: phase registry entry
Names (3): corpus: corpus:phase:ca-in:fcc-a1
tdb: tdb:CaIn-13Wan.tdb:FCC_A1, tdb:CaIn-15Qin.tdb:FCC_A1
TDB models of FCC_A1 (2): PHASE and CONSTITUENT statements as written
CaIn-13Wan.tdb: FCC_A1, type code %A, sha256 79293c7821a91f29…
25: PHASE FCC_A1 %A 2 1 1 ! 26: CONST FCC_A1 : CA% IN : VA : !
CaIn-15Qin.tdb: FCC_A1, type code %A, sha256 09448428a82f51e5…
30: PHASE FCC_A1 %A 2 1 1 ! 31: CONST FCC_A1 : CA% IN : VA : !
Example references (2 of 2; assessments first):
- doi:10.1007/s11669-013-0258-6 Lei Wang, Yajun Liu, Jing Liu, Thermodynamic Basis and Related Phase Equilibria for In-Na and In-Ca Binary Systems, J. Phase Equilib. Diffus. 34, 447-452 (2013).
assessment that models this phase - doi:10.1016/j.calphad.2014.10.008 Song Qin, Shuhong Liu, Cong Zhang, Jinghua Xin, Yao Wang, Yong Du, Thermodynamic modeling of the Ca–In and Ca–Sb systems supported with first-principles calculations, Calphad 48, 35-42 (2015).
assessment that models this phase
HCP_A3 (Ca–In)
- Id:
phase:ca-in:hcp-a3; statusassigned - Structure: Mg · A3 · hP2 · P6_3/mmc (194); type
st:a3-mg-hp2; tier A: standard phase name; confidence high - Stability: not stable in 2 calculated diagram(s)
- Literature: 0 values (0 accepted) from 0 papers
- Interactive: phase registry entry
Names (3): corpus: corpus:phase:ca-in:hcp-a3
tdb: tdb:CaIn-13Wan.tdb:HCP_A3, tdb:CaIn-15Qin.tdb:HCP_A3
TDB models of HCP_A3 (2): PHASE and CONSTITUENT statements as written
CaIn-13Wan.tdb: HCP_A3, type code %A, sha256 79293c7821a91f29…
35: PHASE HCP_A3 %A 2 1 0.5 ! 36: CONST HCP_A3 : CA IN : VA : !
CaIn-15Qin.tdb: HCP_A3, type code %A, sha256 09448428a82f51e5…
50: PHASE HCP_A3 %A 2 1 0.5 ! 51: CONST HCP_A3 : CA IN : VA : !
Example references (2 of 2; assessments first):
- doi:10.1007/s11669-013-0258-6 Lei Wang, Yajun Liu, Jing Liu, Thermodynamic Basis and Related Phase Equilibria for In-Na and In-Ca Binary Systems, J. Phase Equilib. Diffus. 34, 447-452 (2013).
assessment that models this phase - doi:10.1016/j.calphad.2014.10.008 Song Qin, Shuhong Liu, Cong Zhang, Jinghua Xin, Yao Wang, Yong Du, Thermodynamic modeling of the Ca–In and Ca–Sb systems supported with first-principles calculations, Calphad 48, 35-42 (2015).
assessment that models this phase
LIQUID (Ca–In)
- Id:
phase:ca-in:liquid; statusassigned - Structure: liquid; type
st:liquid; liquid; confidence high - Stability: stable in 2 of 2 calculated diagram(s): 425.43–2500 K, x(In) 0–1
- Literature: 12 values (12 accepted) from 1 papers
- Interactive: phase registry entry
Names (4): corpus: corpus:phase:ca-in:liquid
paper: paper:10.1007/s11669-013-0258-6:L
tdb: tdb:CaIn-13Wan.tdb:LIQUID, tdb:CaIn-15Qin.tdb:LIQUID
TDB models of LIQUID (2): PHASE and CONSTITUENT statements as written
CaIn-13Wan.tdb: LIQUID, type code %, sha256 79293c7821a91f29…
20: PHASE LIQUID:L % 1 1 ! 21: CONST LIQUID:L : CA IN : !
CaIn-15Qin.tdb: LIQUID, type code %, sha256 09448428a82f51e5…
25: PHASE LIQUID:L % 1 1 ! 26: CONST LIQUID:L : CA IN : !
Example references (3 of 3; assessments first):
- doi:10.1007/s11669-013-0258-6 Lei Wang, Yajun Liu, Jing Liu, Thermodynamic Basis and Related Phase Equilibria for In-Na and In-Ca Binary Systems, J. Phase Equilib. Diffus. 34, 447-452 (2013).
assessment that models this phase; reports values for this phase - doi:10.1016/j.calphad.2014.10.008 Song Qin, Shuhong Liu, Cong Zhang, Jinghua Xin, Yao Wang, Yong Du, Thermodynamic modeling of the Ca–In and Ca–Sb systems supported with first-principles calculations, Calphad 48, 35-42 (2015).
assessment that models this phase - doi:10.1016/0022-5088(64)90081-5 G. Bruzzone, A.F. Ruggiero, The equilibrium diagram of the calcium-indium system, Journal of the Less Common Metals 7, 368-372 (1964).
cited as the source of values for this phase