Bi–Ca phases

8 phases (tier A 4, tier C 2, liquid 1, needs_review 1); 7 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 · Bi–Ca system page · Markdown · field reference

Phases of the Bi–Ca system (8)
Phase	Structure	Basis	Stability (calculated)	TDB models
RHOMBOHEDRAL_A7 phase:bi-ca:a7-rhombohedral	alpha-As · A7 · hR2 · R-3m (166)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–544.55 K, x(Ca) 0–0	1
BCC_A2 phase:bi-ca:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 716.03–2500 K, x(Ca) 1–1	1
BI10CA11_HT phase:bi-ca:bi10ca11-ht		needs_review	stable in 1 of 1 calculated diagram(s): 767–1370.16 K, x(Ca) 0.52381–0.52381	1
BI10CA11_LT phase:bi-ca:bi10ca11-lt	Ge10Ho11 · tI84 · I4/mmm (139)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–767 K, x(Ca) 0.52381–0.52381	1
BI3CA5 phase:bi-ca:bi3ca5	Sb3Yb5 · oP32 · Pnma (62)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–1624.27 K, x(Ca) 0.625–0.625	1
FCC_A1 phase:bi-ca:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–716.03 K, x(Ca) 1–1	1
HCP_A3 phase:bi-ca:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 1 calculated diagram(s)	1
LIQUID phase:bi-ca:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 542.57–2500 K, x(Ca) 0–1	1

RHOMBOHEDRAL_A7 (Bi–Ca)

Id: phase:bi-ca:a7-rhombohedral; status assigned
Structure: alpha-As · A7 · hR2 · R-3m (166); type st:a7-alpha-as-hr2; tier A: standard phase name; confidence high
Stoichiometry: Bi 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 300–544.55 K, x(Ca) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-ca:a7-rhombohedral
tdb: tdb:BiCa-22Gao.tdb:RHOMBOHEDRAL_A7

TDB models of RHOMBOHEDRAL_A7 (1): PHASE and CONSTITUENT statements as written

BiCa-22Gao.tdb: RHOMBOHEDRAL_A7, type code %, sha256 3dc2186b03d995a0…

41: PHASE RHOMBOHEDRAL_A7 % 1 1 !
42: CONST RHOMBOHEDRAL_A7 : BI : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8428 F. Gao, Y. Liu, P. Zhou, D. Huang, T. Fu, S. Zhang, Y. Du, Int. J. Mater. Res., 113, 419-27(2022).
assessment that models this phase

BCC_A2 (Bi–Ca)

Id: phase:bi-ca:bcc-a2; status assigned
Structure: W · A2 · cI2 · Im-3m (229); type st:a2-w-ci2; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 716.03–2500 K, x(Ca) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-ca:bcc-a2
tdb: tdb:BiCa-22Gao.tdb:BCC_A2

TDB models of BCC_A2 (1): PHASE and CONSTITUENT statements as written

BiCa-22Gao.tdb: BCC_A2, type code %B, sha256 3dc2186b03d995a0…

31: PHASE BCC_A2 %B 2 1 3 !
32: CONST BCC_A2 : BI CA% : VA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8428 F. Gao, Y. Liu, P. Zhou, D. Huang, T. Fu, S. Zhang, Y. Du, Int. J. Mater. Res., 113, 419-27(2022).
assessment that models this phase

BI10CA11_HT (Bi–Ca)

Id: phase:bi-ca:bi10ca11-ht; status needs_review
No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition; sgte_mmc2_row_incomplete
Candidate (dft_mp): I4/mmm (139) — on-hull MP Ca11Bi10 at x(CA)=0.5238
Candidate (dft_oqmd): I4/mmm (139) — on-hull OQMD Bi10 Ca11 at x(CA)=0.5238
Candidate (sgte_mmc2): (Bi10Ca11) — Hallstedt 2025 mmc2 row for BI10CA11_HT: Bi10Ca11 (high T)
Stoichiometry: Bi 0.4762, Ca 0.5238
Stability: stable in 1 of 1 calculated diagram(s): 767–1370.16 K, x(Ca) 0.52381–0.52381
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-ca:bi10ca11-ht
tdb: tdb:BiCa-22Gao.tdb:BI10CA11_HT

TDB models of BI10CA11_HT (1): PHASE and CONSTITUENT statements as written

BiCa-22Gao.tdb: BI10CA11_HT, type code %, sha256 3dc2186b03d995a0…

51: PHASE BI10CA11_HT % 2 10 11 !
52: CONST BI10CA11_HT : BI : CA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8428 F. Gao, Y. Liu, P. Zhou, D. Huang, T. Fu, S. Zhang, Y. Du, Int. J. Mater. Res., 113, 419-27(2022).
assessment that models this phase

BI10CA11_LT (Bi–Ca)

Id: phase:bi-ca:bi10ca11-lt; status assigned
Structure: Ge10Ho11 · tI84 · I4/mmm (139); type st:ge10ho11-ti84; 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_structure_token, polymorph_family:other phases of this system have the same composition); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Bi 0.4762, Ca 0.5238
Stability: stable in 1 of 1 calculated diagram(s): 300–767 K, x(Ca) 0.52381–0.52381
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-ca:bi10ca11-lt
tdb: tdb:BiCa-22Gao.tdb:BI10CA11_LT

TDB models of BI10CA11_LT (1): PHASE and CONSTITUENT statements as written

BiCa-22Gao.tdb: BI10CA11_LT, type code %, sha256 3dc2186b03d995a0…

46: PHASE BI10CA11_LT % 2 10 11 !
47: CONST BI10CA11_LT : BI : CA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8428 F. Gao, Y. Liu, P. Zhou, D. Huang, T. Fu, S. Zhang, Y. Du, Int. J. Mater. Res., 113, 419-27(2022).
assessment that models this phase

BI3CA5 (Bi–Ca)

Id: phase:bi-ca:bi3ca5; status assigned
Structure: Sb3Yb5 · oP32 · Pnma (62); type st:sb3yb5-op32; 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: Bi 0.3750, Ca 0.6250
Stability: stable in 1 of 1 calculated diagram(s): 300–1624.27 K, x(Ca) 0.625–0.625
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-ca:bi3ca5
tdb: tdb:BiCa-22Gao.tdb:BI3CA5

TDB models of BI3CA5 (1): PHASE and CONSTITUENT statements as written

BiCa-22Gao.tdb: BI3CA5, type code %, sha256 3dc2186b03d995a0…

56: PHASE BI3CA5 % 2 3 5 !
57: CONST BI3CA5 : BI : CA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8428 F. Gao, Y. Liu, P. Zhou, D. Huang, T. Fu, S. Zhang, Y. Du, Int. J. Mater. Res., 113, 419-27(2022).
assessment that models this phase

FCC_A1 (Bi–Ca)

Id: phase:bi-ca:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 300–716.03 K, x(Ca) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-ca:fcc-a1
tdb: tdb:BiCa-22Gao.tdb:FCC_A1

TDB models of FCC_A1 (1): PHASE and CONSTITUENT statements as written

BiCa-22Gao.tdb: FCC_A1, type code %A, sha256 3dc2186b03d995a0…

26: PHASE FCC_A1 %A 2 1 1 !
27: CONST FCC_A1 : BI CA% : VA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8428 F. Gao, Y. Liu, P. Zhou, D. Huang, T. Fu, S. Zhang, Y. Du, Int. J. Mater. Res., 113, 419-27(2022).
assessment that models this phase

HCP_A3 (Bi–Ca)

Id: phase:bi-ca:hcp-a3; status assigned
Structure: Mg · A3 · hP2 · P6_3/mmc (194); type st:a3-mg-hp2; tier A: standard phase name; confidence high
Stability: not stable in 1 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-ca:hcp-a3
tdb: tdb:BiCa-22Gao.tdb:HCP_A3

TDB models of HCP_A3 (1): PHASE and CONSTITUENT statements as written

BiCa-22Gao.tdb: HCP_A3, type code %A, sha256 3dc2186b03d995a0…

36: PHASE HCP_A3 %A 2 1 0.5 !
37: CONST HCP_A3 : BI CA : VA: !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8428 F. Gao, Y. Liu, P. Zhou, D. Huang, T. Fu, S. Zhang, Y. Du, Int. J. Mater. Res., 113, 419-27(2022).
assessment that models this phase

LIQUID (Bi–Ca)

Id: phase:bi-ca:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 542.57–2500 K, x(Ca) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-ca:liquid
tdb: tdb:BiCa-22Gao.tdb:LIQUID

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

BiCa-22Gao.tdb: LIQUID, type code %, sha256 3dc2186b03d995a0…

21: PHASE LIQUID:L % 1 1 !
22: CONST LIQUID:L : BI CA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8428 F. Gao, Y. Liu, P. Zhou, D. Huang, T. Fu, S. Zhang, Y. Du, Int. J. Mater. Res., 113, 419-27(2022).
assessment that models this phase

Please cite

R. Arróyave, J. Saal, D. Shin, ORCHID-Registry: phase registry of binary systems (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735970
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 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); the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work). 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_phase_registry_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Registry: phase registry of binary systems}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735970},
  url       = {https://doi.org/10.5281/zenodo.23735970},
  note      = {Version 1, machine-extracted}
}

@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}
}