Bi–Zr phases

10 phases (tier A 4, tier B 1, tier C 1, liquid 1, needs_review 3); 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 · Bi–Zr system page · Markdown · field reference

Phases of the Bi–Zr system (10)
Phase	Structure	Basis	Stability (calculated)	TDB models
RHOMBOHEDRAL_A7 phase:bi-zr: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(Zr) 0–0	1
BCC_A2 phase:bi-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 977.93–2342.85 K, x(Zr) 0.86157–1	1
BI2ZR phase:bi-zr:bi2zr	TiAs2 · oP24 · Pnnm (58)	tier B: DFT-supported (unique MP + OQMD match)	stable in 1 of 1 calculated diagram(s): 300–1018.01 K, x(Zr) 0.33333–0.33333	1
BI2ZR3 phase:bi-zr:bi2zr3		needs_review	stable in 1 of 1 calculated diagram(s): 300–1766.91 K, x(Zr) 0.6–0.6	1
BI5ZR3 phase:bi-zr:bi5zr3		needs_review	stable in 1 of 1 calculated diagram(s): 1004.43–1106.84 K, x(Zr) 0.38168–0.38168	1
BIZR phase:bi-zr:bizr	SbZr · oC24 · Cmcm (63)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–1577.11 K, x(Zr) 0.5–0.5	1
BIZR2 phase:bi-zr:bizr2		needs_review	stable in 1 of 1 calculated diagram(s): 300–1614.38 K, x(Zr) 0.66667–0.66667	1
FCC_A1 phase:bi-zr:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 1 calculated diagram(s)	1
HCP_A3 phase:bi-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1172.93 K, x(Zr) 0.95712–1	1
LIQUID phase:bi-zr:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 544.55–4000 K, x(Zr) 0–1	1

RHOMBOHEDRAL_A7 (Bi–Zr)

Id: phase:bi-zr: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(Zr) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

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

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

BiZr-22Gao.tdb: RHOMBOHEDRAL_A7, type code %, sha256 11281eb6a2ab5930…

45: PHASE RHOMBOHEDRAL_A7 % 1 1 !
46: 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–Zr)

Id: phase:bi-zr: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): 977.93–2342.85 K, x(Zr) 0.86157–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

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

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

BiZr-22Gao.tdb: BCC_A2, type code %B, sha256 11281eb6a2ab5930…

35: PHASE BCC_A2 %B 2 1 3 !
36: CONST BCC_A2 : BI ZR% : 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

BI2ZR (Bi–Zr)

Id: phase:bi-zr:bi2zr; status assigned
Structure: TiAs2 · oP24 · Pnnm (58); type st:tias2-op24; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: Bi 0.6667, Zr 0.3333
Stability: stable in 1 of 1 calculated diagram(s): 300–1018.01 K, x(Zr) 0.33333–0.33333
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:bi-zr:bi2zr
mp: mp:mp-aaaabrwc
oqmd: oqmd:oqmd-7896
tdb: tdb:BiZr-22Gao.tdb:BI2ZR

TDB models of BI2ZR (1): PHASE and CONSTITUENT statements as written

BiZr-22Gao.tdb: BI2ZR, type code %, sha256 11281eb6a2ab5930…

50: PHASE BI2ZR % 2 2 1 !
51: CONST BI2ZR : BI : ZR : !

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

BI2ZR3 (Bi–Zr)

Id: phase:bi-zr:bi2zr3; status needs_review
No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_row_incomplete
Candidate (sgte_mmc2): (Bi2Zr3) — Hallstedt 2025 mmc2 row for BI2ZR3: Bi2Zr3
Stoichiometry: Bi 0.4000, Zr 0.6000
Stability: stable in 1 of 1 calculated diagram(s): 300–1766.91 K, x(Zr) 0.6–0.6
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-zr:bi2zr3
tdb: tdb:BiZr-22Gao.tdb:BI2ZR3

TDB models of BI2ZR3 (1): PHASE and CONSTITUENT statements as written

BiZr-22Gao.tdb: BI2ZR3, type code %, sha256 11281eb6a2ab5930…

65: PHASE BI2ZR3 % 2 2 3 !
66: CONST BI2ZR3 : BI : ZR : !

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

BI5ZR3 (Bi–Zr)

Id: phase:bi-zr:bi5zr3; status needs_review
No structure assigned. Why: assessment_declared_compound_differs_from_model_composition; no_on_hull_entry_in_both; no_structure_token
Candidate (sgte_mmc2): Ga5Ir3 · tP32 · P-4n2 (118) — Hallstedt 2025 mmc2 row for BI5ZR3: Bi5Zr3
Candidate (tdb_comment): Ga5Ir3 · tP32 · P-4n2 — BiZr-22Gao.tdb: 'Prototype Ga5Ir3 (tP32, P-4n2)'
Stoichiometry: Bi 0.6183, Zr 0.3817
Stability: stable in 1 of 1 calculated diagram(s): 1004.43–1106.84 K, x(Zr) 0.38168–0.38168
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-zr:bi5zr3
tdb: tdb:BiZr-22Gao.tdb:BI5ZR3

TDB models of BI5ZR3 (1): PHASE and CONSTITUENT statements as written

BiZr-22Gao.tdb: BI5ZR3, type code %, sha256 11281eb6a2ab5930…

55: PHASE BI5ZR3 % 2 1.62 1 !
56: CONST BI5ZR3 : BI : ZR : !

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

BIZR (Bi–Zr)

Id: phase:bi-zr:bizr; status assigned
Structure: SbZr · oC24 · Cmcm (63); type st:sbzr-oc24; 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 0.5000, Zr 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 300–1577.11 K, x(Zr) 0.5–0.5
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-zr:bizr
tdb: tdb:BiZr-22Gao.tdb:BIZR

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

BiZr-22Gao.tdb: BIZR, type code %, sha256 11281eb6a2ab5930…

60: PHASE BIZR % 2 1 1 !
61: CONST BIZR : BI : ZR : !

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

BIZR2 (Bi–Zr)

Id: phase:bi-zr:bizr2; status needs_review
No structure assigned. Why: no_on_hull_entry_in_mp; no_structure_token; sgte_mmc2_row_incomplete
Candidate (dft_oqmd): C2/m (12) — on-hull OQMD Bi1 Zr2 at x(ZR)=0.6667
Candidate (sgte_mmc2): (BiZr2) — Hallstedt 2025 mmc2 row for BIZR2: BiZr2
Stoichiometry: Bi 0.3333, Zr 0.6667
Stability: stable in 1 of 1 calculated diagram(s): 300–1614.38 K, x(Zr) 0.66667–0.66667
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-zr:bizr2
tdb: tdb:BiZr-22Gao.tdb:BIZR2

TDB models of BIZR2 (1): PHASE and CONSTITUENT statements as written

BiZr-22Gao.tdb: BIZR2, type code %, sha256 11281eb6a2ab5930…

70: PHASE BIZR2 % 2 1 2 !
71: CONST BIZR2 : BI : ZR : !

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–Zr)

Id: phase:bi-zr:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; 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-zr:fcc-a1
tdb: tdb:BiZr-22Gao.tdb:FCC_A1

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

BiZr-22Gao.tdb: FCC_A1, type code %A, sha256 11281eb6a2ab5930…

30: PHASE FCC_A1 %A 2 1 1 !
31: CONST FCC_A1 : BI ZR : 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–Zr)

Id: phase:bi-zr: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: stable in 1 of 1 calculated diagram(s): 300–1172.93 K, x(Zr) 0.95712–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

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

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

BiZr-22Gao.tdb: HCP_A3, type code %A, sha256 11281eb6a2ab5930…

40: PHASE HCP_A3 %A 2 1 0.5 !
41: CONST HCP_A3 : BI ZR% : 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–Zr)

Id: phase:bi-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 544.55–4000 K, x(Zr) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-zr:liquid
tdb: tdb:BiZr-22Gao.tdb:LIQUID

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

BiZr-22Gao.tdb: LIQUID, type code %, sha256 11281eb6a2ab5930…

25: PHASE LIQUID:L % 1 1 !
26: CONST LIQUID:L : BI ZR : !

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}
}