Ba–Cu phases

6 phases (tier A 4, tier C 1, liquid 1); 5 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 · Ba–Cu system page · Markdown · field reference

Phases of the Ba–Cu system (6)
Phase	Structure	Basis	Stability (calculated)	TDB models
BACU phase:ba-cu:bacu	BaCu · hP8 · P6_3/mmc (194)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 2 of 2 calculated diagram(s): 300–823.1 K, x(Cu) 0.5–0.5	2
BACU13_D23 phase:ba-cu:bacu13-d23	NaZn13 · D2_3 · cF112 · Fm-3c (226)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–1031.68 K, x(Cu) 0.92857–0.92857	2
BCC_A2 phase:ba-cu:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–1011.23 K, x(Cu) 0–2e-05	2
FCC_A1 phase:ba-cu:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–2499.94 K, x(Cu) 0.99999–1	2
HCP_A3 phase:ba-cu:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 2 calculated diagram(s)	2
LIQUID phase:ba-cu:liquid	liquid	liquid	stable in 2 of 2 calculated diagram(s): 733.11–2500 K, x(Cu) 0–1	2

BACU (Ba–Cu)

Id: phase:ba-cu:bacu; status assigned
Structure: BaCu · hP8 · P6_3/mmc (194); type st:bacu-hp8; 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_mp, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Ba 0.5000, Cu 0.5000
Stability: stable in 2 of 2 calculated diagram(s): 300–823.1 K, x(Cu) 0.5–0.5
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ba-cu:bacu
tdb: tdb:BaCu-93Kon-LB.tdb:BACU, tdb:BaCu-98Lys.tdb:BACU

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

BaCu-93Kon-LB.tdb: BACU, type code %, sha256 1d51146aafb7ffe0…

44: PHASE BACU % 2 1 1 !
45: CONST BACU : BA : CU : !

BaCu-98Lys.tdb: BACU, type code %, sha256 23cbb93ece40a4f8…

43: PHASE BACU % 2 1 1 !
44: CONST BACU : BA : CU : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-1993-840810 R. Konetzki, R. Schmid-Fetzer, A. Watson, B. Argent, S.G. Fries, H.L. Lukas, Z. Metallkd., 84, 569-73(1993).
assessment that models this phase

BACU13_D23 (Ba–Cu)

Id: phase:ba-cu:bacu13-d23; status assigned
Structure: NaZn13 · D2_3 · cF112 · Fm-3c (226); type st:d2-3-nazn13-cf112; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaaays and oqmd-18752, space group 226
Stoichiometry: Ba 0.0714, Cu 0.9286
Stability: stable in 2 of 2 calculated diagram(s): 300–1031.68 K, x(Cu) 0.92857–0.92857
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:ba-cu:bacu13-d23
mp: mp:mp-aaaaaays
oqmd: oqmd:oqmd-18752
tdb: tdb:BaCu-93Kon-LB.tdb:BACU13_D23, tdb:BaCu-98Lys.tdb:BACU13_D23

TDB models of BACU13_D23 (2): PHASE and CONSTITUENT statements as written

BaCu-93Kon-LB.tdb: BACU13_D23, type code %, sha256 1d51146aafb7ffe0…

49: PHASE BACU13_D23 % 2 1 13 !
50: CONST BACU13_D23 : BA : CU : !

BaCu-98Lys.tdb: BACU13_D23, type code %, sha256 23cbb93ece40a4f8…

48: PHASE BACU13_D23 % 2 1 13 !
49: CONST BACU13_D23 : BA : CU : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-1993-840810 R. Konetzki, R. Schmid-Fetzer, A. Watson, B. Argent, S.G. Fries, H.L. Lukas, Z. Metallkd., 84, 569-73(1993).
assessment that models this phase

BCC_A2 (Ba–Cu)

Id: phase:ba-cu: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 2 of 2 calculated diagram(s): 300–1011.23 K, x(Cu) 0–2e-05
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ba-cu:bcc-a2
tdb: tdb:BaCu-93Kon-LB.tdb:BCC_A2, tdb:BaCu-98Lys.tdb:BCC_A2

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

BaCu-93Kon-LB.tdb: BCC_A2, type code %B, sha256 1d51146aafb7ffe0…

34: PHASE BCC_A2 %B 2 1 3 !
35: CONST BCC_A2 : BA% CU : VA : !

BaCu-98Lys.tdb: BCC_A2, type code %B, sha256 23cbb93ece40a4f8…

33: PHASE BCC_A2 %B 2 1 3 !
34: CONST BCC_A2 : BA% CU : VA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-1993-840810 R. Konetzki, R. Schmid-Fetzer, A. Watson, B. Argent, S.G. Fries, H.L. Lukas, Z. Metallkd., 84, 569-73(1993).
assessment that models this phase

FCC_A1 (Ba–Cu)

Id: phase:ba-cu: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 2 of 2 calculated diagram(s): 300–2499.94 K, x(Cu) 0.99999–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ba-cu:fcc-a1
tdb: tdb:BaCu-93Kon-LB.tdb:FCC_A1, tdb:BaCu-98Lys.tdb:FCC_A1

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

BaCu-93Kon-LB.tdb: FCC_A1, type code %A, sha256 1d51146aafb7ffe0…

29: PHASE FCC_A1 %A 2 1 1 !
30: CONST FCC_A1 : BA CU% : VA : !

BaCu-98Lys.tdb: FCC_A1, type code %A, sha256 23cbb93ece40a4f8…

28: PHASE FCC_A1 %A 2 1 1 !
29: CONST FCC_A1 : BA CU% : VA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-1993-840810 R. Konetzki, R. Schmid-Fetzer, A. Watson, B. Argent, S.G. Fries, H.L. Lukas, Z. Metallkd., 84, 569-73(1993).
assessment that models this phase

HCP_A3 (Ba–Cu)

Id: phase:ba-cu: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 2 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ba-cu:hcp-a3
tdb: tdb:BaCu-93Kon-LB.tdb:HCP_A3, tdb:BaCu-98Lys.tdb:HCP_A3

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

BaCu-93Kon-LB.tdb: HCP_A3, type code %A, sha256 1d51146aafb7ffe0…

39: PHASE HCP_A3 %A 2 1 0.5 !
40: CONST HCP_A3 : BA CU : VA : !

BaCu-98Lys.tdb: HCP_A3, type code %A, sha256 23cbb93ece40a4f8…

38: PHASE HCP_A3 %A 2 1 0.5 !
39: CONST HCP_A3 : BA CU : VA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-1993-840810 R. Konetzki, R. Schmid-Fetzer, A. Watson, B. Argent, S.G. Fries, H.L. Lukas, Z. Metallkd., 84, 569-73(1993).
assessment that models this phase

LIQUID (Ba–Cu)

Id: phase:ba-cu:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 733.11–2500 K, x(Cu) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ba-cu:liquid
tdb: tdb:BaCu-93Kon-LB.tdb:LIQUID, tdb:BaCu-98Lys.tdb:LIQUID

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

BaCu-93Kon-LB.tdb: LIQUID, type code %, sha256 1d51146aafb7ffe0…

24: PHASE LIQUID:L % 1 1 !
25: CONST LIQUID:L : BA CU : !

BaCu-98Lys.tdb: LIQUID, type code %, sha256 23cbb93ece40a4f8…

23: PHASE LIQUID:L % 1 1 !
24: CONST LIQUID:L : BA CU : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-1993-840810 R. Konetzki, R. Schmid-Fetzer, A. Watson, B. Argent, S.G. Fries, H.L. Lukas, Z. Metallkd., 84, 569-73(1993).
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}
}