Be–Zr phases

10 phases (tier A 7, tier B 1, liquid 1, needs_review 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 · Be–Zr system page · Markdown · field reference

Phases of the Be–Zr system (10)
Phase	Structure	Basis	Stability (calculated)	TDB models
BCC_A2 phase:be-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1099.37–3999.19 K, x(Zr) 0–1	1
BCC_B2 phase:be-zr:bcc-b2	CsCl · B2 · cP2 · Pm-3m (221)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1088.69–3999.1 K, x(Zr) 0–1	1
BE12ZR_D23 phase:be-zr:be12zr-d23		needs_review	stable in 1 of 1 calculated diagram(s): 300–1905.6 K, x(Zr) 0.07692–0.07692	1
BE13ZR_D23 phase:be-zr:be13zr-d23	NaZn13 · D2_3 · cF112 · Fm-3c (226)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–2066.53 K, x(Zr) 0.07143–0.07143	1
BE17ZR2 phase:be-zr:be17zr2	Th2Zn17 · hR19 · R-3m (166)	tier B: DFT-supported (unique MP + OQMD match)	stable in 2 of 2 calculated diagram(s): 300–1872.21 K, x(Zr) 0.10526–0.10526	2
BE2ZR_C32 phase:be-zr:be2zr-c32	AlB2 · C32 · hP3 · P6/mmm (191)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–1644.72 K, x(Zr) 0.33333–0.33333	2
BE5ZR_D2D phase:be-zr:be5zr-d2d	CaCu5 · D2_d · hP6 · P6/mmm (191)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–1752.48 K, x(Zr) 0.16667–0.16667	2
FCC_A1 phase:be-zr:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 2 calculated diagram(s)	2
HCP_A3 phase:be-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–2124.37 K, x(Zr) 0–1	2
LIQUID phase:be-zr:liquid	liquid	liquid	stable in 2 of 2 calculated diagram(s): 1167.94–4000 K, x(Zr) 0–1	2

BCC_A2 (Be–Zr)

Id: phase:be-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): 1099.37–3999.19 K, x(Zr) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:be-zr:bcc-a2
tdb: tdb:BeZr-85Sau.tdb:BCC_A2

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

BeZr-85Sau.tdb: BCC_A2, type code %B, sha256 eeb887c8361cfb33…

33: PHASE BCC_A2 %B 2 1 3 !
34: CONST BCC_A2 : BE% ZR% : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase

BCC_B2 (Be–Zr)

Id: phase:be-zr:bcc-b2; status assigned
Structure: CsCl · B2 · cP2 · Pm-3m (221); type st:b2-cscl-cp2; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in BeZr-06Tok.tdb also describes the disordered state
Stability: stable in 1 of 1 calculated diagram(s): 1088.69–3999.1 K, x(Zr) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:be-zr:bcc-b2
tdb: tdb:BeZr-06Tok.tdb:BCC_B2

TDB models of BCC_B2 (1): PHASE and CONSTITUENT statements as written

BeZr-06Tok.tdb: BCC_B2, type code %B, sha256 111f71459115d164…

38: PHASE BCC_B2 %B 3 0.5 0.5 3 !
39: CONST BCC_B2 : BE% ZR : BE ZR% : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2005.09.007 Tatsuya Tokunaga, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic analysis of the Zr–Be system using thermochemical properties based on ab initio calculations, Calphad 30, 201-208 (2006).
assessment that models this phase

BE12ZR_D23 (Be–Zr)

Id: phase:be-zr:be12zr-d23; status needs_review
No structure assigned. Why: stoichiometry_contradicts_D2_3:BeZr-85Sau.tdb
Candidate (name_token): NaZn13 · D2_3 · cF112 · Fm-3c (226) — Strukturbericht/word 'D23' in the TDB name
Candidate (tdb_comment): NaZn13 · cF112 · Fm-3c — BeZr-85Sau.tdb: 'Prototype NaZn13 (cF112, Fm-3c)'
Stoichiometry: Be 0.9231, Zr 0.0769
Stability: stable in 1 of 1 calculated diagram(s): 300–1905.6 K, x(Zr) 0.07692–0.07692
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:be-zr:be12zr-d23
tdb: tdb:BeZr-85Sau.tdb:BE12ZR_D23

TDB models of BE12ZR_D23 (1): PHASE and CONSTITUENT statements as written

BeZr-85Sau.tdb: BE12ZR_D23, type code %, sha256 eeb887c8361cfb33…

43: PHASE BE12ZR_D23 % 2 12 1 !
44: CONST BE12ZR_D23 : BE : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase

BE13ZR_D23 (Be–Zr)

Id: phase:be-zr:be13zr-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-aaaabtaz and oqmd-10913, space group 226
Stoichiometry: Be 0.9286, Zr 0.0714
Stability: stable in 1 of 1 calculated diagram(s): 300–2066.53 K, x(Zr) 0.07143–0.07143
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:be-zr:be13zr-d23
mp: mp:mp-aaaabtaz
oqmd: oqmd:oqmd-10913
tdb: tdb:BeZr-06Tok.tdb:BE13ZR_D23

TDB models of BE13ZR_D23 (1): PHASE and CONSTITUENT statements as written

BeZr-06Tok.tdb: BE13ZR_D23, type code %, sha256 111f71459115d164…

48: PHASE BE13ZR_D23 % 2 13 1 !
49: CONST BE13ZR_D23 : BE : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2005.09.007 Tatsuya Tokunaga, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic analysis of the Zr–Be system using thermochemical properties based on ab initio calculations, Calphad 30, 201-208 (2006).
assessment that models this phase

BE17ZR2 (Be–Zr)

Id: phase:be-zr:be17zr2; status assigned
Structure: Th2Zn17 · hR19 · R-3m (166); type st:th2zn17-hr19; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: Be 0.8947, Zr 0.1053
Stability: stable in 2 of 2 calculated diagram(s): 300–1872.21 K, x(Zr) 0.10526–0.10526
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:be-zr:be17zr2
mp: mp:mp-aaaaadtw
oqmd: oqmd:oqmd-10914
tdb: tdb:BeZr-06Tok.tdb:BE17ZR2, tdb:BeZr-85Sau.tdb:BE17ZR2

TDB models of BE17ZR2 (2): PHASE and CONSTITUENT statements as written

BeZr-06Tok.tdb: BE17ZR2, type code %, sha256 111f71459115d164…

53: PHASE BE17ZR2 % 2 17 2 !
54: CONST BE17ZR2 : BE : ZR : !

BeZr-85Sau.tdb: BE17ZR2, type code %, sha256 eeb887c8361cfb33…

48: PHASE BE17ZR2 % 2 17 2 !
49: CONST BE17ZR2 : BE : ZR : !

Example references (2 of 2; assessments first):

doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.calphad.2005.09.007 Tatsuya Tokunaga, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic analysis of the Zr–Be system using thermochemical properties based on ab initio calculations, Calphad 30, 201-208 (2006).
assessment that models this phase

BE2ZR_C32 (Be–Zr)

Id: phase:be-zr:be2zr-c32; status assigned
Structure: AlB2 · C32 · hP3 · P6/mmm (191); type st:c32-alb2-hp3; tier A: standard phase name; confidence high
Stoichiometry: Be 0.6667, Zr 0.3333
Stability: stable in 2 of 2 calculated diagram(s): 300–1644.72 K, x(Zr) 0.33333–0.33333
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:be-zr:be2zr-c32
tdb: tdb:BeZr-06Tok.tdb:BE2ZR_C32, tdb:BeZr-85Sau.tdb:BE2ZR_C32

TDB models of BE2ZR_C32 (2): PHASE and CONSTITUENT statements as written

BeZr-06Tok.tdb: BE2ZR_C32, type code %, sha256 111f71459115d164…

63: PHASE BE2ZR_C32 % 2 2 1 !
64: CONST BE2ZR_C32 : BE : ZR : !

BeZr-85Sau.tdb: BE2ZR_C32, type code %, sha256 eeb887c8361cfb33…

58: PHASE BE2ZR_C32 % 2 2 1 !
59: CONST BE2ZR_C32 : BE : ZR : !

Example references (2 of 2; assessments first):

doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.calphad.2005.09.007 Tatsuya Tokunaga, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic analysis of the Zr–Be system using thermochemical properties based on ab initio calculations, Calphad 30, 201-208 (2006).
assessment that models this phase

BE5ZR_D2D (Be–Zr)

Id: phase:be-zr:be5zr-d2d; status assigned
Structure: CaCu5 · D2_d · hP6 · P6/mmm (191); type st:d2-d-cacu5-hp6; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaaqrz and oqmd-10912, space group 191
Stoichiometry: Be 0.8333, Zr 0.1667
Stability: stable in 2 of 2 calculated diagram(s): 300–1752.48 K, x(Zr) 0.16667–0.16667
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:be-zr:be5zr-d2d
mp: mp:mp-aaaaaqrz
oqmd: oqmd:oqmd-10912
tdb: tdb:BeZr-06Tok.tdb:BE5ZR_D2D, tdb:BeZr-85Sau.tdb:BE5ZR_D2D

TDB models of BE5ZR_D2D (2): PHASE and CONSTITUENT statements as written

BeZr-06Tok.tdb: BE5ZR_D2D, type code %, sha256 111f71459115d164…

58: PHASE BE5ZR_D2D % 2 5 1 !
59: CONST BE5ZR_D2D : BE : ZR : !

BeZr-85Sau.tdb: BE5ZR_D2D, type code %, sha256 eeb887c8361cfb33…

53: PHASE BE5ZR_D2D % 2 5 1 !
54: CONST BE5ZR_D2D : BE : ZR : !

Example references (2 of 2; assessments first):

doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.calphad.2005.09.007 Tatsuya Tokunaga, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic analysis of the Zr–Be system using thermochemical properties based on ab initio calculations, Calphad 30, 201-208 (2006).
assessment that models this phase

FCC_A1 (Be–Zr)

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

Names (3): corpus: corpus:phase:be-zr:fcc-a1
tdb: tdb:BeZr-06Tok.tdb:FCC_A1, tdb:BeZr-85Sau.tdb:FCC_A1

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

BeZr-06Tok.tdb: FCC_A1, type code %A, sha256 111f71459115d164…

27: PHASE FCC_A1 %A 2 1 1 !
28: CONST FCC_A1 : BE ZR : VA : !

BeZr-85Sau.tdb: FCC_A1, type code %A, sha256 eeb887c8361cfb33…

28: PHASE FCC_A1 %A 2 1 1 !
29: CONST FCC_A1 : BE ZR : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.calphad.2005.09.007 Tatsuya Tokunaga, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic analysis of the Zr–Be system using thermochemical properties based on ab initio calculations, Calphad 30, 201-208 (2006).
assessment that models this phase

HCP_A3 (Be–Zr)

Id: phase:be-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 2 of 2 calculated diagram(s): 300–2124.37 K, x(Zr) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:be-zr:hcp-a3
tdb: tdb:BeZr-06Tok.tdb:HCP_A3, tdb:BeZr-85Sau.tdb:HCP_A3

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

BeZr-06Tok.tdb: HCP_A3, type code %A, sha256 111f71459115d164…

43: PHASE HCP_A3 %A 2 1 0.5 !
44: CONST HCP_A3 : BE% ZR% : VA : !

BeZr-85Sau.tdb: HCP_A3, type code %A, sha256 eeb887c8361cfb33…

38: PHASE HCP_A3 %A 2 1 0.5 !
39: CONST HCP_A3 : BE% ZR% : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.calphad.2005.09.007 Tatsuya Tokunaga, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic analysis of the Zr–Be system using thermochemical properties based on ab initio calculations, Calphad 30, 201-208 (2006).
assessment that models this phase

LIQUID (Be–Zr)

Id: phase:be-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 1167.94–4000 K, x(Zr) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:be-zr:liquid
tdb: tdb:BeZr-06Tok.tdb:LIQUID, tdb:BeZr-85Sau.tdb:LIQUID

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

BeZr-06Tok.tdb: LIQUID, type code %, sha256 111f71459115d164…

22: PHASE LIQUID:L % 1 1 !
23: CONST LIQUID:L : BE ZR : !

BeZr-85Sau.tdb: LIQUID, type code %, sha256 eeb887c8361cfb33…

23: PHASE LIQUID:L % 1 1 !
24: CONST LIQUID:L : BE ZR : !

Example references (2 of 2; assessments first):

doi:10.1016/0364-5916(85)90001-X N. Saunders, Calphad, 9, 297-309(1985).
assessment that models this phase
doi:10.1016/j.calphad.2005.09.007 Tatsuya Tokunaga, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic analysis of the Zr–Be system using thermochemical properties based on ab initio calculations, Calphad 30, 201-208 (2006).
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}
}