Zn–Zr phases

12 phases (tier A 6, tier B 1, tier C 2, liquid 1, needs_review 2); 11 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 · Zn–Zr system page · Markdown · field reference

Phases of the Zn–Zr system (12)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:zn-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 990.92–3178.55 K, x(Zr) 0.72038–1	12	2
FCC_A1 phase:zn-zr:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 2 calculated diagram(s)	0	2
HCP_A3 phase:zn-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–1146.18 K, x(Zr) 0–1	10	2
LIQUID phase:zn-zr:liquid	liquid	liquid	stable in 2 of 2 calculated diagram(s): 692.67–4000 K, x(Zr) 0–1	26	2
ZN22ZR phase:zn-zr:zn22zr	Zn22Zr · cF184 · Fd-3m (227)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 2 of 2 calculated diagram(s): 300–816.74 K, x(Zr) 0.04348–0.04348	12	2
ZN2ZR_C15 phase:zn-zr:zn2zr-c15	Cu2Mg · C15 · cF24 · Fd-3m (227)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–1456.88 K, x(Zr) 0.33333–0.33333	18	2
ZN2ZR3 phase:zn-zr:zn2zr3		needs_review	stable in 2 of 2 calculated diagram(s): 1207.38–1308.38 K, x(Zr) 0.6–0.6	3	2
ZN39ZR5 phase:zn-zr:zn39zr5	Zn39Zr5 · mC88 · C2/m (12)	tier B: DFT-supported (unique MP + OQMD match)	stable in 2 of 2 calculated diagram(s): 300–1021.03 K, x(Zr) 0.11364–0.11364	7	2
ZN3ZR_HT phase:zn-zr:zn3zr		needs_review	stable in 2 of 2 calculated diagram(s): 1182.66–1374.5 K, x(Zr) 0.25–0.25	7	2
ZN3ZR_D023 phase:zn-zr:zn3zr-d023	Al3Zr · D0_23 · tI16 · I4/mmm (139)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–1182.99 K, x(Zr) 0.25–0.25	6	2
ZNZR_B2 phase:zn-zr:znzr-b2	CsCl · B2 · cP2 · Pm-3m (221)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–1380 K, x(Zr) 0.5–0.5	22	2
ZNZR2 phase:zn-zr:znzr2	CuZr2 · tI6 · I4/mmm (139)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 2 of 2 calculated diagram(s): 976.56–1025.38 K, x(Zr) 0.66667–0.66667	17	2

BCC_A2 (Zn–Zr)

Id: phase:zn-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 2 of 2 calculated diagram(s): 990.92–3178.55 K, x(Zr) 0.72038–1
Literature: 12 values (12 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:zn-zr:bcc-a2
paper: paper:10.1016/j.calphad.2005.12.006:bcc
tdb: tdb:ZnZr-06Arr-first.tdb:BCC_A2, tdb:ZnZr-06Arr-second.tdb:BCC_A2

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

ZnZr-06Arr-first.tdb: BCC_A2, type code %B, sha256 d8bfc9b911d493b6…

38: PHASE BCC_A2 %B 2 1 3 !
39: CONST BCC_A2 : ZN ZR% : VA : !

ZnZr-06Arr-second.tdb: BCC_A2, type code %B, sha256 223fd6e8657920e1…

43: PHASE BCC_A2 %B 2 1 3 !
44: CONST BCC_A2 : ZN ZR% : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2005.12.006 R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).
assessment that models this phase; reports values for this phase

FCC_A1 (Zn–Zr)

Id: phase:zn-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:zn-zr:fcc-a1
tdb: tdb:ZnZr-06Arr-first.tdb:FCC_A1, tdb:ZnZr-06Arr-second.tdb:FCC_A1

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

ZnZr-06Arr-first.tdb: FCC_A1, type code %A, sha256 d8bfc9b911d493b6…

33: PHASE FCC_A1 %A 2 1 1 !
34: CONST FCC_A1 : ZN ZR : VA : !

ZnZr-06Arr-second.tdb: FCC_A1, type code %A, sha256 223fd6e8657920e1…

38: PHASE FCC_A1 %A 2 1 1 !
39: CONST FCC_A1 : ZN ZR : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2005.12.006 R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).
assessment that models this phase

HCP_A3 (Zn–Zr)

Id: phase:zn-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): 300–1146.18 K, x(Zr) 0–1
Literature: 10 values (10 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:zn-zr:hcp-a3
paper: paper:10.1016/j.calphad.2005.12.006:hcp
tdb: tdb:ZnZr-06Arr-first.tdb:HCP_A3, tdb:ZnZr-06Arr-second.tdb:HCP_A3

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

ZnZr-06Arr-first.tdb: HCP_A3, type code %A, sha256 d8bfc9b911d493b6…

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

ZnZr-06Arr-second.tdb: HCP_A3, type code %A, sha256 223fd6e8657920e1…

48: PHASE HCP_A3 %A 2 1 0.5 !
49: CONST HCP_A3 : ZN ZR% : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2005.12.006 R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).
assessment that models this phase; reports values for this phase

LIQUID (Zn–Zr)

Id: phase:zn-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 692.67–4000 K, x(Zr) 0–1
Literature: 26 values (26 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:zn-zr:liquid
paper: paper:10.1016/j.calphad.2005.12.006:L, paper:10.1016/j.calphad.2005.12.006:liquid
tdb: tdb:ZnZr-06Arr-first.tdb:LIQUID, tdb:ZnZr-06Arr-second.tdb:LIQUID

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

ZnZr-06Arr-first.tdb: LIQUID, type code %, sha256 d8bfc9b911d493b6…

28: PHASE LIQUID:L % 1 1 !
29: CONST LIQUID:L : ZN ZR : !

ZnZr-06Arr-second.tdb: LIQUID, type code %, sha256 223fd6e8657920e1…

33: PHASE LIQUID:L % 1 1 !
34: CONST LIQUID:L : ZN ZN2ZR ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2005.12.006 R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).
assessment that models this phase; reports values for this phase

ZN22ZR (Zn–Zr)

Id: phase:zn-zr:zn22zr; status assigned
Structure: Zn22Zr · cF184 · Fd-3m (227); type st:zn22zr-cf184; 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_oqmd, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Zn 0.9565, Zr 0.0435
Stability: stable in 2 of 2 calculated diagram(s): 300–816.74 K, x(Zr) 0.04348–0.04348
Literature: 12 values (12 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:zn-zr:zn22zr
paper: paper:10.1016/j.calphad.2005.12.006:Zn22Zr
tdb: tdb:ZnZr-06Arr-first.tdb:ZN22ZR, tdb:ZnZr-06Arr-second.tdb:ZN22ZR

TDB models of ZN22ZR (2): PHASE and CONSTITUENT statements as written

ZnZr-06Arr-first.tdb: ZN22ZR, type code %, sha256 d8bfc9b911d493b6…

48: PHASE ZN22ZR % 2 22 1 !
49: CONST ZN22ZR : ZN : ZR : !

ZnZr-06Arr-second.tdb: ZN22ZR, type code %, sha256 223fd6e8657920e1…

53: PHASE ZN22ZR % 2 22 1 !
54: CONST ZN22ZR : ZN : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2005.12.006 R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).
assessment that models this phase; reports values for this phase

ZN2ZR_C15 (Zn–Zr)

Id: phase:zn-zr:zn2zr-c15; status assigned
Structure: Cu2Mg · C15 · cF24 · Fd-3m (227); type st:c15-cu2mg-cf24; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaacbx and oqmd-18188, space group 227
Stoichiometry: Zn 0.6667, Zr 0.3333
Stability: stable in 2 of 2 calculated diagram(s): 300–1456.88 K, x(Zr) 0.33333–0.33333
Literature: 18 values (18 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:zn-zr:zn2zr-c15
mp: mp:mp-aaaaacbx
oqmd: oqmd:oqmd-18188
paper: paper:10.1016/j.calphad.2005.12.006:Zn2Zr
tdb: tdb:ZnZr-06Arr-first.tdb:ZN2ZR_C15, tdb:ZnZr-06Arr-second.tdb:ZN2ZR_C15

TDB models of ZN2ZR_C15 (2): PHASE and CONSTITUENT statements as written

ZnZr-06Arr-first.tdb: ZN2ZR_C15, type code %, sha256 d8bfc9b911d493b6…

68: PHASE ZN2ZR_C15 % 2 2 1 !
69: CONST ZN2ZR_C15 : ZN : ZR : !

ZnZr-06Arr-second.tdb: ZN2ZR_C15, type code %, sha256 223fd6e8657920e1…

73: PHASE ZN2ZR_C15 % 2 2 1 !
74: CONST ZN2ZR_C15 : ZN : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2005.12.006 R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).
assessment that models this phase; reports values for this phase

ZN2ZR3 (Zn–Zr)

Id: phase:zn-zr:zn2zr3; status needs_review
No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_row_incomplete
Candidate (sgte_mmc2): (Zn2Zr3) — Hallstedt 2025 mmc2 row for ZN2ZR3: Zn2Zr3
Stoichiometry: Zn 0.4000, Zr 0.6000
Stability: stable in 2 of 2 calculated diagram(s): 1207.38–1308.38 K, x(Zr) 0.6–0.6
Literature: 3 values (3 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:zn-zr:zn2zr3
paper: paper:10.1016/j.calphad.2005.12.006:Zn2Zr3
tdb: tdb:ZnZr-06Arr-first.tdb:ZN2ZR3, tdb:ZnZr-06Arr-second.tdb:ZN2ZR3

TDB models of ZN2ZR3 (2): PHASE and CONSTITUENT statements as written

ZnZr-06Arr-first.tdb: ZN2ZR3, type code %, sha256 d8bfc9b911d493b6…

78: PHASE ZN2ZR3 % 2 2 3 !
79: CONST ZN2ZR3 : ZN : ZR : !

ZnZr-06Arr-second.tdb: ZN2ZR3, type code %, sha256 223fd6e8657920e1…

83: PHASE ZN2ZR3 % 2 2 3 !
84: CONST ZN2ZR3 : ZN : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2005.12.006 R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).
assessment that models this phase; reports values for this phase

ZN39ZR5 (Zn–Zr)

Id: phase:zn-zr:zn39zr5; status assigned
Structure: Zn39Zr5 · mC88 · C2/m (12); type st:zn39zr5-mc88; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: Zn 0.8864, Zr 0.1136
Stability: stable in 2 of 2 calculated diagram(s): 300–1021.03 K, x(Zr) 0.11364–0.11364
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:zn-zr:zn39zr5
mp: mp:mp-aaacqsdz
oqmd: oqmd:oqmd-685473
paper: paper:10.1016/j.calphad.2005.12.006:Zn39Zr5
tdb: tdb:ZnZr-06Arr-first.tdb:ZN39ZR5, tdb:ZnZr-06Arr-second.tdb:ZN39ZR5

TDB models of ZN39ZR5 (2): PHASE and CONSTITUENT statements as written

ZnZr-06Arr-first.tdb: ZN39ZR5, type code %, sha256 d8bfc9b911d493b6…

53: PHASE ZN39ZR5 % 2 39 5 !
54: CONST ZN39ZR5 : ZN : ZR : !

ZnZr-06Arr-second.tdb: ZN39ZR5, type code %, sha256 223fd6e8657920e1…

58: PHASE ZN39ZR5 % 2 39 5 !
59: CONST ZN39ZR5 : ZN : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2005.12.006 R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).
assessment that models this phase; reports values for this phase

ZN3ZR_HT (Zn–Zr)

Id: phase:zn-zr:zn3zr; 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): P6_3/mmc (194) — on-hull MP ZrZn3 at x(ZR)=0.2500
Candidate (dft_oqmd): P63/mmc (194) — on-hull OQMD Zn3 Zr1 at x(ZR)=0.2500
Candidate (literature_printed): (Zn3Zr-ht) · c** — printed with a label mapped to this phase
Candidate (sgte_mmc2): (Zn3Zr-ht) — Hallstedt 2025 mmc2 row for ZN3ZR_HT: Zn3Zr (high T)
Candidate (tdb_comment): — ZnZr-06Arr-first.tdb: 'Prototype ? (c**)'
Candidate (tdb_comment): — ZnZr-06Arr-second.tdb: 'Prototype ? (c**)'
Stoichiometry: Zn 0.7500, Zr 0.2500
Stability: stable in 2 of 2 calculated diagram(s): 1182.66–1374.5 K, x(Zr) 0.25–0.25
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:zn-zr:zn3zr
paper: paper:10.1016/j.calphad.2005.12.006:Zn3Zr h
tdb: tdb:ZnZr-06Arr-first.tdb:ZN3ZR_HT, tdb:ZnZr-06Arr-second.tdb:ZN3ZR_HT

TDB models of ZN3ZR_HT (2): PHASE and CONSTITUENT statements as written

ZnZr-06Arr-first.tdb: ZN3ZR_HT, type code %, sha256 d8bfc9b911d493b6…

63: PHASE ZN3ZR_HT % 2 3 1 !
64: CONST ZN3ZR_HT : ZN : ZR : !

ZnZr-06Arr-second.tdb: ZN3ZR_HT, type code %, sha256 223fd6e8657920e1…

68: PHASE ZN3ZR_HT % 2 3 1 !
69: CONST ZN3ZR_HT : ZN : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2005.12.006 R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).
assessment that models this phase; reports values for this phase

ZN3ZR_D023 (Zn–Zr)

Id: phase:zn-zr:zn3zr-d023; status assigned
Structure: Al3Zr · D0_23 · tI16 · I4/mmm (139); type st:d0-23-al3zr-ti16; tier A: standard phase name; confidence high
Stoichiometry: Zn 0.7500, Zr 0.2500
Stability: stable in 2 of 2 calculated diagram(s): 300–1182.99 K, x(Zr) 0.25–0.25
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:zn-zr:zn3zr-d023
paper: paper:10.1016/j.calphad.2005.12.006:Zn3Zr l
tdb: tdb:ZnZr-06Arr-first.tdb:ZN3ZR_D023, tdb:ZnZr-06Arr-second.tdb:ZN3ZR_D023

TDB models of ZN3ZR_D023 (2): PHASE and CONSTITUENT statements as written

ZnZr-06Arr-first.tdb: ZN3ZR_D023, type code %, sha256 d8bfc9b911d493b6…

58: PHASE ZN3ZR_D023 % 2 3 1 !
59: CONST ZN3ZR_D023 : ZN : ZR : !

ZnZr-06Arr-second.tdb: ZN3ZR_D023, type code %, sha256 223fd6e8657920e1…

63: PHASE ZN3ZR_D023 % 2 3 1 !
64: CONST ZN3ZR_D023 : ZN : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2005.12.006 R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).
assessment that models this phase; reports values for this phase

ZNZR_B2 (Zn–Zr)

Id: phase:zn-zr:znzr-b2; status assigned
Structure: CsCl · B2 · cP2 · Pm-3m (221); type st:b2-cscl-cp2; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaabglps and oqmd-116235, space group 221
Stoichiometry: Zn 0.5000, Zr 0.5000
Stability: stable in 2 of 2 calculated diagram(s): 300–1380 K, x(Zr) 0.5–0.5
Literature: 22 values (22 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:zn-zr:znzr-b2
mp: mp:mp-aaabglps
oqmd: oqmd:oqmd-116235
paper: paper:10.1016/j.calphad.2005.12.006:ZnZr
tdb: tdb:ZnZr-06Arr-first.tdb:ZNZR_B2, tdb:ZnZr-06Arr-second.tdb:ZNZR_B2

TDB models of ZNZR_B2 (2): PHASE and CONSTITUENT statements as written

ZnZr-06Arr-first.tdb: ZNZR_B2, type code %, sha256 d8bfc9b911d493b6…

73: PHASE ZNZR_B2 % 2 1 1 !
74: CONST ZNZR_B2 : ZN : ZR : !

ZnZr-06Arr-second.tdb: ZNZR_B2, type code %, sha256 223fd6e8657920e1…

78: PHASE ZNZR_B2 % 2 1 1 !
79: CONST ZNZR_B2 : ZN : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2005.12.006 R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).
assessment that models this phase; reports values for this phase

ZNZR2 (Zn–Zr)

Id: phase:zn-zr:znzr2; status assigned
Structure: CuZr2 · tI6 · I4/mmm (139); type st:cuzr2-ti6; 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: Zn 0.3333, Zr 0.6667
Stability: stable in 2 of 2 calculated diagram(s): 976.56–1025.38 K, x(Zr) 0.66667–0.66667
Literature: 17 values (17 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:zn-zr:znzr2
paper: paper:10.1016/j.calphad.2005.12.006:ZnZr2
tdb: tdb:ZnZr-06Arr-first.tdb:ZNZR2, tdb:ZnZr-06Arr-second.tdb:ZNZR2

TDB models of ZNZR2 (2): PHASE and CONSTITUENT statements as written

ZnZr-06Arr-first.tdb: ZNZR2, type code %, sha256 d8bfc9b911d493b6…

83: PHASE ZNZR2 % 2 1 2 !
84: CONST ZNZR2 : ZN : ZR : !

ZnZr-06Arr-second.tdb: ZNZR2, type code %, sha256 223fd6e8657920e1…

88: PHASE ZNZR2 % 2 1 2 !
89: CONST ZNZR2 : ZN : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2005.12.006 R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006).
assessment that models this phase; reports values for 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}
}