Ni–Th phases

12 phases (tier A 6, tier B 1, tier C 1, liquid 1, needs_review 3); 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 · Ni–Th system page · Markdown · field reference

Phases of the Ni–Th system (12)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:ni-th:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 301.12–3999.87 K, x(Th) 0.99969–1	0	1
FCC_A1 phase:ni-th:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1739.57 K, x(Th) 0–1	6	1
HCP_A3 phase:ni-th:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
LIQUID phase:ni-th:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 1280.93–4000 K, x(Th) 0–1	30	1
NI17TH2 phase:ni-th:ni17th2		needs_review	stable in 1 of 1 calculated diagram(s): 300–1620.62 K, x(Th) 0.09524–0.09524	0	1
NI2TH_C32 phase:ni-th:ni2th-c32	AlB2 · C32 · hP3 · P6/mmm (191)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1319.15 K, x(Th) 0.33333–0.33333	5	1
NI3TH7_D102 phase:ni-th:ni3th7-d102	Fe3Th7 · D10_2 · hP20 · P6_3mc (186)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1312.11 K, x(Th) 0.7–0.7	7	1
NI5TH_D2D phase:ni-th:ni5th-d2d	CaCu5 · D2_d · hP6 · P6/mmm (191)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1792.18 K, x(Th) 0.16667–0.16667	6	1
NI7TH2_ALPHA phase:ni-th:ni7th2-alpha		needs_review	stable in 1 of 1 calculated diagram(s): 300–1470.59 K, x(Th) 0.22222–0.22222	7	1
NI7TH2_BETA phase:ni-th:ni7th2-beta		needs_review	stable in 1 of 1 calculated diagram(s): 1470.59–1516.04 K, x(Th) 0.22222–0.22222	2	1
NI7TH4 phase:ni-th:ni7th4	Ni7Th4 · mC12 · C2/c (15)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–1345.65 K, x(Th) 0.36364–0.36364	6	1
NITH phase:ni-th:nith	AgSr · oP16 · Pnma (62)	tier B: DFT-supported (unique MP + OQMD match)	stable in 1 of 1 calculated diagram(s): 300–1462.8 K, x(Th) 0.5–0.5	7	1

BCC_A2 (Ni–Th)

Id: phase:ni-th: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): 301.12–3999.87 K, x(Th) 0.99969–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:ni-th:bcc-a2
tdb: tdb:NiTh-09Wan.tdb:BCC_A2

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

NiTh-09Wan.tdb: BCC_A2, type code %B, sha256 e7c08f09f82aa588…

35: PHASE BCC_A2 %B 2 1 3 !
36: CONST BCC_A2 : NI TH% : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2009.07.168 C.P. Wang, Y. He, H.L. Zhang, X.J. Liu, Thermodynamic assessments of the U–Ni and Th–Ni systems, Journal of Alloys and Compounds 487, 126-131 (2009).
assessment that models this phase

FCC_A1 (Ni–Th)

Id: phase:ni-th: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): 300–1739.57 K, x(Th) 0–1
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:ni-th:fcc-a1
paper: paper:10.1016/j.jallcom.2009.07.168:(Ni), paper:10.1016/j.jallcom.2009.07.168:(αTh)
tdb: tdb:NiTh-09Wan.tdb:FCC_A1

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

NiTh-09Wan.tdb: FCC_A1, type code %A, sha256 e7c08f09f82aa588…

30: PHASE FCC_A1 %A 2 1 1 !
31: CONST FCC_A1 : NI% TH% : VA : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jallcom.2009.07.168 C.P. Wang, Y. He, H.L. Zhang, X.J. Liu, Thermodynamic assessments of the U–Ni and Th–Ni systems, Journal of Alloys and Compounds 487, 126-131 (2009).
assessment that models this phase; reports values for this phase
doi:10.1007/bf02645711 H. Okamoto, T.B. Massalski, J. Phase Equilib. 12 (2) (1991) 148–168.
cited as the source of values for this phase
doi:10.1007/bf02881873 C. J. Santandrea, D. E. Peterson, The Ni−Th (Nickel-Thorium) system, Bulletin of Alloy Phase Diagrams 9, 487-490 (1988).
cited as the source of values for this phase

HCP_A3 (Ni–Th)

Id: phase:ni-th:hcp-a3; status assigned
Structure: Mg · A3 · hP2 · P6_3/mmc (194); type st:a3-mg-hp2; tier A: standard phase name; confidence high
Stoichiometry: Ni 1.0000
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:ni-th:hcp-a3
tdb: tdb:NiTh-09Wan.tdb:HCP_A3

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

NiTh-09Wan.tdb: HCP_A3, type code %A, sha256 e7c08f09f82aa588…

40: PHASE HCP_A3 %A 2 1 0.5 !
41: CONST HCP_A3 : NI : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2009.07.168 C.P. Wang, Y. He, H.L. Zhang, X.J. Liu, Thermodynamic assessments of the U–Ni and Th–Ni systems, Journal of Alloys and Compounds 487, 126-131 (2009).
assessment that models this phase

LIQUID (Ni–Th)

Id: phase:ni-th:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 1280.93–4000 K, x(Th) 0–1
Literature: 30 values (30 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ni-th:liquid
paper: paper:10.1016/j.jallcom.2009.07.168:L
tdb: tdb:NiTh-09Wan.tdb:LIQUID

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

NiTh-09Wan.tdb: LIQUID, type code %, sha256 e7c08f09f82aa588…

25: PHASE LIQUID:L % 1 1 !
26: CONST LIQUID:L : NI TH : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jallcom.2009.07.168 C.P. Wang, Y. He, H.L. Zhang, X.J. Liu, Thermodynamic assessments of the U–Ni and Th–Ni systems, Journal of Alloys and Compounds 487, 126-131 (2009).
assessment that models this phase; reports values for this phase
doi:10.1007/bf02645711 H. Okamoto, T.B. Massalski, J. Phase Equilib. 12 (2) (1991) 148–168.
cited as the source of values for this phase
doi:10.1007/bf02881873 C. J. Santandrea, D. E. Peterson, The Ni−Th (Nickel-Thorium) system, Bulletin of Alloy Phase Diagrams 9, 487-490 (1988).
cited as the source of values for this phase

NI17TH2 (Ni–Th)

Id: phase:ni-th:ni17th2; 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): Ni17Th2 · hP38 · P6_3/mmc (194) — Hallstedt 2025 mmc2 row for NI17TH2: Ni17Th2
Candidate (tdb_comment): Ni17Th2 · hP38 · P6_3/mmc — NiTh-09Wan.tdb: 'Prototype Ni17Th2 (hP38, P6_3/mmc)'
Stoichiometry: Ni 0.9048, Th 0.0952
Stability: stable in 1 of 1 calculated diagram(s): 300–1620.62 K, x(Th) 0.09524–0.09524
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:ni-th:ni17th2
tdb: tdb:NiTh-09Wan.tdb:NI17TH2

TDB models of NI17TH2 (1): PHASE and CONSTITUENT statements as written

NiTh-09Wan.tdb: NI17TH2, type code %, sha256 e7c08f09f82aa588…

45: PHASE NI17TH2 % 2 19 2 !
46: CONST NI17TH2 : NI : TH : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2009.07.168 C.P. Wang, Y. He, H.L. Zhang, X.J. Liu, Thermodynamic assessments of the U–Ni and Th–Ni systems, Journal of Alloys and Compounds 487, 126-131 (2009).
assessment that models this phase

NI2TH_C32 (Ni–Th)

Id: phase:ni-th:ni2th-c32; status assigned
Structure: AlB2 · C32 · hP3 · P6/mmm (191); type st:c32-alb2-hp3; tier A: standard phase name; confidence high
Stoichiometry: Ni 0.6667, Th 0.3333
Stability: stable in 1 of 1 calculated diagram(s): 300–1319.15 K, x(Th) 0.33333–0.33333
Literature: 5 values (5 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ni-th:ni2th-c32
paper: paper:10.1016/j.jallcom.2009.07.168:ThNi2
tdb: tdb:NiTh-09Wan.tdb:NI2TH_C32

TDB models of NI2TH_C32 (1): PHASE and CONSTITUENT statements as written

NiTh-09Wan.tdb: NI2TH_C32, type code %, sha256 e7c08f09f82aa588…

65: PHASE NI2TH_C32 % 2 2 1 !
66: CONST NI2TH_C32 : NI : TH : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jallcom.2009.07.168 C.P. Wang, Y. He, H.L. Zhang, X.J. Liu, Thermodynamic assessments of the U–Ni and Th–Ni systems, Journal of Alloys and Compounds 487, 126-131 (2009).
assessment that models this phase; reports values for this phase
doi:10.1007/bf02645711 H. Okamoto, T.B. Massalski, J. Phase Equilib. 12 (2) (1991) 148–168.
cited as the source of values for this phase
doi:10.1007/bf02881873 C. J. Santandrea, D. E. Peterson, The Ni−Th (Nickel-Thorium) system, Bulletin of Alloy Phase Diagrams 9, 487-490 (1988).
cited as the source of values for this phase

NI3TH7_D102 (Ni–Th)

Id: phase:ni-th:ni3th7-d102; status assigned
Structure: Fe3Th7 · D10_2 · hP20 · P6_3mc (186); type st:d10-2-fe3th7-hp20; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaabtoz and oqmd-17836, space group 186
Stoichiometry: Ni 0.3000, Th 0.7000
Stability: stable in 1 of 1 calculated diagram(s): 300–1312.11 K, x(Th) 0.7–0.7
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:ni-th:ni3th7-d102
mp: mp:mp-aaaabtoz
oqmd: oqmd:oqmd-17836
paper: paper:10.1016/j.jallcom.2009.07.168:Th7Ni3
tdb: tdb:NiTh-09Wan.tdb:NI3TH7_D102

TDB models of NI3TH7_D102 (1): PHASE and CONSTITUENT statements as written

NiTh-09Wan.tdb: NI3TH7_D102, type code %, sha256 e7c08f09f82aa588…

80: PHASE NI3TH7_D102 % 2 3 7 !
81: CONST NI3TH7_D102 : NI : TH : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jallcom.2009.07.168 C.P. Wang, Y. He, H.L. Zhang, X.J. Liu, Thermodynamic assessments of the U–Ni and Th–Ni systems, Journal of Alloys and Compounds 487, 126-131 (2009).
assessment that models this phase; reports values for this phase
doi:10.1007/bf02645711 H. Okamoto, T.B. Massalski, J. Phase Equilib. 12 (2) (1991) 148–168.
cited as the source of values for this phase
doi:10.1007/bf02881873 C. J. Santandrea, D. E. Peterson, The Ni−Th (Nickel-Thorium) system, Bulletin of Alloy Phase Diagrams 9, 487-490 (1988).
cited as the source of values for this phase

NI5TH_D2D (Ni–Th)

Id: phase:ni-th:ni5th-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-aaaaacih and oqmd-17837, space group 191
Stoichiometry: Ni 0.8333, Th 0.1667
Stability: stable in 1 of 1 calculated diagram(s): 300–1792.18 K, x(Th) 0.16667–0.16667
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:ni-th:ni5th-d2d
mp: mp:mp-aaaaacih
oqmd: oqmd:oqmd-17837
paper: paper:10.1016/j.jallcom.2009.07.168:ThNi5
tdb: tdb:NiTh-09Wan.tdb:NI5TH_D2D

TDB models of NI5TH_D2D (1): PHASE and CONSTITUENT statements as written

NiTh-09Wan.tdb: NI5TH_D2D, type code %, sha256 e7c08f09f82aa588…

50: PHASE NI5TH_D2D % 2 5 1 !
51: CONST NI5TH_D2D : NI : TH : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jallcom.2009.07.168 C.P. Wang, Y. He, H.L. Zhang, X.J. Liu, Thermodynamic assessments of the U–Ni and Th–Ni systems, Journal of Alloys and Compounds 487, 126-131 (2009).
assessment that models this phase; reports values for this phase
doi:10.1007/bf02645711 H. Okamoto, T.B. Massalski, J. Phase Equilib. 12 (2) (1991) 148–168.
cited as the source of values for this phase
doi:10.1007/bf02881873 C. J. Santandrea, D. E. Peterson, The Ni−Th (Nickel-Thorium) system, Bulletin of Alloy Phase Diagrams 9, 487-490 (1988).
cited as the source of values for this phase

NI7TH2_ALPHA (Ni–Th)

Id: phase:ni-th:ni7th2-alpha; status needs_review
No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition
Candidate (dft_mp): P6_3/mmc (194) — on-hull MP Th2Ni7 at x(TH)=0.2222
Candidate (dft_oqmd): R-3m (166) — on-hull OQMD Ni7 Th2 at x(TH)=0.2222
Candidate (sgte_mmc2): Ce2Ni7 · hP36 · P6_3/mmc (194) — Hallstedt 2025 mmc2 row for NI7TH2_ALPHA: Ni7Th2-alpha
Candidate (tdb_comment): Ce2Ni7 · hP36 · P6_3/mmc — NiTh-09Wan.tdb: 'Prototype Ce2Ni7 (hP36, P6_3/mmc)'
Stoichiometry: Ni 0.7778, Th 0.2222
Stability: stable in 1 of 1 calculated diagram(s): 300–1470.59 K, x(Th) 0.22222–0.22222
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:ni-th:ni7th2-alpha
paper: paper:10.1016/j.jallcom.2009.07.168:αTh2Ni7, paper:10.1016/j.jallcom.2009.07.168:αThNi
tdb: tdb:NiTh-09Wan.tdb:NI7TH2_ALPHA

TDB models of NI7TH2_ALPHA (1): PHASE and CONSTITUENT statements as written

NiTh-09Wan.tdb: NI7TH2_ALPHA, type code %, sha256 e7c08f09f82aa588…

55: PHASE NI7TH2_ALPHA % 2 7 2 !
56: CONST NI7TH2_ALPHA : NI : TH : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jallcom.2009.07.168 C.P. Wang, Y. He, H.L. Zhang, X.J. Liu, Thermodynamic assessments of the U–Ni and Th–Ni systems, Journal of Alloys and Compounds 487, 126-131 (2009).
assessment that models this phase; reports values for this phase
doi:10.1007/bf02645711 H. Okamoto, T.B. Massalski, J. Phase Equilib. 12 (2) (1991) 148–168.
cited as the source of values for this phase
doi:10.1007/bf02881873 C. J. Santandrea, D. E. Peterson, The Ni−Th (Nickel-Thorium) system, Bulletin of Alloy Phase Diagrams 9, 487-490 (1988).
cited as the source of values for this phase

NI7TH2_BETA (Ni–Th)

Id: phase:ni-th:ni7th2-beta; status needs_review
No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition
Candidate (dft_mp): P6_3/mmc (194) — on-hull MP Th2Ni7 at x(TH)=0.2222
Candidate (dft_oqmd): R-3m (166) — on-hull OQMD Ni7 Th2 at x(TH)=0.2222
Candidate (sgte_mmc2): Co7Gd2 · hR18 · R-3m (166) — Hallstedt 2025 mmc2 row for NI7TH2_BETA: Ni7Th2-beta
Candidate (tdb_comment): Co7Gd2 · hR18 · R-3m — NiTh-09Wan.tdb: 'Prototype Co7Gd2 (hR18, R-3m)'
Stoichiometry: Ni 0.7778, Th 0.2222
Stability: stable in 1 of 1 calculated diagram(s): 1470.59–1516.04 K, x(Th) 0.22222–0.22222
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ni-th:ni7th2-beta
paper: paper:10.1016/j.jallcom.2009.07.168:Th2Ni7
tdb: tdb:NiTh-09Wan.tdb:NI7TH2_BETA

TDB models of NI7TH2_BETA (1): PHASE and CONSTITUENT statements as written

NiTh-09Wan.tdb: NI7TH2_BETA, type code %, sha256 e7c08f09f82aa588…

60: PHASE NI7TH2_BETA % 2 7 2 !
61: CONST NI7TH2_BETA : NI : TH : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2009.07.168 C.P. Wang, Y. He, H.L. Zhang, X.J. Liu, Thermodynamic assessments of the U–Ni and Th–Ni systems, Journal of Alloys and Compounds 487, 126-131 (2009).
assessment that models this phase; reports values for this phase
doi:10.1007/bf02645711 H. Okamoto, T.B. Massalski, J. Phase Equilib. 12 (2) (1991) 148–168.
cited as the source of values for this phase

NI7TH4 (Ni–Th)

Id: phase:ni-th:ni7th4; status assigned
Structure: Ni7Th4 · mC12 · C2/c (15); type st:ni7th4-mc12; 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: Ni 0.6364, Th 0.3636
Stability: stable in 1 of 1 calculated diagram(s): 300–1345.65 K, x(Th) 0.36364–0.36364
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:ni-th:ni7th4
paper: paper:10.1016/j.jallcom.2009.07.168:Th4Ni7
tdb: tdb:NiTh-09Wan.tdb:NI7TH4

TDB models of NI7TH4 (1): PHASE and CONSTITUENT statements as written

NiTh-09Wan.tdb: NI7TH4, type code %, sha256 e7c08f09f82aa588…

70: PHASE NI7TH4 % 2 7 4 !
71: CONST NI7TH4 : NI : TH : !

Example references (2 of 2; assessments first):

doi:10.1016/j.jallcom.2009.07.168 C.P. Wang, Y. He, H.L. Zhang, X.J. Liu, Thermodynamic assessments of the U–Ni and Th–Ni systems, Journal of Alloys and Compounds 487, 126-131 (2009).
assessment that models this phase; reports values for this phase
doi:10.1007/bf02645711 H. Okamoto, T.B. Massalski, J. Phase Equilib. 12 (2) (1991) 148–168.
cited as the source of values for this phase

NITH (Ni–Th)

Id: phase:ni-th:nith; status assigned
Structure: AgSr · oP16 · Pnma (62); type st:agsr-op16; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: Ni 0.5000, Th 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 300–1462.8 K, x(Th) 0.5–0.5
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:ni-th:nith
mp: mp:mp-aaabjmvs
oqmd: oqmd:oqmd-17835
paper: paper:10.1016/j.jallcom.2009.07.168:ThNi
tdb: tdb:NiTh-09Wan.tdb:NITH

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

NiTh-09Wan.tdb: NITH, type code %, sha256 e7c08f09f82aa588…

75: PHASE NITH % 2 1 1 !
76: CONST NITH : NI : TH : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jallcom.2009.07.168 C.P. Wang, Y. He, H.L. Zhang, X.J. Liu, Thermodynamic assessments of the U–Ni and Th–Ni systems, Journal of Alloys and Compounds 487, 126-131 (2009).
assessment that models this phase; reports values for this phase
doi:10.1007/bf02645711 H. Okamoto, T.B. Massalski, J. Phase Equilib. 12 (2) (1991) 148–168.
cited as the source of values for this phase
doi:10.1007/bf02881873 C. J. Santandrea, D. E. Peterson, The Ni−Th (Nickel-Thorium) system, Bulletin of Alloy Phase Diagrams 9, 487-490 (1988).
cited as the source of 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}
}