Np–Zr phases

8 phases (tier A 5, tier C 2, liquid 1); 7 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 · Np–Zr system page · Markdown · field reference

Phases of the Np–Zr system (8)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
TETRAG_AD phase:np-zr:ad-tetrag	beta-Np · A_d · tP4 · P4/nmm (129)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 551.48–880.13 K, x(Zr) 0–0.02097	6	4
BCC_A2 phase:np-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 695.13–3999.1 K, x(Zr) 0–1	4	4
UZR2_DELTA phase:np-zr:delta-uzr2	Hg2U · hP3 · P6/mmm (191)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 4 of 4 calculated diagram(s): 300–4000 K, x(Zr) 0.33334–0.83881	8	4
FCC_A1 phase:np-zr:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 4 calculated diagram(s)	0	4
HCP_A3 phase:np-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–2123.99 K, x(Zr) 0.93672–1	6	4
LIQUID phase:np-zr:liquid	liquid	liquid	stable in 4 of 4 calculated diagram(s): 881.96–4000 K, x(Zr) 0–1	2	4
NP4ZR_THETA phase:np-zr:np4zr-theta	Pu4Zr · tP80 · P4/ncc (130)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 4 of 4 calculated diagram(s): 300–600 K, x(Zr) 0.2–0.2	4	4
ORTHO_AC phase:np-zr:ortho-ac	alpha-Np · A_c · oP8 · Pnma (62)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–562.48 K, x(Zr) 0–0.00585	2	4

TETRAG_AD (Np–Zr)

Id: phase:np-zr:ad-tetrag; status assigned
Structure: beta-Np · A_d · tP4 · P4/nmm (129); type st:a-d-beta-np-tp4; tier A: standard phase name; confidence high
Stability: stable in 4 of 4 calculated diagram(s): 551.48–880.13 K, x(Zr) 0–0.02097
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:np-zr:ad-tetrag, corpus:phase:np-zr:tetrag-ad
paper: paper:10.1016/j.jnucmat.2010.10.085:β-Np
tdb: tdb:NpZr-10Kur.tdb:TETRAG_AD, tdb:NpZr-11Baj.tdb:TETRAG_AD, tdb:NpZr-14Xio.tdb:TETRAG_AD, tdb:NpZr-18Xie.tdb:TETRAG_AD

TDB models of TETRAG_AD (4): PHASE and CONSTITUENT statements as written

NpZr-10Kur.tdb: TETRAG_AD, type code %, sha256 c70b656655da30f9…

50: PHASE TETRAG_AD % 1 1 !
51: CONST TETRAG_AD : NP% ZR : !

NpZr-11Baj.tdb: TETRAG_AD, type code %, sha256 ce3d595af559b9dc…

48: PHASE TETRAG_AD % 1 1 !
49: CONST TETRAG_AD : NP% ZR : !

NpZr-14Xio.tdb: TETRAG_AD, type code %, sha256 a50b3a238908cb6b…

48: PHASE TETRAG_AD % 1 1 !
49: CONST TETRAG_AD : NP% ZR : !

NpZr-18Xie.tdb: TETRAG_AD, type code %, sha256 df1afba7ad73bcfc…

52: PHASE TETRAG_AD % 1 1 !
53: CONST TETRAG_AD : NP% ZR : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jnucmat.2010.10.085 Saurabh Bajaj, Andres Garay, Alexander Landa, Per Söderlind, Patrice Turchi, Raymundo Arróyave, Thermodynamic study of the Np–Zr system, Journal of Nuclear Materials 409, 1-8 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/j.commatsci.2017.11.042 Wei Xie, Dane Morgan, CALPHAD modeling and ab initio calculations of the Np-U-Zr system, Computational Materials Science 143, 505-514 (2018).
assessment that models this phase
doi:10.1016/j.jnucmat.2014.06.023 Wei Xiong, Wei Xie, Dane Morgan, Thermodynamic evaluation of the Np–Zr system using CALPHAD and ab initio methods, Journal of Nuclear Materials 452, 569-577 (2014).
assessment that models this phase

BCC_A2 (Np–Zr)

Id: phase:np-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 4 of 4 calculated diagram(s): 695.13–3999.1 K, x(Zr) 0–1
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:np-zr:bcc-a2
paper: paper:10.1016/j.jnucmat.2010.10.085:β-Zr
tdb: tdb:NpZr-10Kur.tdb:BCC_A2, tdb:NpZr-11Baj.tdb:BCC_A2, tdb:NpZr-14Xio.tdb:BCC_A2, tdb:NpZr-18Xie.tdb:BCC_A2

TDB models of BCC_A2 (4): PHASE and CONSTITUENT statements as written

NpZr-10Kur.tdb: BCC_A2, type code %B, sha256 c70b656655da30f9…

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

NpZr-11Baj.tdb: BCC_A2, type code %B, sha256 ce3d595af559b9dc…

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

NpZr-14Xio.tdb: BCC_A2, type code %B, sha256 a50b3a238908cb6b…

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

NpZr-18Xie.tdb: BCC_A2, type code %B, sha256 df1afba7ad73bcfc…

37: PHASE BCC_A2 %B 2 1 3 !
38: CONST BCC_A2 : NP% ZR% : VA : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jnucmat.2010.10.085 Saurabh Bajaj, Andres Garay, Alexander Landa, Per Söderlind, Patrice Turchi, Raymundo Arróyave, Thermodynamic study of the Np–Zr system, Journal of Nuclear Materials 409, 1-8 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/j.commatsci.2017.11.042 Wei Xie, Dane Morgan, CALPHAD modeling and ab initio calculations of the Np-U-Zr system, Computational Materials Science 143, 505-514 (2018).
assessment that models this phase
doi:10.1016/j.jnucmat.2014.06.023 Wei Xiong, Wei Xie, Dane Morgan, Thermodynamic evaluation of the Np–Zr system using CALPHAD and ab initio methods, Journal of Nuclear Materials 452, 569-577 (2014).
assessment that models this phase

UZR2_DELTA (Np–Zr)

Id: phase:np-zr:delta-uzr2; status assigned
Structure: Hg2U · hP3 · P6/mmm (191); type st:hg2u-hp3; 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 (name_has_descriptive_tokens:UZR2, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stability: stable in 4 of 4 calculated diagram(s): 300–4000 K, x(Zr) 0.33334–0.83881
Literature: 8 values (8 accepted) from 1 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:np-zr:delta-uzr2, corpus:phase:np-zr:uzr2-delta
paper: paper:10.1016/j.jnucmat.2010.10.085:δ-NpZr2
tdb: tdb:NpZr-10Kur.tdb:UZR2_DELTA, tdb:NpZr-11Baj.tdb:UZR2_DELTA, tdb:NpZr-14Xio.tdb:UZR2_DELTA, tdb:NpZr-18Xie.tdb:UZR2_DELTA

TDB models of UZR2_DELTA (4): PHASE and CONSTITUENT statements as written

NpZr-10Kur.tdb: UZR2_DELTA, type code %, sha256 c70b656655da30f9…

61: PHASE UZR2_DELTA % 2 1 2 !
62: CONST UZR2_DELTA : NP% ZR : NP ZR% : !

NpZr-11Baj.tdb: UZR2_DELTA, type code %, sha256 ce3d595af559b9dc…

59: PHASE UZR2_DELTA % 2 1 2 !
60: CONST UZR2_DELTA : ZR : NP ZR : !

NpZr-14Xio.tdb: UZR2_DELTA, type code %, sha256 a50b3a238908cb6b…

59: PHASE UZR2_DELTA % 2 1 2 !
60: CONST UZR2_DELTA : ZR : NP ZR : !

NpZr-18Xie.tdb: UZR2_DELTA, type code %, sha256 df1afba7ad73bcfc…

63: PHASE UZR2_DELTA % 2 1 2 !
64: CONST UZR2_DELTA : ZR : NP ZR : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jnucmat.2010.10.085 Saurabh Bajaj, Andres Garay, Alexander Landa, Per Söderlind, Patrice Turchi, Raymundo Arróyave, Thermodynamic study of the Np–Zr system, Journal of Nuclear Materials 409, 1-8 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/j.commatsci.2017.11.042 Wei Xie, Dane Morgan, CALPHAD modeling and ab initio calculations of the Np-U-Zr system, Computational Materials Science 143, 505-514 (2018).
assessment that models this phase
doi:10.1016/j.jnucmat.2014.06.023 Wei Xiong, Wei Xie, Dane Morgan, Thermodynamic evaluation of the Np–Zr system using CALPHAD and ab initio methods, Journal of Nuclear Materials 452, 569-577 (2014).
assessment that models this phase

FCC_A1 (Np–Zr)

Id: phase:np-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 4 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:np-zr:fcc-a1
tdb: tdb:NpZr-10Kur.tdb:FCC_A1, tdb:NpZr-11Baj.tdb:FCC_A1, tdb:NpZr-14Xio.tdb:FCC_A1, tdb:NpZr-18Xie.tdb:FCC_A1

TDB models of FCC_A1 (4): PHASE and CONSTITUENT statements as written

NpZr-10Kur.tdb: FCC_A1, type code %A, sha256 c70b656655da30f9…

30: PHASE FCC_A1 %A 2 1 1 !
31: CONST FCC_A1 : NP ZR : VA : !

NpZr-11Baj.tdb: FCC_A1, type code %A, sha256 ce3d595af559b9dc…

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

NpZr-14Xio.tdb: FCC_A1, type code %A, sha256 a50b3a238908cb6b…

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

NpZr-18Xie.tdb: FCC_A1, type code %A, sha256 df1afba7ad73bcfc…

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

Example references (3 of 3; assessments first):

doi:10.1016/j.commatsci.2017.11.042 Wei Xie, Dane Morgan, CALPHAD modeling and ab initio calculations of the Np-U-Zr system, Computational Materials Science 143, 505-514 (2018).
assessment that models this phase
doi:10.1016/j.jnucmat.2010.10.085 Saurabh Bajaj, Andres Garay, Alexander Landa, Per Söderlind, Patrice Turchi, Raymundo Arróyave, Thermodynamic study of the Np–Zr system, Journal of Nuclear Materials 409, 1-8 (2011).
assessment that models this phase
doi:10.1016/j.jnucmat.2014.06.023 Wei Xiong, Wei Xie, Dane Morgan, Thermodynamic evaluation of the Np–Zr system using CALPHAD and ab initio methods, Journal of Nuclear Materials 452, 569-577 (2014).
assessment that models this phase

HCP_A3 (Np–Zr)

Id: phase:np-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 4 of 4 calculated diagram(s): 300–2123.99 K, x(Zr) 0.93672–1
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:np-zr:hcp-a3
paper: paper:10.1016/j.jnucmat.2010.10.085:α-Zr
tdb: tdb:NpZr-10Kur.tdb:HCP_A3, tdb:NpZr-11Baj.tdb:HCP_A3, tdb:NpZr-14Xio.tdb:HCP_A3, tdb:NpZr-18Xie.tdb:HCP_A3

TDB models of HCP_A3 (4): PHASE and CONSTITUENT statements as written

NpZr-10Kur.tdb: HCP_A3, type code %A, sha256 c70b656655da30f9…

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

NpZr-11Baj.tdb: HCP_A3, type code %A, sha256 ce3d595af559b9dc…

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

NpZr-14Xio.tdb: HCP_A3, type code %A, sha256 a50b3a238908cb6b…

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

NpZr-18Xie.tdb: HCP_A3, type code %A, sha256 df1afba7ad73bcfc…

42: PHASE HCP_A3 %A 2 1 0.5 !
43: CONST HCP_A3 : NP ZR% : VA : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jnucmat.2010.10.085 Saurabh Bajaj, Andres Garay, Alexander Landa, Per Söderlind, Patrice Turchi, Raymundo Arróyave, Thermodynamic study of the Np–Zr system, Journal of Nuclear Materials 409, 1-8 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/j.commatsci.2017.11.042 Wei Xie, Dane Morgan, CALPHAD modeling and ab initio calculations of the Np-U-Zr system, Computational Materials Science 143, 505-514 (2018).
assessment that models this phase
doi:10.1016/j.jnucmat.2014.06.023 Wei Xiong, Wei Xie, Dane Morgan, Thermodynamic evaluation of the Np–Zr system using CALPHAD and ab initio methods, Journal of Nuclear Materials 452, 569-577 (2014).
assessment that models this phase

LIQUID (Np–Zr)

Id: phase:np-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 4 of 4 calculated diagram(s): 881.96–4000 K, x(Zr) 0–1
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:np-zr:liquid
paper: paper:10.1016/j.jnucmat.2010.10.085:L
tdb: tdb:NpZr-10Kur.tdb:LIQUID, tdb:NpZr-11Baj.tdb:LIQUID, tdb:NpZr-14Xio.tdb:LIQUID, tdb:NpZr-18Xie.tdb:LIQUID

TDB models of LIQUID (4): PHASE and CONSTITUENT statements as written

NpZr-10Kur.tdb: LIQUID, type code %, sha256 c70b656655da30f9…

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

NpZr-11Baj.tdb: LIQUID, type code %, sha256 ce3d595af559b9dc…

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

NpZr-14Xio.tdb: LIQUID, type code %, sha256 a50b3a238908cb6b…

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

NpZr-18Xie.tdb: LIQUID, type code %, sha256 df1afba7ad73bcfc…

27: PHASE LIQUID:L % 1 1 !
28: CONST LIQUID:L : NP ZR : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jnucmat.2010.10.085 Saurabh Bajaj, Andres Garay, Alexander Landa, Per Söderlind, Patrice Turchi, Raymundo Arróyave, Thermodynamic study of the Np–Zr system, Journal of Nuclear Materials 409, 1-8 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/j.commatsci.2017.11.042 Wei Xie, Dane Morgan, CALPHAD modeling and ab initio calculations of the Np-U-Zr system, Computational Materials Science 143, 505-514 (2018).
assessment that models this phase
doi:10.1016/j.jnucmat.2014.06.023 Wei Xiong, Wei Xie, Dane Morgan, Thermodynamic evaluation of the Np–Zr system using CALPHAD and ab initio methods, Journal of Nuclear Materials 452, 569-577 (2014).
assessment that models this phase

NP4ZR_THETA (Np–Zr)

Id: phase:np-zr:np4zr-theta; status assigned
Structure: Pu4Zr · tP80 · P4/ncc (130); type st:pu4zr-tp80; 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: Np 0.8000, Zr 0.2000
Stability: stable in 4 of 4 calculated diagram(s): 300–600 K, x(Zr) 0.2–0.2
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:np-zr:np4zr-theta
paper: paper:10.1016/j.jnucmat.2010.10.085:θ-Np4Zr
tdb: tdb:NpZr-10Kur.tdb:NP4ZR_THETA, tdb:NpZr-11Baj.tdb:NP4ZR_THETA, tdb:NpZr-14Xio.tdb:NP4ZR_THETA, tdb:NpZr-18Xie.tdb:NP4ZR_THETA

TDB models of NP4ZR_THETA (4): PHASE and CONSTITUENT statements as written

NpZr-10Kur.tdb: NP4ZR_THETA, type code %, sha256 c70b656655da30f9…

55: PHASE NP4ZR_THETA % 2 4 1 !
56: CONST NP4ZR_THETA : NP : ZR : !

NpZr-11Baj.tdb: NP4ZR_THETA, type code %, sha256 ce3d595af559b9dc…

53: PHASE NP4ZR_THETA % 2 4 1 !
54: CONST NP4ZR_THETA : NP : ZR : !

NpZr-14Xio.tdb: NP4ZR_THETA, type code %, sha256 a50b3a238908cb6b…

53: PHASE NP4ZR_THETA % 2 4 1 !
54: CONST NP4ZR_THETA : NP : ZR : !

NpZr-18Xie.tdb: NP4ZR_THETA, type code %, sha256 df1afba7ad73bcfc…

57: PHASE NP4ZR_THETA % 2 4 1 !
58: CONST NP4ZR_THETA : NP : ZR : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jnucmat.2010.10.085 Saurabh Bajaj, Andres Garay, Alexander Landa, Per Söderlind, Patrice Turchi, Raymundo Arróyave, Thermodynamic study of the Np–Zr system, Journal of Nuclear Materials 409, 1-8 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/j.commatsci.2017.11.042 Wei Xie, Dane Morgan, CALPHAD modeling and ab initio calculations of the Np-U-Zr system, Computational Materials Science 143, 505-514 (2018).
assessment that models this phase
doi:10.1016/j.jnucmat.2014.06.023 Wei Xiong, Wei Xie, Dane Morgan, Thermodynamic evaluation of the Np–Zr system using CALPHAD and ab initio methods, Journal of Nuclear Materials 452, 569-577 (2014).
assessment that models this phase

ORTHO_AC (Np–Zr)

Id: phase:np-zr:ortho-ac; status assigned
Structure: alpha-Np · A_c · oP8 · Pnma (62); type st:a-c-alpha-np-op8; tier A: standard phase name; confidence high
Stability: stable in 4 of 4 calculated diagram(s): 300–562.48 K, x(Zr) 0–0.00585
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:np-zr:ortho-ac
paper: paper:10.1016/j.jnucmat.2010.10.085:α-Np
tdb: tdb:NpZr-10Kur.tdb:ORTHO_AC, tdb:NpZr-11Baj.tdb:ORTHO_AC, tdb:NpZr-14Xio.tdb:ORTHO_AC, tdb:NpZr-18Xie.tdb:ORTHO_AC

TDB models of ORTHO_AC (4): PHASE and CONSTITUENT statements as written

NpZr-10Kur.tdb: ORTHO_AC, type code %, sha256 c70b656655da30f9…

45: PHASE ORTHO_AC % 1 1 !
46: CONST ORTHO_AC : NP% ZR : !

NpZr-11Baj.tdb: ORTHO_AC, type code %, sha256 ce3d595af559b9dc…

43: PHASE ORTHO_AC % 1 1 !
44: CONST ORTHO_AC : NP% ZR : !

NpZr-14Xio.tdb: ORTHO_AC, type code %, sha256 a50b3a238908cb6b…

43: PHASE ORTHO_AC % 1 1 !
44: CONST ORTHO_AC : NP% ZR : !

NpZr-18Xie.tdb: ORTHO_AC, type code %, sha256 df1afba7ad73bcfc…

47: PHASE ORTHO_AC % 1 1 !
48: CONST ORTHO_AC : NP% ZR : !

Example references (3 of 3; assessments first):

doi:10.1016/j.jnucmat.2010.10.085 Saurabh Bajaj, Andres Garay, Alexander Landa, Per Söderlind, Patrice Turchi, Raymundo Arróyave, Thermodynamic study of the Np–Zr system, Journal of Nuclear Materials 409, 1-8 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/j.commatsci.2017.11.042 Wei Xie, Dane Morgan, CALPHAD modeling and ab initio calculations of the Np-U-Zr system, Computational Materials Science 143, 505-514 (2018).
assessment that models this phase
doi:10.1016/j.jnucmat.2014.06.023 Wei Xiong, Wei Xie, Dane Morgan, Thermodynamic evaluation of the Np–Zr system using CALPHAD and ab initio methods, Journal of Nuclear Materials 452, 569-577 (2014).
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}
}