Mo–Zr phases

7 phases (tier A 6, liquid 1); 4 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 · Mo–Zr system page · Markdown · field reference

Phases of the Mo–Zr system (7)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:mo-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–3999.1 K, x(Zr) 0–1	40	4
C14_LAVES phase:mo-zr:c14-laves	MgZn2 · C14 · hP12 · P6_3/mmc (194)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
C15_LAVES phase:mo-zr:c15-laves	Cu2Mg · C15 · cF24 · Fd-3m (227)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–2194.21 K, x(Zr) 0.33306–0.63	41	4
C36_LAVES phase:mo-zr:c36-laves	MgNi2 · C36 · hP24 · P6_3/mmc (194)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
FCC_A1 phase:mo-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:mo-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–3998.87 K, x(Zr) 0.99686–1	11	4
LIQUID phase:mo-zr:liquid	liquid	liquid	stable in 4 of 4 calculated diagram(s): 1824.95–4000 K, x(Zr) 0–1	29	4

BCC_A2 (Mo–Zr)

Id: phase:mo-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): 300–3999.1 K, x(Zr) 0–1
Literature: 40 values (40 accepted) from 2 papers
Interactive: phase registry entry

Names (9): corpus: corpus:phase:mo-zr:bcc-a2
paper: paper:10.1016/j.calphad.2003.09.003:Mobcc, paper:10.1016/j.calphad.2003.09.003:Zrbcc, paper:10.1361/1054971023604242:Mo, paper:10.1361/1054971023604242:bcc-Zr
tdb: tdb:MoZr-02Zin.tdb:BCC_A2, tdb:MoZr-03Jer-LB.tdb:BCC_A2, tdb:MoZr-20Jia.tdb:BCC_A2, tdb:MoZr-20Zha.tdb:BCC_A2

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

MoZr-02Zin.tdb: BCC_A2, type code %B, sha256 ee25c91ae357c469…

34: PHASE BCC_A2 %B 2 1 3 !
35: CONST BCC_A2 : MO ZR : VA : !

MoZr-03Jer-LB.tdb: BCC_A2, type code %B, sha256 cc90f5904fa89fd4…

31: PHASE BCC_A2 %B 2 1 3 !
32: CONST BCC_A2 : MO ZR : VA : !

MoZr-20Jia.tdb: BCC_A2, type code %B, sha256 3010bc0a3e13c7e8…

31: PHASE BCC_A2 %B 2 1 3 !
32: CONST BCC_A2 : MO ZR : VA : !

MoZr-20Zha.tdb: BCC_A2, type code %B, sha256 0ab607d182d6f845…

31: PHASE BCC_A2 %B 2 1 3 !
32: CONST BCC_A2 : MO ZR : VA : !

Example references (5 of 5; assessments first):

doi:10.1016/j.calphad.2003.09.003 Rosa Jerlerud Pérez, Bo Sundman, Thermodynamic assessment of the Mo–Zr binary phase diagram, Calphad 27, 253-262 (2003).
assessment that models this phase; reports values for this phase
doi:10.1361/1054971023604242 M. Zinkevich, N. Mattern, Thermodynamic assessment of the Mo-Zr system, JPE 23, 156-162 (2002).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1016/j.calphad.2020.101766 R. Zhao, J. Wang, H. Yuan, B. Hu, Y. Du, Z. Tan, Calphad, 69, 101766(2020).
assessment that models this phase
doi:10.1016/j.mtla.2020.100701 Chao Jiang, Robert D. Mariani, Cynthia A. Adkins, Ab initio investigation and thermodynamic modeling of the Mo–Ti–Zr system, Materialia 10, 100701 (2020).
assessment that models this phase
doi:10.1007/bf02661635 S. P. Garg, R. J. Ackermann, The high temperature phase diagrams for zirconium-molybdenum and hafnium-molybdenum, Metall Trans A 8, 239-244 (1977).
cited as the source of values for this phase

C14_LAVES (Mo–Zr)

Id: phase:mo-zr:c14-laves; status assigned
Structure: MgZn2 · C14 · hP12 · P6_3/mmc (194); type st:c14-mgzn2-hp12; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in MoZr-20Zha.tdb also describes the disordered state
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:mo-zr:c14-laves
tdb: tdb:MoZr-20Zha.tdb:C14_LAVES

TDB models of C14_LAVES (1): PHASE and CONSTITUENT statements as written

MoZr-20Zha.tdb: C14_LAVES, type code %, sha256 0ab607d182d6f845…

41: PHASE C14_LAVES % 2 2 1 !
42: CONST C14_LAVES : MO% ZR : MO ZR% : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2020.101766 R. Zhao, J. Wang, H. Yuan, B. Hu, Y. Du, Z. Tan, Calphad, 69, 101766(2020).
assessment that models this phase

C15_LAVES (Mo–Zr)

Id: phase:mo-zr:c15-laves; status assigned
Structure: Cu2Mg · C15 · cF24 · Fd-3m (227); type st:c15-cu2mg-cf24; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in MoZr-02Zin.tdb also describes the disordered state
Caveat: partitioned order/disorder model in MoZr-03Jer-LB.tdb also describes the disordered state
Caveat: partitioned order/disorder model in MoZr-20Jia.tdb also describes the disordered state
Caveat: partitioned order/disorder model in MoZr-20Zha.tdb also describes the disordered state
Stability: stable in 4 of 4 calculated diagram(s): 300–2194.21 K, x(Zr) 0.33306–0.63
Literature: 41 values (41 accepted) from 2 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:mo-zr:c15-laves
paper: paper:10.1016/j.calphad.2003.09.003:Mo2Zr, paper:10.1016/j.calphad.2003.09.003:Mo2Zr (Laves_c15), paper:10.1361/1054971023604242:Mo2Zr
tdb: tdb:MoZr-02Zin.tdb:C15_LAVES, tdb:MoZr-03Jer-LB.tdb:C15_LAVES, tdb:MoZr-20Jia.tdb:C15_LAVES, tdb:MoZr-20Zha.tdb:C15_LAVES

TDB models of C15_LAVES (4): PHASE and CONSTITUENT statements as written

MoZr-02Zin.tdb: C15_LAVES, type code %, sha256 ee25c91ae357c469…

44: PHASE C15_LAVES % 2 2 1 !
45: CONST C15_LAVES : MO% ZR : MO ZR% : !

MoZr-03Jer-LB.tdb: C15_LAVES, type code %, sha256 cc90f5904fa89fd4…

41: PHASE C15_LAVES % 2 2 1 !
42: CONST C15_LAVES : MO% ZR : MO ZR% : !

MoZr-20Jia.tdb: C15_LAVES, type code %, sha256 3010bc0a3e13c7e8…

41: PHASE C15_LAVES % 2 2 1 !
42: CONST C15_LAVES : MO% ZR : MO ZR% : !

MoZr-20Zha.tdb: C15_LAVES, type code %, sha256 0ab607d182d6f845…

46: PHASE C15_LAVES % 2 2 1 !
47: CONST C15_LAVES : MO% ZR : MO ZR% : !

Example references (5 of 5; assessments first):

doi:10.1016/j.calphad.2003.09.003 Rosa Jerlerud Pérez, Bo Sundman, Thermodynamic assessment of the Mo–Zr binary phase diagram, Calphad 27, 253-262 (2003).
assessment that models this phase; reports values for this phase
doi:10.1361/1054971023604242 M. Zinkevich, N. Mattern, Thermodynamic assessment of the Mo-Zr system, JPE 23, 156-162 (2002).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1016/j.calphad.2020.101766 R. Zhao, J. Wang, H. Yuan, B. Hu, Y. Du, Z. Tan, Calphad, 69, 101766(2020).
assessment that models this phase
doi:10.1016/j.mtla.2020.100701 Chao Jiang, Robert D. Mariani, Cynthia A. Adkins, Ab initio investigation and thermodynamic modeling of the Mo–Ti–Zr system, Materialia 10, 100701 (2020).
assessment that models this phase
doi:10.1007/bf02661635 S. P. Garg, R. J. Ackermann, The high temperature phase diagrams for zirconium-molybdenum and hafnium-molybdenum, Metall Trans A 8, 239-244 (1977).
cited as the source of values for this phase

C36_LAVES (Mo–Zr)

Id: phase:mo-zr:c36-laves; status assigned
Structure: MgNi2 · C36 · hP24 · P6_3/mmc (194); type st:c36-mgni2-hp24; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in MoZr-20Zha.tdb also describes the disordered state
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:mo-zr:c36-laves
tdb: tdb:MoZr-20Zha.tdb:C36_LAVES

TDB models of C36_LAVES (1): PHASE and CONSTITUENT statements as written

MoZr-20Zha.tdb: C36_LAVES, type code %, sha256 0ab607d182d6f845…

51: PHASE C36_LAVES % 2 2 1 !
52: CONST C36_LAVES : MO% ZR : MO ZR% : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2020.101766 R. Zhao, J. Wang, H. Yuan, B. Hu, Y. Du, Z. Tan, Calphad, 69, 101766(2020).
assessment that models this phase

FCC_A1 (Mo–Zr)

Id: phase:mo-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:mo-zr:fcc-a1
tdb: tdb:MoZr-02Zin.tdb:FCC_A1, tdb:MoZr-03Jer-LB.tdb:FCC_A1, tdb:MoZr-20Jia.tdb:FCC_A1, tdb:MoZr-20Zha.tdb:FCC_A1

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

MoZr-02Zin.tdb: FCC_A1, type code %A, sha256 ee25c91ae357c469…

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

MoZr-03Jer-LB.tdb: FCC_A1, type code %A, sha256 cc90f5904fa89fd4…

26: PHASE FCC_A1 %A 2 1 1 !
27: CONST FCC_A1 : MO ZR : VA : !

MoZr-20Jia.tdb: FCC_A1, type code %A, sha256 3010bc0a3e13c7e8…

26: PHASE FCC_A1 %A 2 1 1 !
27: CONST FCC_A1 : MO ZR : VA : !

MoZr-20Zha.tdb: FCC_A1, type code %A, sha256 0ab607d182d6f845…

26: PHASE FCC_A1 %A 2 1 1 !
27: CONST FCC_A1 : MO ZR : VA : !

Example references (4 of 4; assessments first):

doi:10.1016/j.calphad.2003.09.003 Rosa Jerlerud Pérez, Bo Sundman, Thermodynamic assessment of the Mo–Zr binary phase diagram, Calphad 27, 253-262 (2003).
assessment that models this phase
doi:10.1016/j.calphad.2020.101766 R. Zhao, J. Wang, H. Yuan, B. Hu, Y. Du, Z. Tan, Calphad, 69, 101766(2020).
assessment that models this phase
doi:10.1016/j.mtla.2020.100701 Chao Jiang, Robert D. Mariani, Cynthia A. Adkins, Ab initio investigation and thermodynamic modeling of the Mo–Ti–Zr system, Materialia 10, 100701 (2020).
assessment that models this phase
doi:10.1361/1054971023604242 M. Zinkevich, N. Mattern, Thermodynamic assessment of the Mo-Zr system, JPE 23, 156-162 (2002).
assessment that models this phase

HCP_A3 (Mo–Zr)

Id: phase:mo-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): 300–3998.87 K, x(Zr) 0.99686–1
Literature: 11 values (11 accepted) from 2 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:mo-zr:hcp-a3
paper: paper:10.1016/j.calphad.2003.09.003:Zrhcp, paper:10.1361/1054971023604242:cph-Zr
tdb: tdb:MoZr-02Zin.tdb:HCP_A3, tdb:MoZr-03Jer-LB.tdb:HCP_A3, tdb:MoZr-20Jia.tdb:HCP_A3, tdb:MoZr-20Zha.tdb:HCP_A3

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

MoZr-02Zin.tdb: HCP_A3, type code %A, sha256 ee25c91ae357c469…

39: PHASE HCP_A3 %A 2 1 0.5 !
40: CONST HCP_A3 : MO ZR% : VA : !

MoZr-03Jer-LB.tdb: HCP_A3, type code %A, sha256 cc90f5904fa89fd4…

36: PHASE HCP_A3 %A 2 1 0.5 !
37: CONST HCP_A3 : MO ZR% : VA : !

MoZr-20Jia.tdb: HCP_A3, type code %A, sha256 3010bc0a3e13c7e8…

36: PHASE HCP_A3 %A 2 1 0.5 !
37: CONST HCP_A3 : MO ZR% : VA : !

MoZr-20Zha.tdb: HCP_A3, type code %A, sha256 0ab607d182d6f845…

36: PHASE HCP_A3 %A 2 1 0.5 !
37: CONST HCP_A3 : MO ZR% : VA : !

Example references (4 of 4; assessments first):

doi:10.1016/j.calphad.2003.09.003 Rosa Jerlerud Pérez, Bo Sundman, Thermodynamic assessment of the Mo–Zr binary phase diagram, Calphad 27, 253-262 (2003).
assessment that models this phase; reports values for this phase
doi:10.1361/1054971023604242 M. Zinkevich, N. Mattern, Thermodynamic assessment of the Mo-Zr system, JPE 23, 156-162 (2002).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1016/j.calphad.2020.101766 R. Zhao, J. Wang, H. Yuan, B. Hu, Y. Du, Z. Tan, Calphad, 69, 101766(2020).
assessment that models this phase
doi:10.1016/j.mtla.2020.100701 Chao Jiang, Robert D. Mariani, Cynthia A. Adkins, Ab initio investigation and thermodynamic modeling of the Mo–Ti–Zr system, Materialia 10, 100701 (2020).
assessment that models this phase

LIQUID (Mo–Zr)

Id: phase:mo-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 4 of 4 calculated diagram(s): 1824.95–4000 K, x(Zr) 0–1
Literature: 29 values (29 accepted) from 2 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:mo-zr:liquid
paper: paper:10.1016/j.calphad.2003.09.003:L, paper:10.1361/1054971023604242:Liquid
tdb: tdb:MoZr-02Zin.tdb:LIQUID, tdb:MoZr-03Jer-LB.tdb:LIQUID, tdb:MoZr-20Jia.tdb:LIQUID, tdb:MoZr-20Zha.tdb:LIQUID

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

MoZr-02Zin.tdb: LIQUID, type code %, sha256 ee25c91ae357c469…

24: PHASE LIQUID:L % 1 1 !
25: CONST LIQUID:L : MO ZR : !

MoZr-03Jer-LB.tdb: LIQUID, type code %, sha256 cc90f5904fa89fd4…

21: PHASE LIQUID:L % 1 1 !
22: CONST LIQUID:L : MO ZR : !

MoZr-20Jia.tdb: LIQUID, type code %, sha256 3010bc0a3e13c7e8…

21: PHASE LIQUID:L % 1 1 !
22: CONST LIQUID:L : MO ZR : !

MoZr-20Zha.tdb: LIQUID, type code %, sha256 0ab607d182d6f845…

21: PHASE LIQUID:L % 1 1 !
22: CONST LIQUID:L : MO ZR : !

Example references (5 of 5; assessments first):

doi:10.1016/j.calphad.2003.09.003 Rosa Jerlerud Pérez, Bo Sundman, Thermodynamic assessment of the Mo–Zr binary phase diagram, Calphad 27, 253-262 (2003).
assessment that models this phase; reports values for this phase
doi:10.1361/1054971023604242 M. Zinkevich, N. Mattern, Thermodynamic assessment of the Mo-Zr system, JPE 23, 156-162 (2002).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1016/j.calphad.2020.101766 R. Zhao, J. Wang, H. Yuan, B. Hu, Y. Du, Z. Tan, Calphad, 69, 101766(2020).
assessment that models this phase
doi:10.1016/j.mtla.2020.100701 Chao Jiang, Robert D. Mariani, Cynthia A. Adkins, Ab initio investigation and thermodynamic modeling of the Mo–Ti–Zr system, Materialia 10, 100701 (2020).
assessment that models this phase
doi:10.1007/bf02661635 S. P. Garg, R. J. Ackermann, The high temperature phase diagrams for zirconium-molybdenum and hafnium-molybdenum, Metall Trans A 8, 239-244 (1977).
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}
}