Mo–O phases

13 phases (tier A 3, tier C 3, liquid 3, gas 2, 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 · Mo–O system page · Markdown · field reference

Phases of the Mo–O system (13)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:mo-o:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–2897 K, x(O) 0–0.00922	2	2
FCC_A1 phase:mo-o:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 2 calculated diagram(s)	0	2
GAS phase:mo-o:gas	gas	gas	stable in 2 of 2 calculated diagram(s): 300.22–4000 K, x(O) 0.65995–1	0	2
HCP_A3 phase:mo-o:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 2 calculated diagram(s)	0	2
ION phase:mo-o:ion	liquid	liquid	stable in 1 of 1 calculated diagram(s): 1055.64–4000 K, x(O) 0–0.75189	0	1
OXIDE_L phase:mo-o:l-oxide	liquid	liquid	stable in 1 of 1 calculated diagram(s): 1070.09–1576.58 K, x(O) 0.73644–0.74999	0	1
LIQUID phase:mo-o:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 2481.38–4000 K, x(O) 0–0.1831	9	1
MO4O11 phase:mo-o:mo4o11	Mo4O11 · oP60 · Pna2_1 (33)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 2 of 2 calculated diagram(s): 300–1093.72 K, x(O) 0.73333–0.73333	18	2
MO8O23 phase:mo-o:mo8o23	Mo8O23 · mP62 · P2/c (13)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 2 of 2 calculated diagram(s): 300–1070.09 K, x(O) 0.74194–0.74194	42	2
MO9O26 phase:mo-o:mo9o26		needs_review	stable in 1 of 2 calculated diagram(s): 300.64–1063.67 K, x(O) 0.74286–0.74286	44	2
MOO2 phase:mo-o:moo2	VO2 · mP12 · P2_1/c (14)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 2 of 2 calculated diagram(s): 300–2570 K, x(O) 0.6549–0.66667	23	2
MOO3 phase:mo-o:moo3		needs_review	stable in 2 of 2 calculated diagram(s): 300–1074.98 K, x(O) 0.75–0.75	60	2
O2GAS phase:mo-o:o2gas	gas	gas	stable in 2 of 2 calculated diagram(s): 300–795 K, x(O) 1–1	0	2

BCC_A2 (Mo–O)

Id: phase:mo-o: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): 300–2897 K, x(O) 0–0.00922
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mo-o:bcc-a2
paper: paper:10.1016/j.calphad.2013.12.006:(Mo)
tdb: tdb:MoO-14Zha.tdb:BCC_A2, tdb:MoO-18Cor.tdb:BCC_A2

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

MoO-14Zha.tdb: BCC_A2, type code %B, sha256 8676113eb7b6a334…

48: PHASE BCC_A2 %B 2 1 3 !
49: CONST BCC_A2 : MO% O : VA : !

MoO-18Cor.tdb: BCC_A2, type code %B, sha256 ed619144ab732e61…

56: PHASE BCC_A2 %B 2 1 3 !
57: CONST BCC_A2 : MO : O VA% : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2013.12.006 C. Zhang, M.C. Gao, Y. Yang, F. Zhang, Thermodynamic modeling and first-principles calculations of the Mo–O system, Calphad 45, 178-187 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2018.10.002 E.C. Corcoran, J.-L. Fleche, N. Dupin, B. Sundman, C. Gueneau, Calphad, 63, 196-211(2018).
assessment that models this phase

FCC_A1 (Mo–O)

Id: phase:mo-o: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:mo-o:fcc-a1
tdb: tdb:MoO-14Zha.tdb:FCC_A1, tdb:MoO-18Cor.tdb:FCC_A1

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

MoO-14Zha.tdb: FCC_A1, type code %A, sha256 8676113eb7b6a334…

43: PHASE FCC_A1 %A 2 1 1 !
44: CONST FCC_A1 : MO : VA : !

MoO-18Cor.tdb: FCC_A1, type code %A, sha256 ed619144ab732e61…

51: PHASE FCC_A1 %A 2 1 1 !
52: CONST FCC_A1 : MO : O VA% : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2013.12.006 C. Zhang, M.C. Gao, Y. Yang, F. Zhang, Thermodynamic modeling and first-principles calculations of the Mo–O system, Calphad 45, 178-187 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2018.10.002 E.C. Corcoran, J.-L. Fleche, N. Dupin, B. Sundman, C. Gueneau, Calphad, 63, 196-211(2018).
assessment that models this phase

GAS (Mo–O)

Id: phase:mo-o:gas; status assigned
Structure: gas; type st:gas; gas; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 300.22–4000 K, x(O) 0.65995–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:mo-o:gas
tdb: tdb:MoO-14Zha.tdb:GAS, tdb:MoO-18Cor.tdb:GAS

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

MoO-14Zha.tdb: GAS, type code %, sha256 8676113eb7b6a334…

86: PHASE GAS:G % 1 1 !
87: CONST GAS:G : MO MO2 MOO MOO2 MOO3 MO2O6 MO3O9 MO4O12 MO5O15 O O2 O3 : !

MoO-18Cor.tdb: GAS, type code %, sha256 ed619144ab732e61…

94: PHASE GAS:G % 1 1 !
95: CONST GAS:G : MO MO2 MOO MOO2 MOO3 MO2O6 MO3O9 MO4O12 MO5O15 O O2 O3 : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2013.12.006 C. Zhang, M.C. Gao, Y. Yang, F. Zhang, Thermodynamic modeling and first-principles calculations of the Mo–O system, Calphad 45, 178-187 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2018.10.002 E.C. Corcoran, J.-L. Fleche, N. Dupin, B. Sundman, C. Gueneau, Calphad, 63, 196-211(2018).
assessment that models this phase

HCP_A3 (Mo–O)

Id: phase:mo-o: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: Mo 1.0000
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:mo-o:hcp-a3
tdb: tdb:MoO-14Zha.tdb:HCP_A3, tdb:MoO-18Cor.tdb:HCP_A3

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

MoO-14Zha.tdb: HCP_A3, type code %A, sha256 8676113eb7b6a334…

53: PHASE HCP_A3 %A 2 1 0.5 !
54: CONST HCP_A3 : MO : VA : !

MoO-18Cor.tdb: HCP_A3, type code %A, sha256 ed619144ab732e61…

61: PHASE HCP_A3 %A 2 1 0.5 !
62: CONST HCP_A3 : MO : VA : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2013.12.006 C. Zhang, M.C. Gao, Y. Yang, F. Zhang, Thermodynamic modeling and first-principles calculations of the Mo–O system, Calphad 45, 178-187 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2018.10.002 E.C. Corcoran, J.-L. Fleche, N. Dupin, B. Sundman, C. Gueneau, Calphad, 63, 196-211(2018).
assessment that models this phase

ION (Mo–O)

Id: phase:mo-o:ion; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 1055.64–4000 K, x(O) 0–0.75189
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:mo-o:ion
tdb: tdb:MoO-18Cor.tdb:ION

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

MoO-18Cor.tdb: ION, type code %, sha256 ed619144ab732e61…

46: PHASE ION:Y % 2 1 1 !
47: CONST ION:Y : MO+4 : MOO4-2 O-2 VA MOO3 O : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2018.10.002 E.C. Corcoran, J.-L. Fleche, N. Dupin, B. Sundman, C. Gueneau, Calphad, 63, 196-211(2018).
assessment that models this phase

OXIDE_L (Mo–O)

Id: phase:mo-o:l-oxide; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 1070.09–1576.58 K, x(O) 0.73644–0.74999
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:mo-o:l-oxide
tdb: tdb:MoO-14Zha.tdb:OXIDE_L

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

MoO-14Zha.tdb: OXIDE_L, type code %, sha256 8676113eb7b6a334…

38: PHASE OXIDE_L % 1 1 !
39: CONST OXIDE_L : MOO2 MOO3 : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2013.12.006 C. Zhang, M.C. Gao, Y. Yang, F. Zhang, Thermodynamic modeling and first-principles calculations of the Mo–O system, Calphad 45, 178-187 (2014).
assessment that models this phase

LIQUID (Mo–O)

Id: phase:mo-o:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 2481.38–4000 K, x(O) 0–0.1831
Literature: 9 values (9 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:mo-o:liquid
paper: paper:10.1016/j.calphad.2013.12.006:L
tdb: tdb:MoO-14Zha.tdb:LIQUID

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

MoO-14Zha.tdb: LIQUID, type code %, sha256 8676113eb7b6a334…

35: PHASE LIQUID:L % 1 1 !
36: CONST LIQUID:L : MO O : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2013.12.006 C. Zhang, M.C. Gao, Y. Yang, F. Zhang, Thermodynamic modeling and first-principles calculations of the Mo–O system, Calphad 45, 178-187 (2014).
assessment that models this phase; reports values for this phase

MO4O11 (Mo–O)

Id: phase:mo-o:mo4o11; status assigned
Structure: Mo4O11 · oP60 · Pna2_1 (33); type st:mo4o11-op60; 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_mp, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Mo 0.2667, O 0.7333
Stability: stable in 2 of 2 calculated diagram(s): 300–1093.72 K, x(O) 0.73333–0.73333
Literature: 18 values (18 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mo-o:mo4o11
paper: paper:10.1016/j.calphad.2013.12.006:Mo4O11
tdb: tdb:MoO-14Zha.tdb:MO4O11, tdb:MoO-18Cor.tdb:MO4O11

TDB models of MO4O11 (2): PHASE and CONSTITUENT statements as written

MoO-14Zha.tdb: MO4O11, type code %, sha256 8676113eb7b6a334…

63: PHASE MO4O11 % 2 1 2.75 !
64: CONST MO4O11 : MO : O : !

MoO-18Cor.tdb: MO4O11, type code %, sha256 ed619144ab732e61…

71: PHASE MO4O11 % 2 1 2.75 !
72: CONST MO4O11 : MO : O : !

Example references (3 of 3; assessments first):

doi:10.1016/j.calphad.2013.12.006 C. Zhang, M.C. Gao, Y. Yang, F. Zhang, Thermodynamic modeling and first-principles calculations of the Mo–O system, Calphad 45, 178-187 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2018.10.002 E.C. Corcoran, J.-L. Fleche, N. Dupin, B. Sundman, C. Gueneau, Calphad, 63, 196-211(2018).
assessment that models this phase
doi:10.1016/0022-4596(85)90253-1 M. Ghedira, H. Vincent, M. Marezio, J. Marcus, G. Furcaudot, Structure cristalline du conducteur me´tallique bidimensionnel Mo4O11-γ, Journal of Solid State Chemistry 56, 66-73 (1985).
cited as the source of values for this phase

MO8O23 (Mo–O)

Id: phase:mo-o:mo8o23; status assigned
Structure: Mo8O23 · mP62 · P2/c (13); type st:mo8o23-mp62; 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: Mo 0.2581, O 0.7419
Stability: stable in 2 of 2 calculated diagram(s): 300–1070.09 K, x(O) 0.74194–0.74194
Literature: 42 values (42 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mo-o:mo8o23
paper: paper:10.1016/j.calphad.2013.12.006:Mo8O23
tdb: tdb:MoO-14Zha.tdb:MO8O23, tdb:MoO-18Cor.tdb:MO8O23

TDB models of MO8O23 (2): PHASE and CONSTITUENT statements as written

MoO-14Zha.tdb: MO8O23, type code %, sha256 8676113eb7b6a334…

68: PHASE MO8O23 % 2 1 2.875 !
69: CONST MO8O23 : MO : O : !

MoO-18Cor.tdb: MO8O23, type code %, sha256 ed619144ab732e61…

76: PHASE MO8O23 % 2 1 2.875 !
77: CONST MO8O23 : MO : O : !

Example references (3 of 3; assessments first):

doi:10.1016/j.calphad.2013.12.006 C. Zhang, M.C. Gao, Y. Yang, F. Zhang, Thermodynamic modeling and first-principles calculations of the Mo–O system, Calphad 45, 178-187 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2018.10.002 E.C. Corcoran, J.-L. Fleche, N. Dupin, B. Sundman, C. Gueneau, Calphad, 63, 196-211(2018).
assessment that models this phase
doi:10.1016/0022-4596(87)90218-0 H. Fujishita, M. Sato, S. Sato, S. Hoshino, Structure determination of low-dimensional conductor Mo8O23, Journal of Solid State Chemistry 66, 40-46 (1987).
cited as the source of values for this phase

MO9O26 (Mo–O)

Id: phase:mo-o:mo9o26; status needs_review
No structure assigned. Why: assessment_declared_compound_differs_from_model_composition; no_on_hull_entry_in_both; no_structure_token
Candidate (literature_printed): Mo9O26 · mP70 — printed with a label mapped to this phase
Candidate (sgte_mmc2): Mo9O26 · mP70 · P2/c (13) — Hallstedt 2025 mmc2 row for MO9O26: Mo9O26
Candidate (tdb_comment): Mo9O26 · mP70 · P2/c — MoO-14Zha.tdb: 'Prototype Mo9O26 (mP70, P2/c)'
Candidate (tdb_comment): Mo9O26 · mP70 · P2/c — MoO-18Cor.tdb: 'Prototype Mo9O26 (mP70, P2/c)'
Stoichiometry: Mo 0.2571, O 0.7429
Stability: stable in 1 of 2 calculated diagram(s): 300.64–1063.67 K, x(O) 0.74286–0.74286
Literature: 44 values (44 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mo-o:mo9o26
paper: paper:10.1016/j.calphad.2013.12.006:Mo9O26
tdb: tdb:MoO-14Zha.tdb:MO9O26, tdb:MoO-18Cor.tdb:MO9O26

TDB models of MO9O26 (2): PHASE and CONSTITUENT statements as written

MoO-14Zha.tdb: MO9O26, type code %, sha256 8676113eb7b6a334…

73: PHASE MO9O26 % 2 1 2.889 !
74: CONST MO9O26 : MO : O : !

MoO-18Cor.tdb: MO9O26, type code %, sha256 ed619144ab732e61…

81: PHASE MO9O26 % 2 1 2.889 !
82: CONST MO9O26 : MO : O : !

Example references (4 of 4; assessments first):

doi:10.1016/j.calphad.2013.12.006 C. Zhang, M.C. Gao, Y. Yang, F. Zhang, Thermodynamic modeling and first-principles calculations of the Mo–O system, Calphad 45, 178-187 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2018.10.002 E.C. Corcoran, J.-L. Fleche, N. Dupin, B. Sundman, C. Gueneau, Calphad, 63, 196-211(2018).
assessment that models this phase
doi:10.1088/0022-3719/20/29/013 M Sato, M Onoda, Y Matsuda, Structural transitions in Mo<sub>n</sub>O<sub>3n-1</sub>(n=9 and 10), J. Phys. C: Solid State Phys. 20, 4763-4771 (1987).
cited as the source of values for this phase
doi:10.3891/acta.chem.scand.02-0501 Arne Magnéli, Niels Hofman-Bang, Poul Gjertsen, The Crystal Structures of Mo9O26 (beta'-Molybdenum Oxide) and Mo8O23 (beta-molybdenum Oxide)., Acta Chem. Scand. 2, 501-517 (1948).
cited as the source of values for this phase

MOO2 (Mo–O)

Id: phase:mo-o:moo2; status assigned
Structure: VO2 · mP12 · P2_1/c (14); type st:vo2-mp12; 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_structure_token, off_stoichiometric_model); structure as stated in the SGTE crystallographic table for this phase name and system
Stability: stable in 2 of 2 calculated diagram(s): 300–2570 K, x(O) 0.6549–0.66667
Literature: 23 values (23 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mo-o:moo2
paper: paper:10.1016/j.calphad.2013.12.006:MoO2
tdb: tdb:MoO-14Zha.tdb:MOO2, tdb:MoO-18Cor.tdb:MOO2

TDB models of MOO2 (2): PHASE and CONSTITUENT statements as written

MoO-14Zha.tdb: MOO2, type code %, sha256 8676113eb7b6a334…

58: PHASE MOO2 % 2 1 2 !
59: CONST MOO2 : MO% O : MO O% : !

MoO-18Cor.tdb: MOO2, type code %, sha256 ed619144ab732e61…

66: PHASE MOO2 % 2 1 2 !
67: CONST MOO2 : MO : O : !

Example references (3 of 3; assessments first):

doi:10.1016/j.calphad.2013.12.006 C. Zhang, M.C. Gao, Y. Yang, F. Zhang, Thermodynamic modeling and first-principles calculations of the Mo–O system, Calphad 45, 178-187 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2018.10.002 E.C. Corcoran, J.-L. Fleche, N. Dupin, B. Sundman, C. Gueneau, Calphad, 63, 196-211(2018).
assessment that models this phase
doi:10.3891/acta.chem.scand.21-0661 Björn G. Brandt, A. C. Skapski, Erling Thom, E. Stoll, G. Eriksson, R. Blinc et al., A Refinement of the Crystal Structure of Molybdenum Dioxide., Acta Chem. Scand. 21, 661-672 (1967).
cited as the source of values for this phase

MOO3 (Mo–O)

Id: phase:mo-o:moo3; status needs_review
No structure assigned. Why: no_structure_token; sgte_mmc2_row_disagrees_with_dft; sgte_mmc2_rows_disagree
Candidate (dft_mp): P2_1/c (14) — on-hull MP MoO3 at x(O)=0.7500
Candidate (dft_oqmd): P21/c (14) — on-hull OQMD Mo1 O3 at x(O)=0.7500
Candidate (literature_printed): alpha-MoO3 · oP16 — printed with a label mapped to this phase
Candidate (sgte_mmc2): alpha-MoO3 · oP16 · Pnma (62) — Hallstedt 2025 mmc2 row for MOO3: MoO3 (alpha)
Candidate (sgte_mmc2): beta-MoO3 · mP22 · P2_1/c (14) — Hallstedt 2025 mmc2 row for MOO3: MoO3 (beta)
Candidate (sgte_mmc2): WO3 · mP32 · P2_1/c (14) — Hallstedt 2025 mmc2 row for MOO3: MoO3 (beta-prime)
Candidate (tdb_comment): MoO3 · mP22 · P2_1/c — MoO-14Zha.tdb: 'Prototype MoO3 (mP22, P2_1/c) beta'
Candidate (tdb_comment): MoO3 · oP16 · Pnma — MoO-14Zha.tdb: 'Prototype MoO3 (oP16, Pnma) alpha'
Stoichiometry: Mo 0.2500, O 0.7500
Stability: stable in 2 of 2 calculated diagram(s): 300–1074.98 K, x(O) 0.75–0.75
Literature: 60 values (60 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mo-o:moo3
paper: paper:10.1016/j.calphad.2013.12.006:MoO3
tdb: tdb:MoO-14Zha.tdb:MOO3, tdb:MoO-18Cor.tdb:MOO3

TDB models of MOO3 (2): PHASE and CONSTITUENT statements as written

MoO-14Zha.tdb: MOO3, type code %, sha256 8676113eb7b6a334…

80: PHASE MOO3 % 2 1 3 !
81: CONST MOO3 : MO : O : !

MoO-18Cor.tdb: MOO3, type code %, sha256 ed619144ab732e61…

88: PHASE MOO3 % 2 1 3 !
89: CONST MOO3 : MO : O : !

Example references (5 of 5; assessments first):

doi:10.1016/j.calphad.2013.12.006 C. Zhang, M.C. Gao, Y. Yang, F. Zhang, Thermodynamic modeling and first-principles calculations of the Mo–O system, Calphad 45, 178-187 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2018.10.002 E.C. Corcoran, J.-L. Fleche, N. Dupin, B. Sundman, C. Gueneau, Calphad, 63, 196-211(2018).
assessment that models this phase
doi:10.1016/0022-4596(91)90064-o E.M. McCarron, J.C. Calabrese, The growth and single crystal structure of a high pressure phase of molybdenum trioxide: MoO3-II, Journal of Solid State Chemistry 91, 121-125 (1991).
cited as the source of values for this phase
doi:10.1016/0025-5408(87)90035-3 John B. Parise, Eugene.M. McCarron, Arthur W. Sleight, A new modification of ReO3-type MoO3 and the deuterated intercalation compound from which it is derived: D0.99M0O3, Materials Research Bulletin 22, 803-811 (1987).
cited as the source of values for this phase
doi:10.1103/physrevb.85.012104 Hong Ding, Keith G. Ray, Vidvuds Ozolins, Mark Asta, Structural and vibrational properties of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:mi>α</mml:mi> </mml:math> -MoO <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"> <mml:msub> <mml:mrow/> <mml:mn>3</mml:mn> </mml:msub> </mml:math> from van der Waals corrected density functional theory calculations, Phys. Rev. B 85 (2012).
cited as the source of values for this phase

O2GAS (Mo–O)

Id: phase:mo-o:o2gas; status assigned
Structure: gas; type st:gas; gas; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 300–795 K, x(O) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:mo-o:o2gas
tdb: tdb:MoO-14Zha.tdb:O2GAS, tdb:MoO-18Cor.tdb:O2GAS

TDB models of O2GAS (2): PHASE and CONSTITUENT statements as written

MoO-14Zha.tdb: O2GAS, type code %, sha256 8676113eb7b6a334…

83: PHASE O2GAS % 1 1 !
84: CONST O2GAS : O2 :!

MoO-18Cor.tdb: O2GAS, type code %, sha256 ed619144ab732e61…

91: PHASE O2GAS % 1 1 !
92: CONST O2GAS : O2 :!

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2013.12.006 C. Zhang, M.C. Gao, Y. Yang, F. Zhang, Thermodynamic modeling and first-principles calculations of the Mo–O system, Calphad 45, 178-187 (2014).
assessment that models this phase
doi:10.1016/j.calphad.2018.10.002 E.C. Corcoran, J.-L. Fleche, N. Dupin, B. Sundman, C. Gueneau, Calphad, 63, 196-211(2018).
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}
}