Mo–N phases

8 phases (tier A 2, tier C 1, liquid 1, gas 1, needs_review 2, interstitial_fcc_a1_compound 1); 6 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–N system page · Markdown · field reference

Phases of the Mo–N system (8)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:mo-n:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–3999.14 K, x(N) 0–0.0019	1	2
FCC_A1 phase:mo-n:fcc-a1	NaCl · B1 · cF8 · Fm-3m (225)	assigned	stable in 1 of 2 calculated diagram(s): 300–1092.37 K, x(N) 0.30895–0.48355	2	2
HCP_A3 phase:mo-n:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 2 calculated diagram(s)	0	2
LIQUID phase:mo-n:liquid	liquid	liquid	stable in 2 of 2 calculated diagram(s): 2877.89–4000 K, x(N) 0–0.0096	1	2
MC_SHP phase:mo-n:mc-shp	WC · B_h · hP2 · P-6m2 (187)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–769.48 K, x(N) 0.5–0.5	0	1
MO2N_B1 phase:mo-n:mo2n-b1		needs_review	not stable in 1 calculated diagram(s)	0	1
MO2N_BETA phase:mo-n:mo2n-beta		needs_review	stable in 1 of 1 calculated diagram(s): 300–941.97 K, x(N) 0.28199–0.3332	0	1
N2GAS phase:mo-n:n2gas	gas	gas	stable in 2 of 2 calculated diagram(s): 300–4000 K, x(N) 1–1	0	2

BCC_A2 (Mo–N)

Id: phase:mo-n: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): 300–3999.14 K, x(N) 0–0.0019
Literature: 1 values (1 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mo-n:bcc-a2
paper: paper:10.2298/jmmb210330011d:BCC_A2
tdb: tdb:MoN-23Dac.tdb:BCC_A2, tdb:MoN-91Fri-LB.tdb:BCC_A2

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

MoN-23Dac.tdb: BCC_A2, type code %B, sha256 d0327d2feb226fde…

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

MoN-91Fri-LB.tdb: BCC_A2, type code %B, sha256 1d4dea1aad84fb4b…

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

Example references (3 of 3; assessments first):

doi:10.2298/JMMB210330011D R.A. Daclan, M.G. Mena, M.R. Vazquez, W. Gierlotka, J. Mining Metall. B, 59, 125-36(2023).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(91)90028-I K. Frisk, Calphad, 15, 79-106(1991).
assessment that models this phase
doi:10.1016/0022-5088(78)90073-5 Hermann Jehn, Peter Ettmayer, The molybdenum-nitrogen phase diagram, Journal of the Less Common Metals 58, 85-98 (1978).
cited as the source of values for this phase

FCC_A1 (Mo–N)

Id: phase:mo-n:fcc-a1; status assigned
Structure: NaCl · B1 · cF8 · Fm-3m (225); type st:b1-nacl-cf8; interstitial_fcc_a1_compound; confidence high
Stability: stable in 1 of 2 calculated diagram(s): 300–1092.37 K, x(N) 0.30895–0.48355
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mo-n:fcc-a1
paper: paper:10.1016/0364-5916(91)90028-i:MoN
tdb: tdb:MoN-23Dac.tdb:FCC_A1, tdb:MoN-91Fri-LB.tdb:FCC_A1

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

MoN-23Dac.tdb: FCC_A1, type code %A, sha256 d0327d2feb226fde…

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

MoN-91Fri-LB.tdb: FCC_A1, type code %A, sha256 1d4dea1aad84fb4b…

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

Example references (2 of 2; assessments first):

doi:10.1016/0364-5916(91)90028-I K. Frisk, Calphad, 15, 79-106(1991).
assessment that models this phase; reports values for this phase
doi:10.2298/JMMB210330011D R.A. Daclan, M.G. Mena, M.R. Vazquez, W. Gierlotka, J. Mining Metall. B, 59, 125-36(2023).
assessment that models this phase

HCP_A3 (Mo–N)

Id: phase:mo-n: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: 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-n:hcp-a3
tdb: tdb:MoN-23Dac.tdb:HCP_A3, tdb:MoN-91Fri-LB.tdb:HCP_A3

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

MoN-23Dac.tdb: HCP_A3, type code %, sha256 d0327d2feb226fde…

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

MoN-91Fri-LB.tdb: HCP_A3, type code %, sha256 1d4dea1aad84fb4b…

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

Example references (2 of 2; assessments first):

doi:10.1016/0364-5916(91)90028-I K. Frisk, Calphad, 15, 79-106(1991).
assessment that models this phase
doi:10.2298/JMMB210330011D R.A. Daclan, M.G. Mena, M.R. Vazquez, W. Gierlotka, J. Mining Metall. B, 59, 125-36(2023).
assessment that models this phase

LIQUID (Mo–N)

Id: phase:mo-n:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 2877.89–4000 K, x(N) 0–0.0096
Literature: 1 values (1 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:mo-n:liquid
paper: paper:10.2298/jmmb210330011d:Liquid
tdb: tdb:MoN-23Dac.tdb:LIQUID, tdb:MoN-91Fri-LB.tdb:LIQUID

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

MoN-23Dac.tdb: LIQUID, type code %, sha256 d0327d2feb226fde…

38: PHASE LIQUID:L % 1 1 !
39: CONST LIQUID:L : MO N : !

MoN-91Fri-LB.tdb: LIQUID, type code %, sha256 1d4dea1aad84fb4b…

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

Example references (3 of 3; assessments first):

doi:10.2298/JMMB210330011D R.A. Daclan, M.G. Mena, M.R. Vazquez, W. Gierlotka, J. Mining Metall. B, 59, 125-36(2023).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(91)90028-I K. Frisk, Calphad, 15, 79-106(1991).
assessment that models this phase
doi:10.1016/0022-5088(78)90073-5 Hermann Jehn, Peter Ettmayer, The molybdenum-nitrogen phase diagram, Journal of the Less Common Metals 58, 85-98 (1978).
cited as the source of values for this phase

MC_SHP (Mo–N)

Id: phase:mo-n:mc-shp; status assigned
Structure: WC · B_h · hP2 · P-6m2 (187); type st:b-h-wc-hp2; 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:MC,SHP, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Mo 0.5000, N 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 300–769.48 K, x(N) 0.5–0.5
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:mo-n:mc-shp
tdb: tdb:MoN-23Dac.tdb:MC_SHP

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

MoN-23Dac.tdb: MC_SHP, type code %, sha256 d0327d2feb226fde…

69: PHASE MC_SHP % 2 1 1 !
70: CONST MC_SHP : MO : N : !

Example references (1 of 1; assessments first):

doi:10.2298/JMMB210330011D R.A. Daclan, M.G. Mena, M.R. Vazquez, W. Gierlotka, J. Mining Metall. B, 59, 125-36(2023).
assessment that models this phase

MO2N_B1 (Mo–N)

Id: phase:mo-n:mo2n-b1; status needs_review
No structure assigned. Why: site_ratios_contradict_B1:MoN-23Dac.tdb
Candidate (name_token): NaCl · B1 · cF8 · Fm-3m (225) — Strukturbericht/word 'B1' in the TDB name
Candidate (sgte_mmc2): NaCl · B1 · cF8 · Fm-3m (225) — Hallstedt 2025 mmc2 row for MO2N_B1: Mo2N-gamma
Candidate (tdb_comment): NaCl · cF8 · Fm-3m — MoN-23Dac.tdb: 'Prototype NaCl (cF8, Fm-3m), gamma'
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-n:mo2n-b1
tdb: tdb:MoN-23Dac.tdb:MO2N_B1

TDB models of MO2N_B1 (1): PHASE and CONSTITUENT statements as written

MoN-23Dac.tdb: MO2N_B1, type code %, sha256 d0327d2feb226fde…

63: PHASE MO2N_B1 % 2 2 1 !
64: CONST MO2N_B1 : MO : N% VA : !

Example references (1 of 1; assessments first):

doi:10.2298/JMMB210330011D R.A. Daclan, M.G. Mena, M.R. Vazquez, W. Gierlotka, J. Mining Metall. B, 59, 125-36(2023).
assessment that models this phase

MO2N_BETA (Mo–N)

Id: phase:mo-n:mo2n-beta; status needs_review
No structure assigned. Why: no_structure_token; off_stoichiometric_model
Candidate (sgte_mmc2): Mo2N · tI12 · I4_1/amd (141) — Hallstedt 2025 mmc2 row for MO2N_BETA: Mo2N-beta
Candidate (tdb_comment): Mo2N · tI12 · I4_1/amd, 141 — MoN-23Dac.tdb: 'Prototype Mo2N (tI12, I4_1/amd, 141)'
Stability: stable in 1 of 1 calculated diagram(s): 300–941.97 K, x(N) 0.28199–0.3332
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:mo-n:mo2n-beta
tdb: tdb:MoN-23Dac.tdb:MO2N_BETA

TDB models of MO2N_BETA (1): PHASE and CONSTITUENT statements as written

MoN-23Dac.tdb: MO2N_BETA, type code %, sha256 d0327d2feb226fde…

58: PHASE MO2N_BETA % 2 2 1 !
59: CONST MO2N_BETA : MO : N% VA : !

Example references (1 of 1; assessments first):

doi:10.2298/JMMB210330011D R.A. Daclan, M.G. Mena, M.R. Vazquez, W. Gierlotka, J. Mining Metall. B, 59, 125-36(2023).
assessment that models this phase

N2GAS (Mo–N)

Id: phase:mo-n:n2gas; status assigned
Structure: gas; type st:gas; gas; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 300–4000 K, x(N) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:mo-n:n2gas
tdb: tdb:MoN-23Dac.tdb:N2GAS, tdb:MoN-91Fri-LB.tdb:N2GAS

TDB models of N2GAS (2): PHASE and CONSTITUENT statements as written

MoN-23Dac.tdb: N2GAS, type code %, sha256 d0327d2feb226fde…

72: PHASE N2GAS % 1 1 !
73: CONST N2GAS : N2 : !

MoN-91Fri-LB.tdb: N2GAS, type code %, sha256 1d4dea1aad84fb4b…

42: PHASE N2GAS % 1 1 !
43: CONST N2GAS : N2 : !

Example references (2 of 2; assessments first):

doi:10.1016/0364-5916(91)90028-I K. Frisk, Calphad, 15, 79-106(1991).
assessment that models this phase
doi:10.2298/JMMB210330011D R.A. Daclan, M.G. Mena, M.R. Vazquez, W. Gierlotka, J. Mining Metall. B, 59, 125-36(2023).
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}
}