Mo–N system

43 accepted literature values from 2 paper(s) (experimental 1, model 30, unspecified 12); 2 calculated phase diagram(s).

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (8) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	1
model	30
unspecified	12

Accepted values by property group
Property group	Values
phase transition	1
formation	42

Calculated phase diagrams

Binary phase diagrams calculated with pycalphad 0.11.2 from the SGTE binary collection (Hallstedt 2025, CC BY 4.0). Evidence class: model.

Assessments with a calculated phase diagram
TDB file	Assessment	SHA-256	Links
MoN-23Dac.tdb	R.A. Daclan, M.G. Mena, M.R. Vazquez, W. Gierlotka, J. Mining Metall. B, 59, 125-36(2023). doi:10.2298/JMMB210330011D	`d0327d2feb226fded32b8bd7586ea57df9dda17d1e8fdb2253031d12042693ea`	viewer · TDB · JSON
MoN-91Fri-LB.tdb	K. Frisk, Calphad, 15, 79-106(1991). doi:10.1016/0364-5916(91)90028-I	`1d4dea1aad84fb4b1d9fd4be6cc78e6dc7d488898c7964744e52372adfdf2469`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
MoN-23Dac.tdb	2877.89	BCC_A2 (x(N) 2.300e-4) + LIQUID (x(N) 0.00937) + N2GAS (x(N) 1)
MoN-23Dac.tdb	2877.89	BCC_A2 (x(N) 2.200e-4) + LIQUID (x(N) 0.00928) + N2GAS (x(N) 1)
MoN-23Dac.tdb	2877.89	BCC_A2 (x(N) 2.200e-4) + LIQUID (x(N) 0.00928) + N2GAS (x(N) 1)
MoN-23Dac.tdb	941.97	BCC_A2 (x(N) 0) + MO2N_BETA (x(N) 0.28199) + N2GAS (x(N) 1)
MoN-23Dac.tdb	769.48	MO2N_BETA (x(N) 0.32895) + MC_SHP (x(N) 0.5) + N2GAS (x(N) 1)
MoN-91Fri-LB.tdb	2881.07	BCC_A2 (x(N) 0.0019) + LIQUID (x(N) 0.0096) + N2GAS (x(N) 1)
MoN-91Fri-LB.tdb	2881.07	BCC_A2 (x(N) 0.0019) + LIQUID (x(N) 0.0096) + N2GAS (x(N) 1)
MoN-91Fri-LB.tdb	1092.37	BCC_A2 (x(N) 0) + FCC_A1 (x(N) 0.30895) + N2GAS (x(N) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull MoN-91Fri-LB

Formation enthalpies

Literature values in kJ/mol-atom where the per-atom basis is known. DFT columns: the lowest-energy entry at the same composition (Materials Project 2026.04.13, OQMD v1.8; different energy references, never averaged), from dft_parity.json.

Enthalpies of formation, Mo–N system (41)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Mo2N-beta	Mo2N	-35.989 kJ/mol-atom		model	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023 cites JARVIS 2020	Table 2, p. 6, row 3 report
Mo2N-beta	Mo2N	-35.989 kJ/mol-atom	0	model	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023 cites JARVIS 2020	Table 2, p. 6, row 3 report
Mo2N-beta	Mo2N	-35.989 kJ/mol-atom		model	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023 cites JARVIS 2020	Table 2, p. 6, row 3 report
Mo2N-beta	Mo2N	-35.989 kJ/mol-atom	0	model	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023 cites JARVIS 2020	Table 2, p. 6, row 3 report
Mo2N-beta	Mo2N	-26.0974 kJ/mol-atom	0	unspecified	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023	Table 2, p. 6, row 1 report
Mo2N-beta	Mo2N	-26.0974 kJ/mol-atom		unspecified	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023	Table 2, p. 6, row 1 report
Mo2N-beta	Mo2N	-26.097 kJ/mol-atom	0	unspecified	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023	Table 2, p. 6, row 1 report
Mo2N-beta	Mo2N	-26.097 kJ/mol-atom		unspecified	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023	Table 2, p. 6, row 1 report
Mo2N-beta	Mo2N	-25.953 kJ/mol-atom	0	model	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023 cites Klimashin 2016 doi	Table 2, p. 6, row 2 report
Mo2N-beta	Mo2N	-25.953 kJ/mol-atom		model	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023 cites Klimashin 2016 doi	Table 2, p. 6, row 2 report
Mo2N-beta	Mo2N	-25.9526 kJ/mol-atom		model	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023 cites Klimashin 2016 doi	Table 2, p. 6, row 2 report
Mo2N-beta	Mo2N	-25.9526 kJ/mol-atom	0	model	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023 cites Klimashin 2016 doi	Table 2, p. 6, row 2 report
Mo2N-gamma	Mo2N	-22.0797 kJ/mol-atom	0	model	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023 cites Klimashin 2016 doi	Table 2, p. 6, row 5 report
Mo2N-gamma	Mo2N	-22.0797 kJ/mol-atom		model	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023 cites Klimashin 2016 doi	Table 2, p. 6, row 5 report
Mo2N-gamma	Mo2N	-22.079 kJ/mol-atom		model	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023 cites Klimashin 2016 doi	Table 2, p. 6, row 5 report
Mo2N-gamma	Mo2N	-22.079 kJ/mol-atom	0	model	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023 cites Klimashin 2016 doi	Table 2, p. 6, row 5 report
Mo2N-gamma	Mo2N	-21.1081 kJ/mol-atom		unspecified	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023	Table 2, p. 6, row 4 report
Mo2N-gamma	Mo2N	-21.1081 kJ/mol-atom	0	unspecified	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023	Table 2, p. 6, row 4 report
Mo2N-gamma	Mo2N	-21.108 kJ/mol-atom		unspecified	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023	Table 2, p. 6, row 4 report
Mo2N-gamma	Mo2N	-21.108 kJ/mol-atom	0	unspecified	-34.8 (mp-aaaabpjd)	-32.521 (oqmd-2032475)	[1] Daclan 2023	Table 2, p. 6, row 4 report
MoN	MoN	-24.5 kJ/mol-atom	298.15	model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[2] Frisk 1991	Table I, p. 6, row 9 report
MoN-delta	MoN	-53.7423 kJ/mol-atom	0	model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites JARVIS 2020	Table 2, p. 6, row 10 report
MoN-delta	MoN	-53.7423 kJ/mol-atom		model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites JARVIS 2020	Table 2, p. 6, row 10 report
MoN-delta	MoN	-53.742 kJ/mol-atom	0	model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites JARVIS 2020	Table 2, p. 6, row 10 report
MoN-delta	MoN	-53.742 kJ/mol-atom		model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites JARVIS 2020	Table 2, p. 6, row 10 report
MoN-delta	MoN	-51.8126 kJ/mol-atom	0	model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites Materials 2019	Table 2, p. 6, row 8 report
MoN-delta	MoN	-51.8126 kJ/mol-atom		model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites Materials 2019	Table 2, p. 6, row 8 report
MoN-delta	MoN	-51.812 kJ/mol-atom	0	model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites Materials 2019	Table 2, p. 6, row 8 report
MoN-delta	MoN	-51.812 kJ/mol-atom		model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites Materials 2019	Table 2, p. 6, row 8 report
MoN-delta	MoN	-44.2868 kJ/mol-atom	0	model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites The 2019	Table 2, p. 6, row 9 report
MoN-delta	MoN	-44.2868 kJ/mol-atom		model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites The 2019	Table 2, p. 6, row 9 report
MoN-delta	MoN	-44.286 kJ/mol-atom	0	model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites The 2019	Table 2, p. 6, row 9 report
MoN-delta	MoN	-44.286 kJ/mol-atom		model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites The 2019	Table 2, p. 6, row 9 report
MoN-delta	MoN	-39.2512 kJ/mol-atom		model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites Klimashin 2016 doi	Table 2, p. 6, row 7 report
MoN-delta	MoN	-39.2512 kJ/mol-atom	0	model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites Klimashin 2016 doi	Table 2, p. 6, row 7 report
MoN-delta	MoN	-39.251 kJ/mol-atom		model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites Klimashin 2016 doi	Table 2, p. 6, row 7 report
MoN-delta	MoN	-39.251 kJ/mol-atom	0	model	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023 cites Klimashin 2016 doi	Table 2, p. 6, row 7 report
MoN-delta	MoN	-37.7537 kJ/mol-atom	0	unspecified	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023	Table 2, p. 6, row 6 report
MoN-delta	MoN	-37.7537 kJ/mol-atom		unspecified	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023	Table 2, p. 6, row 6 report
MoN-delta	MoN	-37.753 kJ/mol-atom	0	unspecified	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023	Table 2, p. 6, row 6 report
MoN-delta	MoN	-37.753 kJ/mol-atom		unspecified	-52.788 (mp-aaaaaeed)	-45.43 (oqmd-19511)	[1] Daclan 2023	Table 2, p. 6, row 6 report

Other properties

Phase transition (1)

Phase transition, Mo–N system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	2133 K	2133	Liquid = BCC_A2 + Mo2Ngamma	experimental	[1] Daclan 2023 cites Jehn 1978 doi	p. 2 report	The reaction takes place at 2133 K and the following compositions: 0.0108, 0.19, 0.27 mole fraction of N were reported for BCC_A2, liquid, and Mo2N_gamma phases, respectively.

Formation (1)

Formation, Mo–N system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Entropy of formation printed: Entropy of Formation	-24.3 J/mol-atom/K	298.15	MoN alloy: Mo 0.5, N 0.5	model	[2] Frisk 1991	Table I, p. 6, row 12 report

Sources

Reporting papers the values were read from (a value cited from another work names that work in its row).

R.A. Daclan, M.G. Mena, M.R. Vasquez, W. Gierlotka, Ab-initio combined the Calphad approach to the phase equilibria in the ternary Ti-Mo-N system, J min metall B Metall 59, 125-136 (2023). doi:10.2298/jmmb210330011d
Karin Frisk, A thermodynamic evaluation of the Cr-N, Fe-N, Mo-N and Cr-Mo-N systems, Calphad 15, 79-106 (1991). doi:10.1016/0364-5916(91)90028-i

Please cite

R. Arróyave, J. Saal, D. Shin, ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735569
R. Arróyave, J. Saal, D. Shin, ORCHID-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735859
R. Arróyave, J. Saal, D. Shin, ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD) (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735891
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 the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work); 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). 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_literature_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735569},
  url       = {https://doi.org/10.5281/zenodo.23735569},
  note      = {Version 1, machine-extracted}
}

@misc{orchid_phase_diagrams_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Diagrams: calculated binary phase diagrams}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735859},
  url       = {https://doi.org/10.5281/zenodo.23735859}
}

@misc{orchid_hulls_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD)}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735891},
  url       = {https://doi.org/10.5281/zenodo.23735891}
}

@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}
}