# Mo–Ni system

> Mo–Ni system: 56 accepted literature values (formation 39, invariant reaction 16, phase transition 1) and 5 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

HTML: https://data.orchid-project.org/systems/MO-NI.html · Markdown: https://data.orchid-project.org/systems/MO-NI.md

56 accepted literature values from 3 paper(s) (experimental 7, model 10, DFT 39); 5 calculated phase diagram(s). 10 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: [JSON](https://data.orchid-project.org/literature/systems/MO-NI.json) · [CSV](https://data.orchid-project.org/systems/MO-NI.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#MO-NI) · [interactive phase diagram](https://orchid-project.org/phase-diagrams/#MO-NI/MoNi-01Mor.json) · [phases (10)](https://data.orchid-project.org/phases/pages/MO-NI.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/MO-NI.html) · [Markdown](https://data.orchid-project.org/systems/MO-NI.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 7 |
| model | 10 |
| DFT | 39 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| invariant reaction | 16 |
| phase transition | 1 |
| formation | 39 |

## 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.

Table: Assessments with a calculated phase diagram

| TDB file | Assessment | SHA-256 | Links |
|---|---|---|---|
| MoNi-01Mor.tdb | M. Morishita, K. Koyama, S. Yagi, G. Zhang, J. Alloys Compd., 314, 212-18(2001). [doi:10.1016/S0925-8388(00)01258-5](https://doi.org/10.1016/S0925-8388%2800%2901258-5) | `de623892aa4864fb3dff962e9c72ea7b4fbe6b51f2ec8bfeb02e38c1c869e48b` | [viewer](https://orchid-project.org/phase-diagrams/#MO-NI/MoNi-01Mor.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/MoNi-01Mor.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/MoNi-01Mor.json) |
| MoNi-05Zho.tdb | S.H. Zhou, Y. Wang, C. Jiang, J.Z. Zhu, L.-Q. Chen, Z.-K. Liu, Mater. Sci. Eng. A, 397, 288-96(2005). [doi:10.1016/j.msea.2005.02.037](https://doi.org/10.1016/j.msea.2005.02.037) | `03fecfc9d1c2d36882310c5fd45abd995f1326922c853c1a619d776c2b67e59e` | [viewer](https://orchid-project.org/phase-diagrams/#MO-NI/MoNi-05Zho.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/MoNi-05Zho.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/MoNi-05Zho.json) |
| MoNi-18Yaq.tdb | K. Yaqoob, J.-C. Crivello, J.-M. Joubert, Calphad, 62, 215-22(2018). [doi:10.1016/j.calphad.2018.07.002](https://doi.org/10.1016/j.calphad.2018.07.002) | `3924118c417341268908ec0252e6f92fc8ed037b40cc0b02b79cb284df78edf0` | [viewer](https://orchid-project.org/phase-diagrams/#MO-NI/MoNi-18Yaq.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/MoNi-18Yaq.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/MoNi-18Yaq.json) |
| MoNi-90Fri.tdb | K. Frisk, Calphad, 14, 371-380(1990). [doi:10.1016/0364-5916(90)90031-T](https://doi.org/10.1016/0364-5916%2890%2990031-T) | `466888685f3de89e12f0197db8319880a8e533eaa798bdfdd9023910c12b975d` | [viewer](https://orchid-project.org/phase-diagrams/#MO-NI/MoNi-90Fri.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/MoNi-90Fri.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/MoNi-90Fri.json) |
| MoNi-99Cui-LB.tdb | Y. Cui, X. Lu, Z. Jin, Metall. Mater. Trans. A, 30A, 2735-44(1999). [doi:10.1007/s11661-999-0110-0](https://doi.org/10.1007/s11661-999-0110-0) | `5e95ab16e2564ecb46a91c8647e272282afcc6ecc3189b68c28a5a29fbec178c` | [viewer](https://orchid-project.org/phase-diagrams/#MO-NI/MoNi-99Cui-LB.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/MoNi-99Cui-LB.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/MoNi-99Cui-LB.json) |

Table: Calculated three-phase invariants (model, mole fraction of the second component)

| TDB file | T (K) | Phases at the invariant |
|---|---:|---|
| MoNi-01Mor.tdb | 1641.99 | BCC_A2 (x(Ni) 2.500e-4) + MONI (x(Ni) 0.5) + LIQUID (x(Ni) 0.61054) |
| MoNi-01Mor.tdb | 1641.99 | BCC_A2 (x(Ni) 2.500e-4) + MONI (x(Ni) 0.5) + LIQUID (x(Ni) 0.61053) |
| MoNi-01Mor.tdb | 1597.88 | MONI (x(Ni) 0.5) + LIQUID (x(Ni) 0.67095) + FCC_A1 (x(Ni) 0.73337) |
| MoNi-01Mor.tdb | 1597.88 | MONI (x(Ni) 0.5) + LIQUID (x(Ni) 0.67104) + FCC_A1 (x(Ni) 0.73347) |
| MoNi-05Zho.tdb | 1618.28 | BCC_A2 (x(Ni) 0.01837) + MONI (x(Ni) 0.4729) + LIQUID (x(Ni) 0.62366) |
| MoNi-05Zho.tdb | 1577.29 | MONI (x(Ni) 0.52051) + LIQUID (x(Ni) 0.66218) + FCC_A1 (x(Ni) 0.72937) |
| MoNi-05Zho.tdb | 1200.81 | MONI (x(Ni) 0.51763) + NI3X_D0A (x(Ni) 0.75177) + FCC_A1 (x(Ni) 0.78549) |
| MoNi-05Zho.tdb | 1192.88 | NI3X_D0A (x(Ni) 0.7526) + NI3X_II_D0A (x(Ni) 0.76105) + FCC_A1 (x(Ni) 0.78994) |
| MoNi-05Zho.tdb | 1153.73 | NI3X_II_D0A (x(Ni) 0.76382) + NI4X_D1A (x(Ni) 0.8) + FCC_A1 (x(Ni) 0.80995) |
| MoNi-05Zho.tdb | 1034.77 | MONI (x(Ni) 0.51331) + MONI2 (x(Ni) 0.66667) + NI3X_D0A (x(Ni) 0.75186) |
| MoNi-05Zho.tdb | 1034.77 | MONI (x(Ni) 0.5133) + MONI2 (x(Ni) 0.66667) + NI3X_D0A (x(Ni) 0.75186) |
| MoNi-05Zho.tdb | 909.68 | MONI2 (x(Ni) 0.66667) + NI3X_D0A (x(Ni) 0.75258) + NI3X_II_D0A (x(Ni) 0.75683) |
| MoNi-05Zho.tdb | 909.68 | MONI2 (x(Ni) 0.66667) + NI3X_D0A (x(Ni) 0.75258) + NI3X_II_D0A (x(Ni) 0.75683) |
| MoNi-05Zho.tdb | 632.03 | BCC_A2 (x(Ni) 2.000e-5) + MONI (x(Ni) 0.4982) + MONI2 (x(Ni) 0.66667) |
| MoNi-05Zho.tdb | 632.03 | BCC_A2 (x(Ni) 2.000e-5) + MONI (x(Ni) 0.4982) + MONI2 (x(Ni) 0.66667) |
| MoNi-05Zho.tdb | 557.03 | NI4X_D1A (x(Ni) 0.8) + NI8X (x(Ni) 0.88889) + FCC_A1 (x(Ni) 0.97995) |
| MoNi-05Zho.tdb | 557.03 | NI4X_D1A (x(Ni) 0.8) + NI8X (x(Ni) 0.88889) + FCC_A1 (x(Ni) 0.97989) |
| MoNi-05Zho.tdb | 557.03 | NI4X_D1A (x(Ni) 0.8) + NI8X (x(Ni) 0.88889) + FCC_A1 (x(Ni) 0.97999) |
| MoNi-18Yaq.tdb | 1622.56 | BCC_A2 (x(Ni) 0.02024) + MONI (x(Ni) 0.48805) + LIQUID (x(Ni) 0.60977) |
| MoNi-18Yaq.tdb | 1593.83 | MONI (x(Ni) 0.52395) + LIQUID (x(Ni) 0.647) + FCC_A1 (x(Ni) 0.72562) |
| MoNi-18Yaq.tdb | 1170.73 | MONI (x(Ni) 0.50968) + NI3X_D0A (x(Ni) 0.75) + FCC_A1 (x(Ni) 0.78347) |
| MoNi-18Yaq.tdb | 1170.73 | MONI (x(Ni) 0.50967) + NI3X_D0A (x(Ni) 0.75) + FCC_A1 (x(Ni) 0.78348) |
| MoNi-18Yaq.tdb | 1141.26 | NI3X_D0A (x(Ni) 0.75) + NI4X_D1A (x(Ni) 0.8) + FCC_A1 (x(Ni) 0.81953) |
| MoNi-18Yaq.tdb | 1141.26 | NI3X_D0A (x(Ni) 0.75) + NI4X_D1A (x(Ni) 0.8) + FCC_A1 (x(Ni) 0.81942) |
| MoNi-18Yaq.tdb | 1141.26 | NI3X_D0A (x(Ni) 0.75) + NI4X_D1A (x(Ni) 0.8) + FCC_A1 (x(Ni) 0.81969) |
| MoNi-18Yaq.tdb | 919.5 | BCC_A2 (x(Ni) 8.000e-4) + MONI (x(Ni) 0.46019) + NI3X_D0A (x(Ni) 0.75) |
| MoNi-18Yaq.tdb | 919.5 | BCC_A2 (x(Ni) 8.000e-4) + MONI (x(Ni) 0.46019) + NI3X_D0A (x(Ni) 0.75) |
| MoNi-90Fri.tdb | 1638 | BCC_A2 (x(Ni) 0.01602) + MONI (x(Ni) 0.49905) + LIQUID (x(Ni) 0.61635) |
| MoNi-90Fri.tdb | 1585.5 | MONI (x(Ni) 0.51407) + LIQUID (x(Ni) 0.65884) + FCC_A1 (x(Ni) 0.71485) |
| MoNi-90Fri.tdb | 1180.2 | MONI (x(Ni) 0.5204) + NI3X_D0A (x(Ni) 0.75) + FCC_A1 (x(Ni) 0.8035) |
| MoNi-90Fri.tdb | 1141.97 | NI3X_D0A (x(Ni) 0.75) + NI4X_D1A (x(Ni) 0.8) + FCC_A1 (x(Ni) 0.82541) |
| MoNi-90Fri.tdb | 1141.97 | NI3X_D0A (x(Ni) 0.75) + NI4X_D1A (x(Ni) 0.8) + FCC_A1 (x(Ni) 0.8253) |
| MoNi-90Fri.tdb | 1141.97 | NI3X_D0A (x(Ni) 0.75) + NI4X_D1A (x(Ni) 0.8) + FCC_A1 (x(Ni) 0.82528) |
| MoNi-90Fri.tdb | 317.51 | NI3X_D0A (x(Ni) 0.75) + NI4X_D1A (x(Ni) 0.8) + FCC_A1 (x(Ni) 0.99369) |
| MoNi-90Fri.tdb | 317.51 | NI3X_D0A (x(Ni) 0.75) + NI4X_D1A (x(Ni) 0.8) + FCC_A1 (x(Ni) 0.99371) |
| MoNi-90Fri.tdb | 317.51 | NI3X_D0A (x(Ni) 0.75) + NI4X_D1A (x(Ni) 0.8) + FCC_A1 (x(Ni) 0.99371) |
| MoNi-99Cui-LB.tdb | 1668.27 | BCC_A2 (x(Ni) 0.01568) + MONI (x(Ni) 0.49919) + LIQUID (x(Ni) 0.60969) |
| MoNi-99Cui-LB.tdb | 1595.58 | MONI (x(Ni) 0.5251) + LIQUID (x(Ni) 0.67398) + FCC_A1 (x(Ni) 0.73289) |
| MoNi-99Cui-LB.tdb | 1179.7 | MONI (x(Ni) 0.53848) + NI3X_D0A (x(Ni) 0.75934) + FCC_A1 (x(Ni) 0.79191) |
| MoNi-99Cui-LB.tdb | 1136.96 | NI3X_D0A (x(Ni) 0.76222) + NI4X_D1A (x(Ni) 0.8) + FCC_A1 (x(Ni) 0.82329) |
| MoNi-99Cui-LB.tdb | 1136.96 | NI3X_D0A (x(Ni) 0.76223) + NI4X_D1A (x(Ni) 0.8) + FCC_A1 (x(Ni) 0.82333) |

Convex hulls: [Materials Project DFT hull](https://data.orchid-project.org/hulls/dft-mp/MO/MO-NI.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/MO/MO-NI.json) · [CALPHAD hull MoNi-01Mor](https://data.orchid-project.org/hulls/calphad-sgte/MO/MO-NI--MoNi-01Mor.json) · [CALPHAD hull MoNi-90Fri](https://data.orchid-project.org/hulls/calphad-sgte/MO/MO-NI--MoNi-90Fri.json) · [CALPHAD hull MoNi-99Cui-LB](https://data.orchid-project.org/hulls/calphad-sgte/MO/MO-NI--MoNi-99Cui-LB.json)

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the Mo–Ni system (16)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 1619 | Liquid + bcc -> δ-NiMo | δ-NiMo: Ni 0.5 | experimental | [1] Zhou 2005; _cites Grube 1938_ | Table 4, p. 8, row 3; `ORC-DMJM7LOFWH` |  |
| 1618 | Liquid + bcc -> δ-NiMo | L: Ni 0.624; bcc: Ni 0.018; δ-NiMo: Ni 0.473 | model | [1] Zhou 2005 | Table 4, p. 8, row 1; `ORC-6PA2GIJ7SC.67da2a` |  |
| 1577 | eutectic: Liquid -> δ-NiMo + fcc | L: Ni 0.662; δ-NiMo: Ni 0.521; fcc: Ni 0.729 | model | [1] Zhou 2005 | Table 4, p. 8, row 4; `ORC-LDE6QX7GNQ.49e033` |  |
| 1574 | eutectic: Liquid -> δ-NiMo + fcc | δ-NiMo: Ni 0.5 | experimental | [1] Zhou 2005; _cites Grube 1938_ | Table 4, p. 8, row 6; `ORC-BWLZD6UVPF` |  |
| 1201 | fcc + δ-NiMo -> Ni3Mo | fcc: Ni 0.785; δ-NiMo: Ni 0.518; Ni3Mo: Ni 0.752 | model | [1] Zhou 2005 | Table 4, p. 8, row 7; `ORC-SU2XD5A56H` |  |
| 1200 | fcc + δ-NiMo -> Ni3Mo | δ-NiMo: Ni 0.5; Ni3Mo: Ni 0.75 | experimental | [1] Zhou 2005; _cites Grube 1938_ | Table 4, p. 8, row 9; `ORC-U7KEZAT5XW` |  |
| 1198 | fcc + δ-NiMo -> Ni3Mo | fcc: Ni 0.786; δ-NiMo: Ni 0.518; Ni3Mo: Ni 0.76 | model | [1] Zhou 2005 | Table 4, p. 8, row 8; `ORC-C5OUVBA45M` |  |
| 1151 | fcc + Ni3Mo -> Ni4Mo | fcc: Ni 0.808; Ni3Mo: Ni 0.756; Ni4Mo: Ni 0.8 | model | [1] Zhou 2005 | Table 4, p. 8, row 10; `ORC-HCREABA2FE` |  |
| 1150 | fcc + Ni3Mo -> Ni4Mo | fcc: Ni 0.81; Ni3Mo: Ni 0.764; Ni4Mo: Ni 0.8 | model | [1] Zhou 2005 | Table 4, p. 8, row 11; `ORC-24V5RHFCMJ` |  |
| 1148 | fcc + Ni3Mo -> Ni4Mo | Ni3Mo: Ni 0.75; Ni4Mo: Ni 0.8 | experimental | [1] Zhou 2005; _cites Grube 1938_ | Table 4, p. 8, row 12; `ORC-DF3OWFIU6S` |  |
| 1040 | δ-NiMo + Ni3Mo -> Ni2Mo | δ-NiMo: Ni 0.514; Ni3Mo: Ni 0.758; Ni2Mo: Ni 0.667 | model | [1] Zhou 2005 | Table 4, p. 8, row 14; `ORC-OJVRDR7A2F` |  |
| 1035 | δ-NiMo + Ni3Mo -> Ni2Mo | δ-NiMo: Ni 0.513; Ni3Mo: Ni 0.752; Ni2Mo: Ni 0.667 | model | [1] Zhou 2005 | Table 4, p. 8, row 13; `ORC-NJGOGTMALK` |  |
| 1033 | δ-NiMo + Ni3Mo -> Ni2Mo | δ-NiMo: Ni 0.5; Ni3Mo: Ni 0.75; Ni2Mo: Ni 0.666667 | experimental | [1] Zhou 2005; _cites Pearson 1981_ | Table 4, p. 8, row 15; `ORC-2D75SXGO3T` |  |
| 631 | δ-NiMo -> bcc + Ni2Mo | δ-NiMo: Ni 0.498; bcc: Ni 0; Ni2Mo: Ni 0.667 | model | [1] Zhou 2005 | Table 4, p. 8, row 19; `ORC-SWG2227MEP.59bafe` |  |
| 557 | fcc + Ni4Mo -> Ni8Mo | fcc: Ni 0.98; Ni4Mo: Ni 0.8; Ni8Mo: Ni 0.889 | model | [1] Zhou 2005 | Table 4, p. 8, row 16; `ORC-GDYA2ZF5DC.920477` |  |
| 555 | fcc + Ni4Mo -> Ni8Mo | Ni4Mo: Ni 0.8; Ni8Mo: Ni 0.888889 | experimental | [1] Zhou 2005; _cites Mayer 1985_ [doi](https://doi.org/10.1002/pssa.2210900209) | Table 4, p. 8, row 18; `ORC-X33ZTZK2XE` |  |

## 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](https://data.orchid-project.org/literature/dft_parity.json).

Table: Enthalpies of formation, Mo–Ni system (39)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| Mo3Ni |  | 18.85 kJ/mol-atom |  | DFT |  |  | [2] Zhou 2009 | Table 6, p. 7, row 39; `ORC-EXQUNEL3PS.c8adae` |  |
| Ni0.25Mo0.75 |  | -4.063 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 31; `ORC-A2Y4PR2MEY.e9d22f` |  |
| Ni0.25Mo0.75 |  | 9.145 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 28; `ORC-24P4ZIWOWV.f41011` |  |
| Ni0.50Mo0.50 |  | -6.405 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 32; `ORC-BE5RUGJH4N.feed25` |  |
| Ni0.75Mo0.25 |  | -4.663 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 33; `ORC-27CKX4VFJC.9e8911` |  |
| Ni0.75Mo0.25 |  | 5.083 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 30; `ORC-2LAKYBCOYE.9e85b5` |  |
| Ni2Mo |  | -8.34 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 40; `ORC-XBXAS7ODAS.432a17` |  |
| Ni3Mo |  | -8.54 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 42; `ORC-IUGTOAH2WK.d16e7a` |  |
| Ni3Mo |  | -1.86 kJ/mol-atom |  | DFT |  |  | [2] Zhou 2009 | Table 6, p. 7, row 38; `ORC-R4AY5X6IM3.70f93a` |  |
| Ni3Mo |  | 2.84 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 44; `ORC-WMXOYFTBYL.0735a0` |  |
| Ni3Mo |  | 17.06 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 43; `ORC-RXNDKRKMZ6.866930` |  |
| Ni3Mo |  | 42.65 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 41; `ORC-EESI7CPK4A.e9e1f6` |  |
| Ni4Mo |  | -7.55 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 45; `ORC-6UJLVI53GL.a2fd88` |  |
| Ni8Mo |  | -4.44 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 46; `ORC-JXG2SLOUIY.29e526` |  |
| Ni₀.₂₅Mo₀.₇₅ |  | -4.063 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 31; `ORC-A2Y4PR2MEY.eacdb2` |  |
| Ni₀.₂₅Mo₀.₇₅ |  | 9.145 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 28; `ORC-24P4ZIWOWV.695764` |  |
| Ni₀.₅₀Mo₀.₅₀ |  | -6.405 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 32; `ORC-BE5RUGJH4N.d312ce` |  |
| Ni₀.₅₀Mo₀.₅₀ |  | 10.45 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 29; `ORC-MZU67UQKLF.638a01` |  |
| Ni₀.₇₅Mo₀.₂₅ |  | -4.663 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 33; `ORC-27CKX4VFJC.854b5f` |  |
| Ni₀.₇₅Mo₀.₂₅ |  | 5.083 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 30; `ORC-2LAKYBCOYE.74c6b0` |  |
| Ni₂Mo |  | -8.34 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 40; `ORC-XBXAS7ODAS.c06f33` |  |
| Ni₃Mo |  | -8.54 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 42; `ORC-IUGTOAH2WK.4feca7` |  |
| Ni₃Mo |  | 2.84 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 44; `ORC-WMXOYFTBYL.8d7e51` |  |
| Ni₃Mo |  | 17.06 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 43; `ORC-RXNDKRKMZ6.1e4830` |  |
| Ni₃Mo |  | 42.65 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 41; `ORC-EESI7CPK4A.b47cb5` |  |
| Ni₄Mo |  | -7.55 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 45; `ORC-6UJLVI53GL.b3b7f9` |  |
| Ni₈Mo |  | -4.44 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 46; `ORC-JXG2SLOUIY.216e02` |  |
| δ-NiMo |  | -4.49 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 35; `ORC-RDISTNJK7T.1a81ea` |  |
| δ-NiMo |  | -4.49 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005; _cites Wang 2005_ [doi](https://doi.org/10.1016/j.scriptamat.2004.09.007) | Table 2, p. 4, row 35; `ORC-RDISTNJK7T.4d9a5f` |  |
| δ-NiMo |  | -2.8 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 36; `ORC-53SXQSON2H.28b793` |  |
| δ-NiMo |  | -2.8 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 36; `ORC-53SXQSON2H.37a71e` |  |
| δ-NiMo |  | -2.24 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 34; `ORC-EPSGJXOM64.68a7d0` |  |
| δ-NiMo |  | -2.24 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 34; `ORC-EPSGJXOM64.a84a0b` |  |
| δ-NiMo |  | -0.89 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 37; `ORC-BNPBVC42CD.1f2ca1` |  |
| δ-NiMo |  | -0.89 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 37; `ORC-BNPBVC42CD.22aa42` |  |
| δ-NiMo |  | -0.1 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 38; `ORC-MT2XVTSPC4.72c37f` |  |
| δ-NiMo |  | -0.1 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 38; `ORC-MT2XVTSPC4.8f86db` |  |
| δ-NiMo |  | 1.98 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 39; `ORC-XMIVKB2HUB.ad1175` |  |
| δ-NiMo |  | 1.98 kJ/mol (basis unstated) |  | DFT |  |  | [1] Zhou 2005 | Table 2, p. 4, row 39; `ORC-XMIVKB2HUB.ec7c05` |  |

## Other properties

### Phase transition (1)

Table: Phase transition, Mo–Ni system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Phase transition | 1900 K | 1900 | other | experimental | [3] Morishita 2001; _cites Takagi 1987_ | p. 1; `ORC-RLAXZ3QYRO` | “The ternary intermetallic compound, NiMo 2 B 2 has a high incongruent melting point about 1900 K, high hardness and corrosion resistance against hydrochloric and hydrosulfuric acid aqueous solution.” |

## Sources

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

1. S.H. Zhou, Y. Wang, C. Jiang, J.Z. Zhu, L.-Q. Chen, Z.-K. Liu, First-principles calculations and thermodynamic modeling of the Ni–Mo system, Materials Science and Engineering: A 397, 288-296 (2005). [doi:10.1016/j.msea.2005.02.037](https://doi.org/10.1016/j.msea.2005.02.037)
2. S.H. Zhou, Y. Wang, L.-Q. Chen, Z.-K. Liu, R.E. Napolitano, Solution-based thermodynamic modeling of the Ni–Ta and Ni–Mo–Ta systems using first-principle calculations, Calphad 33, 631-641 (2009). [doi:10.1016/j.calphad.2009.06.006](https://doi.org/10.1016/j.calphad.2009.06.006)
3. M. Morishita, K. Koyama, S. Yagi, G. Zhang, Calculated phase diagram of the Ni–Mo–B ternary system, Journal of Alloys and Compounds 314, 212-218 (2001). [doi:10.1016/s0925-8388(00)01258-5](https://doi.org/10.1016/s0925-8388%2800%2901258-5)

## 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). https://doi.org/10.5281/zenodo.23735569
- R. Arróyave, J. Saal, D. Shin, ORCHID-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). https://doi.org/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). https://doi.org/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). https://doi.org/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.

```bibtex
@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}
}
```

---

Derived data CC BY 4.0 ([licence](https://creativecommons.org/licenses/by/4.0/)): cite ORCHID ([CITATION.cff](https://data.orchid-project.org/CITATION.cff)) and the original sources. Quotes are short excerpts kept so that each value can be checked; they remain under the publishers' copyright and are not relicensed. Source papers, page images and full text are not redistributed. Field reference: [SCHEMA.md](https://data.orchid-project.org/literature/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt). Found an error? The report link of a value (Markdown: its id, ORC-..., in the Location column) opens a pre-filled GitHub issue, https://github.com/orchid-calphad/orchid-data/issues/new?template=report-value-error.yml&record_id=\<id>, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).