# Mo–O system

> Mo–O system: 256 accepted literature values (crystal structure 191, formation 56, invariant reaction 9) and 2 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

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

256 accepted literature values from 1 paper(s) (experimental 49, model 10, DFT 197); 2 calculated phase diagram(s).

Data: [JSON](https://data.orchid-project.org/literature/systems/MO-O.json) · [CSV](https://data.orchid-project.org/systems/MO-O.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#MO-O) · [interactive phase diagram](https://orchid-project.org/phase-diagrams/#MO-O/MoO-14Zha.json) · [phases (13)](https://data.orchid-project.org/phases/pages/MO-O.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/MO-O.html) · [Markdown](https://data.orchid-project.org/systems/MO-O.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 49 |
| model | 10 |
| DFT | 197 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| invariant reaction | 9 |
| formation | 56 |
| crystal structure | 191 |

## 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 |
|---|---|---|---|
| MoO-14Zha.tdb | C. Zhang, M.C. Gao, Y. Yang, F. Zhang, Calphad, 45, 178-87(2014). [doi:10.1016/j.calphad.2013.12.006](https://doi.org/10.1016/j.calphad.2013.12.006) | `8676113eb7b6a334e81dd2f7f612fdcc69bfe483318ac9eaeea477c7ddb7b31f` | [viewer](https://orchid-project.org/phase-diagrams/#MO-O/MoO-14Zha.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/MoO-14Zha.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/MoO-14Zha.json) |
| MoO-18Cor.tdb | E.C. Corcoran, J.-L. Fleche, N. Dupin, B. Sundman, C. Gueneau, Calphad, 63, 196-211(2018). [doi:10.1016/j.calphad.2018.10.002](https://doi.org/10.1016/j.calphad.2018.10.002) | `ed619144ab732e61ce830b69196bfd20a5df5c3881bb352beff7af544e3041a8` | [viewer](https://orchid-project.org/phase-diagrams/#MO-O/MoO-18Cor.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/MoO-18Cor.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/MoO-18Cor.json) |

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

| TDB file | T (K) | Phases at the invariant |
|---|---:|---|
| MoO-14Zha.tdb | 2562.27 | LIQUID (x(O) 0.14701) + MOO2 (x(O) 0.65629) + GAS (x(O) 0.74909) |
| MoO-14Zha.tdb | 2481.38 | BCC_A2 (x(O) 0.00922) + LIQUID (x(O) 0.13348) + MOO2 (x(O) 0.6549) |
| MoO-14Zha.tdb | 1576.58 | MOO2 (x(O) 0.66667) + OXIDE_L (x(O) 0.73644) + GAS (x(O) 0.75) |
| MoO-14Zha.tdb | 1089.88 | MOO2 (x(O) 0.66667) + MO4O11 (x(O) 0.73333) + OXIDE_L (x(O) 0.73942) |
| MoO-14Zha.tdb | 1074.98 | OXIDE_L (x(O) 0.74999) + MOO3 (x(O) 0.75) + GAS (x(O) 0.94892) |
| MoO-14Zha.tdb | 1070.09 | MO4O11 (x(O) 0.73333) + MO8O23 (x(O) 0.74194) + OXIDE_L (x(O) 0.7422) |
| MoO-18Cor.tdb | 2519.27 | ION (x(O) 0.63191) + MOO2 (x(O) 0.66667) + GAS (x(O) 0.74937) |
| MoO-18Cor.tdb | 2329.95 | BCC_A2 (x(O) 0.00193) + ION (x(O) 0.41609) + MOO2 (x(O) 0.66667) |
| MoO-18Cor.tdb | 1748.81 | MOO2 (x(O) 0.66667) + ION (x(O) 0.74229) + GAS (x(O) 0.75) |
| MoO-18Cor.tdb | 1093.72 | MOO2 (x(O) 0.66667) + MO4O11 (x(O) 0.73333) + ION (x(O) 0.74088) |
| MoO-18Cor.tdb | 1068.63 | MOO3 (x(O) 0.75) + ION (x(O) 0.75189) + GAS (x(O) 0.98592) |
| MoO-18Cor.tdb | 1068.11 | MO4O11 (x(O) 0.73333) + MO8O23 (x(O) 0.74194) + ION (x(O) 0.74384) |
| MoO-18Cor.tdb | 1063.67 | MO8O23 (x(O) 0.74194) + MO9O26 (x(O) 0.74286) + ION (x(O) 0.74526) |
| MoO-18Cor.tdb | 1055.64 | MO9O26 (x(O) 0.74286) + ION (x(O) 0.74681) + MOO3 (x(O) 0.75) |

Convex hulls: [Materials Project DFT hull](https://data.orchid-project.org/hulls/dft-mp/MO/MO-O.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/MO/MO-O.json) · [CALPHAD hull MoO-14Zha](https://data.orchid-project.org/hulls/calphad-sgte/MO/MO-O--MoO-14Zha.json)

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the Mo–O system (9)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 2479.15 | eutectic: L=(Mo)+MoO2 | MoO2: O 0.666667 | model | [1] Zhang 2014 | Table 3, p. 5, row 2; `ORC-LUEFJE3NZA` |  |
| 2423.15 | eutectic: L=(Mo)+MoO2 | MoO2: O 0.666667 | experimental | [1] Zhang 2014; _cites Brewer 1990_ | Table 3, p. 5, row 1; `ORC-B3ZFPV4RP7` |  |
| 1091.15 | peritectic: L+MoO2=Mo4O11 | MoO2: O 0.666667; Mo4O11: O 0.733333 | experimental | [1] Zhang 2014; _cites Brewer 1990_ | Table 3, p. 5, row 3; `ORC-UUOU4YRKZL` |  |
| 1090.15 | peritectic: L+MoO2=Mo4O11 | MoO2: O 0.666667; Mo4O11: O 0.733333 | model | [1] Zhang 2014 | Table 3, p. 5, row 4; `ORC-SMGM2IVQOQ` |  |
| 1070.15 | peritectic: L+Mo4O11=Mo8O23 | Mo4O11: O 0.733333; Mo8O23: O 0.741935 | model | [1] Zhang 2014 | Table 3, p. 5, row 5; `ORC-CBGVEQJFKS` |  |
| 1061.15 | peritectic: L+Mo8O23=Mo9O26 | Mo8O23: O 0.741935; Mo9O26: O 0.742857 | model | [1] Zhang 2014 | Table 3, p. 5, row 7; `ORC-YX4MW622CQ` |  |
| 1059.15 | eutectic: L=Mo9O26+MoO3 | Mo9O26: O 0.742857; MoO3: O 0.75 | model | [1] Zhang 2014 | Table 3, p. 5, row 9; `ORC-4PBDES6AUT` |  |
| 1053.15 | peritectic: L+Mo8O23=Mo9O26 | Mo8O23: O 0.741935; Mo9O26: O 0.742857 | experimental | [1] Zhang 2014; _cites Phillips 1965_ | Table 3, p. 5, row 6; `ORC-CIPJAZEEG7` |  |
| 1051.15 | eutectic: L=Mo9O26+MoO3 | Mo9O26: O 0.742857; MoO3: O 0.75 | experimental | [1] Zhang 2014; _cites Phillips 1965_ | Table 3, p. 5, row 8; `ORC-DUVVS2WS3I` |  |

## 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–O system (56)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| Mo17O47·oP128 |  | -196.444 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 21; `ORC-H35IV357YB` |  |
| Mo17O47·oP128 |  | -190.221 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 22; `ORC-SEL27GDNFO` |  |
| Mo17O47·oP128 |  | -188.619 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 23; `ORC-MJMDNPDOFI` |  |
| Mo17O47·oP128 |  | -186.023 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 24; `ORC-SRFDXNERB4` |  |
| Mo3O·cF16 |  | 54.862 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 1; `ORC-HGD6VYNTBV` |  |
| Mo3O·cF16 |  | 59.908 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 2; `ORC-FG2RCE65H6` |  |
| Mo3O·cF16 |  | 60.052 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 3; `ORC-E7L744RS62` |  |
| Mo3O·cF16 |  | 62.271 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 4; `ORC-XKWOUXEMCL` |  |
| Mo4O11·oP60 |  | -195.827 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 16; `ORC-N655PL4OER` |  |
| Mo4O11·oP60 |  | -194.254 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 17; `ORC-EJMMJOMRW2` |  |
| Mo4O11·oP60 |  | -190.346 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 18; `ORC-CTBB3CMRZ5` |  |
| Mo4O11·oP60 |  | -188.961 kJ/mol-atom | 298.15 | experimental |  |  | [1] Zhang 2014; _cites Brewer 1980_ | Table 1, p. 2, row 20; `ORC-OU7IP37MU2` |  |
| Mo4O11·oP60 |  | -188.91 kJ/mol-atom | 0 | model |  |  | [1] Zhang 2014 | Table 1, p. 2, row 15; `ORC-ESRKWIKGWG` |  |
| Mo4O11·oP60 |  | -187.055 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 19; `ORC-LAOUKKOY2D` |  |
| Mo8O23·mP124 |  | -194.042 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 26; `ORC-KMEDXFEVR7` |  |
| Mo8O23·mP124 |  | -191.224 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 27; `ORC-5BZWOAJ7DK` |  |
| Mo8O23·mP124 |  | -188.435 kJ/mol-atom | 0 | model |  |  | [1] Zhang 2014 | Table 1, p. 2, row 25; `ORC-MEF42GAJQI` |  |
| Mo8O23·mP124 |  | -188.162 kJ/mol-atom | 298.15 | experimental |  |  | [1] Zhang 2014; _cites Brewer 1980_ | Table 1, p. 2, row 30; `ORC-ESS5KPW7ZK` |  |
| Mo8O23·mP124 |  | -187.847 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 28; `ORC-VPVLUEQCTD` |  |
| Mo8O23·mP124 |  | -184.798 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 29; `ORC-EXJVG2PUP3` |  |
| Mo8O23·mP62 |  | -194.148 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 31; `ORC-63YCTP7JGX` |  |
| Mo8O23·mP62 |  | -191.437 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 32; `ORC-FMMGGSWFYG` |  |
| Mo8O23·mP62 |  | -187.934 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 33; `ORC-WUGN7Z4H7L` |  |
| Mo8O23·mP62 |  | -185 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 34; `ORC-TCSH6ULGE5` |  |
| Mo9O26·mC280 |  | -193.8 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 36; `ORC-2XJGUYDTFQ` |  |
| Mo9O26·mC280 |  | -191.166 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 37; `ORC-KVMTSQ5LVH` |  |
| Mo9O26·mC280 |  | -187.567 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 38; `ORC-HP74KJD2I2` |  |
| Mo9O26·mC280 |  | -187.494 kJ/mol-atom | 0 | model |  |  | [1] Zhang 2014 | Table 1, p. 2, row 35; `ORC-QZNMYVE2MQ` |  |
| Mo9O26·mC280 |  | -187.49 kJ/mol-atom | 298.15 | experimental |  |  | [1] Zhang 2014; _cites Brewer 1980_ | Table 1, p. 2, row 40; `ORC-ZST42M5FR7` |  |
| Mo9O26·mC280 |  | -184.769 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 39; `ORC-ABHCD7WYA5` |  |
| Mo9O26·mP70 |  | -193.858 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 41; `ORC-6UTLL7YIRT` |  |
| Mo9O26·mP70 |  | -191.224 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 42; `ORC-M7NFTOR6JO` |  |
| Mo9O26·mP70 |  | -187.751 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 43; `ORC-B45T3WJFQV` |  |
| Mo9O26·mP70 |  | -184.798 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 44; `ORC-FTRMUREM3P` |  |
| MoO2·mP12 |  | -204.366 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 8; `ORC-AMFNWFAGMT` |  |
| MoO2·mP12 |  | -197.427 kJ/mol-atom | 298.15 | experimental |  |  | [1] Zhang 2014; _cites Jacob 2007_ [doi](https://doi.org/10.1016/j.jct.2007.09.005) | Table 1, p. 2, row 14; `ORC-VGFRWZPS33` |  |
| MoO2·mP12 |  | -197.167 kJ/mol-atom | 298.15 | experimental |  |  | [1] Zhang 2014; _cites H 1986_ | Table 1, p. 2, row 13; `ORC-OLH4QVD6GJ` |  |
| MoO2·mP12 |  | -196.433 kJ/mol-atom | 0 | model |  |  | [1] Zhang 2014 | Table 1, p. 2, row 7; `ORC-5OCDQXPOOQ` |  |
| MoO2·mP12 |  | -195.933 kJ/mol-atom | 298.15 | experimental |  |  | [1] Zhang 2014; _cites Brewer 1980_ | Table 1, p. 2, row 12; `ORC-CHPFZDRVMS` |  |
| MoO2·mP12 |  | -191.736 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 10; `ORC-HL5CRQFDVK` |  |
| MoO2·mP12 |  | -190.027 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 11; `ORC-XXEKG7UZSV` |  |
| MoO2·mP12 |  | -188.503 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 9; `ORC-YCXWCFN2ZB` |  |
| MoO3·mP32 |  | -190.78 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 45; `ORC-YZADL7G42V` |  |
| MoO3·mP32 |  | -188.272 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 46; `ORC-UFNPEZRHNH` |  |
| MoO3·mP32 |  | -184.586 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 47; `ORC-WMOJC2YS7N` |  |
| MoO3·mP32 |  | -183.235 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 48; `ORC-A6L2DCLGKV` |  |
| MoO3·mP8 |  | -186.217 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 49; `ORC-NRJFWGFLFT` |  |
| MoO3·mP8 |  | -185.329 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 50; `ORC-ZJQVVOGCEQ` |  |
| MoO3·mP8 |  | -181.469 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 52; `ORC-J4F556EMDN` |  |
| MoO3·mP8 |  | -180.678 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 51; `ORC-MMNJ5ACU7W` |  |
| MoO3·oP16 |  | -186.236 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 54; `ORC-LJMKHVH33Y` |  |
| MoO3·oP16 |  | -186.15 kJ/mol-atom | 0 | model |  |  | [1] Zhang 2014 | Table 1, p. 2, row 53; `ORC-XYDRW6BXS7` |  |
| MoO3·oP16 |  | -185.57 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 55; `ORC-R3QUYULUSH` |  |
| MoO3·oP16 |  | -184.418 kJ/mol-atom | 298.15 | experimental |  |  | [1] Zhang 2014; _cites Brewer 1980_ | Table 1, p. 2, row 58; `ORC-2U2XXZ6PC3` |  |
| MoO3·oP16 |  | -181.488 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 57; `ORC-KYEVCVX36N` |  |
| MoO3·oP16 |  | -180.765 kJ/mol-atom | 0 | DFT |  |  | [1] Zhang 2014 | Table 1, p. 2, row 56; `ORC-IMDS2HF5MM` |  |

## Other properties

### Crystal structure (191)

Table: Crystal structure, Mo–O system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a | 21.8467 Å | 0 | Mo17O47; _alloy: O 0.734375_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 19; `ORC-AVPRLKOGNB.7332bb` |  |
| Lattice a | 21.9034 Å | 0 | Mo17O47; _alloy: O 0.734375_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 16; `ORC-D3O4GWYEL5.917698` |  |
| Lattice a | 22.0127 Å | 0 | Mo17O47; _alloy: O 0.734375_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 18; `ORC-RUVHAWTOWY.0856e2` |  |
| Lattice a | 21.905 Å | 0 | Mo17O47; _alloy: O 0.734375_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 20; `ORC-WAC6LTXSD6.0f36b4` |  |
| Lattice a | 6.0226 Å | 0 | Mo3O; _alloy: O 0.25_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 1; `ORC-456G6YPMCX` |  |
| Lattice a | 4.2294 Å | 0 | Mo3O; _alloy: O 0.25_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 4; `ORC-GSFAXKCTHH` |  |
| Lattice a | 6.0895 Å | 0 | Mo3O; _alloy: O 0.25_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 3; `ORC-SOYJCCRW26` |  |
| Lattice a | 6.0594 Å | 0 | Mo3O; _alloy: O 0.25_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 5; `ORC-ZCMLM3XD3S` |  |
| Lattice a | 24.6225 Å | 0 | Mo4O11; _alloy: O 0.733333_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 11; `ORC-FA2MKI6UBY.db8418` |  |
| Lattice a | 24.8437 Å | 0 | Mo4O11; _alloy: O 0.733333_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 13; `ORC-KZHXBVEXKY.5a7ece` |  |
| Lattice a | 24.4321 Å | 0 | Mo4O11; _alloy: O 0.733333_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 14; `ORC-M334GTADAY.fcbfa6` |  |
| Lattice a | 24.7242 Å | 0 | Mo4O11; _alloy: O 0.733333_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 15; `ORC-UVTQEXR6Z6.1f9885` |  |
| Lattice a | 13.5454 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 24; `ORC-7UMJQLREML.69b1a8` |  |
| Lattice a | 13.5447 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 25; `ORC-D7FKD6XYN5.17d228` |  |
| Lattice a | 13.5629 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 23; `ORC-KDZECJVJMN.0939ec` |  |
| Lattice a | 13.5441 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 28; `ORC-MXAGA5DWLN.339c32` |  |
| Lattice a | 13.5296 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 30; `ORC-RVEQ4O55HN.22621c` |  |
| Lattice a | 13.5275 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 26; `ORC-RZU425RUWQ.f6057b` |  |
| Lattice a | 13.5146 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 29; `ORC-UTVQFLKZA5.89885d` |  |
| Lattice a | 13.5387 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 21; `ORC-XIXLOBGTJ2.952df8` |  |
| Lattice a | 14.7325 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 36; `ORC-4T3HIH7GDW.bf06f5` |  |
| Lattice a | 29.4888 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 34; `ORC-BDGXTMM7BA.020534` |  |
| Lattice a | 14.7035 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 39; `ORC-ERC4HWJQVC.6e13bb` |  |
| Lattice a | 29.4466 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 31; `ORC-JESH4UXSHN.87d75f` |  |
| Lattice a | 29.4872 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 33; `ORC-O2QTFDYG4I.0e3750` |  |
| Lattice a | 14.7624 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 38; `ORC-RMRVVY46PL.e3abe2` |  |
| Lattice a | 14.7544 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 40; `ORC-RUTSAXMTD6.258c9f` |  |
| Lattice a | 29.473 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 35; `ORC-YF4V4DSHHV.144435` |  |
| Lattice a | 5.6501 Å | 0 | MoO2; _alloy: O 0.666667_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 10; `ORC-4H22UNARTM.54282e` |  |
| Lattice a | 5.5814 Å | 0 | MoO2; _alloy: O 0.666667_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 6; `ORC-67SHRQPIEK.68d925` |  |
| Lattice a | 5.6428 Å | 0 | MoO2; _alloy: O 0.666667_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 8; `ORC-NYDNU6L772.e2123e` |  |
| Lattice a | 5.551 Å | 0 | MoO2; _alloy: O 0.666667_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 9; `ORC-R4JBWSJEQK.f0fdff` |  |
| Lattice a | 8.0262 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 48; `ORC-2MM2II7QZM.ce5ae2` |  |
| Lattice a | 7.586 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 49; `ORC-4V5FZUKKSR.32e048` |  |
| Lattice a | 3.89355 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 41; `ORC-6EHPYPGHHY.b7d8e7` |  |
| Lattice a | 3.96769 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 43; `ORC-7BKXMEDMS5.907e2a` |  |
| Lattice a | 13.6001 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 54; `ORC-DRN5W2OJEO.9e98e5` |  |
| Lattice a | 14.8044 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 51; `ORC-FTIMGEDTZU.e1c49d` |  |
| Lattice a | 3.93323 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 45; `ORC-JBNEGWPBY2.9ece9a` |  |
| Lattice a | 7.7116 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 50; `ORC-LJLR3XNTRJ.c4cefe` |  |
| Lattice a | 13.9848 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 55; `ORC-NQDSKVFEYV.88cf47` |  |
| Lattice a | 13.881 Å |  | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014; _cites Ding 2012_ [doi](https://doi.org/10.1103/physrevb.85.012104) | Table 4, p. 6, row 56; `ORC-NSYOSP5BC6.7c004c` |  |
| Lattice a | 3.83865 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 44; `ORC-OFMGHA2W4U.ffae32` |  |
| Lattice a | 15.2615 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 53; `ORC-WBEEJVLKWJ.525192` |  |
| Lattice a | 7.8324 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 46; `ORC-WGZKI76OOG.0b4d2b` |  |
| Lattice a | 21.615 Å | 298.15 | Mo17O47; _alloy: O 0.734375_ | experimental | [1] Zhang 2014; _cites Kihlborg 1963_ | Table 4, p. 6, row 17; `ORC-4OZGZX3MMU.5f9103` |  |
| Lattice a | 3.126 Å | 298.15 | Mo3O; _alloy: O 0.25_ | experimental | [1] Zhang 2014; _cites Schonberg 1954_ [doi](https://doi.org/10.3891/acta.chem.scand.08-0617) | Table 4, p. 6, row 2; `ORC-JVJU6DZB2Z` |  |
| Lattice a | 24.487 Å | 298.15 | Mo4O11; _alloy: O 0.733333_ | experimental | [1] Zhang 2014; _cites Ghedira 1985_ [doi](https://doi.org/10.1016/0022-4596%2885%2990253-1) | Table 4, p. 6, row 12; `ORC-LJRNA2DDT5.4f120a` |  |
| Lattice a | 13.384 Å | 298.15 | Mo8O23; _alloy: O 0.741935_ | experimental | [1] Zhang 2014; _cites Fujishita 1987_ [doi](https://doi.org/10.1016/0022-4596%2887%2990218-0) | Table 4, p. 6, row 27; `ORC-D7DPE7A5SM.eef320` |  |
| Lattice a | 13.39 Å | 298.15 | Mo8O23; _alloy: O 0.741935_ | experimental | [1] Zhang 2014; _cites Fujishita 1987_ [doi](https://doi.org/10.1016/0022-4596%2887%2990218-0) | Table 4, p. 6, row 22; `ORC-R6E3Y2W43J.e7ff1b` |  |
| Lattice a | 29.194 Å | 298.15 | Mo9O26; _alloy: O 0.742857_ | experimental | [1] Zhang 2014; _cites Sato 1987_ [doi](https://doi.org/10.1088/0022-3719/20/29/013) | Table 4, p. 6, row 32; `ORC-RDYBIOPMNQ.dafbcb` |  |
| Lattice a | 14.45 Å | 298.15 | Mo9O26; _alloy: O 0.742857_ | experimental | [1] Zhang 2014; _cites Magneli 1948_ [doi](https://doi.org/10.3891/acta.chem.scand.02-0501) | Table 4, p. 6, row 37; `ORC-XWIZQM5TTK.0a0780` |  |
| Lattice a | 5.6109 Å | 298.15 | MoO2; _alloy: O 0.666667_ | experimental | [1] Zhang 2014; _cites Brandt 1967_ [doi](https://doi.org/10.3891/acta.chem.scand.21-0661) | Table 4, p. 6, row 7; `ORC-DT2QIH3QYI.7910d9` |  |
| Lattice a | 7.6898 Å | 298.15 | MoO3; _alloy: O 0.75_ | experimental | [1] Zhang 2014; _cites Parise 1987_ [doi](https://doi.org/10.1016/0025-5408%2887%2990035-3) | Table 4, p. 6, row 47; `ORC-7LDYG2DYRL.a03f89` |  |
| Lattice a | 3.954 Å | 298.15 | MoO3; _alloy: O 0.75_ | experimental | [1] Zhang 2014; _cites McCarron 1991_ [doi](https://doi.org/10.1016/0022-4596%2891%2990064-o) | Table 4, p. 6, row 42; `ORC-FBMVDNV2RZ.e7bb51` |  |
| Lattice a | 13.855 Å | 298.15 | MoO3; _alloy: O 0.75_ | experimental | [1] Zhang 2014; _cites Kihlborg 1963_ | Table 4, p. 6, row 52; `ORC-M3373JPCS6.620a61` |  |
| Lattice b | 19.7107 Å | 0 | Mo17O47; _alloy: O 0.734375_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 19; `ORC-AVPRLKOGNB.85c775` |  |
| Lattice b | 19.8658 Å | 0 | Mo17O47; _alloy: O 0.734375_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 16; `ORC-D3O4GWYEL5.88ead9` |  |
| Lattice b | 19.9886 Å | 0 | Mo17O47; _alloy: O 0.734375_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 18; `ORC-RUVHAWTOWY.0b38e4` |  |
| Lattice b | 19.8818 Å | 0 | Mo17O47; _alloy: O 0.734375_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 20; `ORC-WAC6LTXSD6.4780a0` |  |
| Lattice b | 6.7806 Å | 0 | Mo4O11; _alloy: O 0.733333_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 11; `ORC-FA2MKI6UBY.0dc643` |  |
| Lattice b | 6.8409 Å | 0 | Mo4O11; _alloy: O 0.733333_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 13; `ORC-KZHXBVEXKY.8add1a` |  |
| Lattice b | 6.729 Å | 0 | Mo4O11; _alloy: O 0.733333_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 14; `ORC-M334GTADAY.361e01` |  |
| Lattice b | 6.8054 Å | 0 | Mo4O11; _alloy: O 0.733333_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 15; `ORC-UVTQEXR6Z6.187811` |  |
| Lattice b | 7.72653 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 24; `ORC-7UMJQLREML.bb24b3` |  |
| Lattice b | 8.14868 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 25; `ORC-D7FKD6XYN5.ee4005` |  |
| Lattice b | 8.33058 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 23; `ORC-KDZECJVJMN.822445` |  |
| Lattice b | 4.18076 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 28; `ORC-MXAGA5DWLN.1d95ca` |  |
| Lattice b | 4.08413 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 30; `ORC-RVEQ4O55HN.72055d` |  |
| Lattice b | 3.9829 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 26; `ORC-RZU425RUWQ.a1a508` |  |
| Lattice b | 3.88404 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 29; `ORC-UTVQFLKZA5.f6d3cc` |  |
| Lattice b | 7.9581 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 21; `ORC-XIXLOBGTJ2.15d2f0` |  |
| Lattice b | 3.9839 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 36; `ORC-4T3HIH7GDW.c6083b` |  |
| Lattice b | 7.7119 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 34; `ORC-BDGXTMM7BA.e9d2b8` |  |
| Lattice b | 3.89108 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 39; `ORC-ERC4HWJQVC.4e2dfa` |  |
| Lattice b | 7.9669 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 31; `ORC-JESH4UXSHN.d285ba` |  |
| Lattice b | 8.378 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 33; `ORC-O2QTFDYG4I.fd352d` |  |
| Lattice b | 4.1643 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 38; `ORC-RMRVVY46PL.5e1d7f` |  |
| Lattice b | 4.06321 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 40; `ORC-RUTSAXMTD6.3b1c55` |  |
| Lattice b | 8.1417 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 35; `ORC-YF4V4DSHHV.f80e69` |  |
| Lattice b | 4.8821 Å | 0 | MoO2; _alloy: O 0.666667_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 10; `ORC-4H22UNARTM.09255d` |  |
| Lattice b | 4.8811 Å | 0 | MoO2; _alloy: O 0.666667_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 6; `ORC-67SHRQPIEK.29256e` |  |
| Lattice b | 4.9186 Å | 0 | MoO2; _alloy: O 0.666667_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 8; `ORC-NYDNU6L772.30b5cd` |  |
| Lattice b | 4.8507 Å | 0 | MoO2; _alloy: O 0.666667_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 9; `ORC-R4JBWSJEQK.5340c5` |  |
| Lattice b | 7.8336 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 48; `ORC-2MM2II7QZM.0c317d` |  |
| Lattice b | 7.3877 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 49; `ORC-4V5FZUKKSR.fa0cda` |  |
| Lattice b | 3.69778 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 41; `ORC-6EHPYPGHHY.ff8504` |  |
| Lattice b | 3.70349 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 43; `ORC-7BKXMEDMS5.fc7513` |  |
| Lattice b | 3.6921 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 54; `ORC-DRN5W2OJEO.ffa10a` |  |
| Lattice b | 3.6971 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 51; `ORC-FTIMGEDTZU.e61a2c` |  |
| Lattice b | 3.70669 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 45; `ORC-JBNEGWPBY2.cd3643` |  |
| Lattice b | 7.4856 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 50; `ORC-LJLR3XNTRJ.d8237c` |  |
| Lattice b | 3.7029 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 55; `ORC-NQDSKVFEYV.907779` |  |
| Lattice b | 3.711 Å |  | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014; _cites Ding 2012_ [doi](https://doi.org/10.1103/physrevb.85.012104) | Table 4, p. 6, row 56; `ORC-NSYOSP5BC6.1b8b57` |  |
| Lattice b | 3.69094 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 44; `ORC-OFMGHA2W4U.b1958f` |  |
| Lattice b | 3.7027 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 53; `ORC-WBEEJVLKWJ.df1e42` |  |
| Lattice b | 7.6452 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 46; `ORC-WGZKI76OOG.d7a36f` |  |
| Lattice b | 19.632 Å | 298.15 | Mo17O47; _alloy: O 0.734375_ | experimental | [1] Zhang 2014; _cites Kihlborg 1963_ | Table 4, p. 6, row 17; `ORC-4OZGZX3MMU.531df6` |  |
| Lattice b | 6.752 Å | 298.15 | Mo4O11; _alloy: O 0.733333_ | experimental | [1] Zhang 2014; _cites Ghedira 1985_ [doi](https://doi.org/10.1016/0022-4596%2885%2990253-1) | Table 4, p. 6, row 12; `ORC-LJRNA2DDT5.e6e458` |  |
| Lattice b | 4.0616 Å | 298.15 | Mo8O23; _alloy: O 0.741935_ | experimental | [1] Zhang 2014; _cites Fujishita 1987_ [doi](https://doi.org/10.1016/0022-4596%2887%2990218-0) | Table 4, p. 6, row 27; `ORC-D7DPE7A5SM.b5348e` |  |
| Lattice b | 8.062 Å | 298.15 | Mo8O23; _alloy: O 0.741935_ | experimental | [1] Zhang 2014; _cites Fujishita 1987_ [doi](https://doi.org/10.1016/0022-4596%2887%2990218-0) | Table 4, p. 6, row 22; `ORC-R6E3Y2W43J.955d25` |  |
| Lattice b | 8.083 Å | 298.15 | Mo9O26; _alloy: O 0.742857_ | experimental | [1] Zhang 2014; _cites Sato 1987_ [doi](https://doi.org/10.1088/0022-3719/20/29/013) | Table 4, p. 6, row 32; `ORC-RDYBIOPMNQ.0ed2b7` |  |
| Lattice b | 4.03 Å | 298.15 | Mo9O26; _alloy: O 0.742857_ | experimental | [1] Zhang 2014; _cites Magneli 1948_ [doi](https://doi.org/10.3891/acta.chem.scand.02-0501) | Table 4, p. 6, row 37; `ORC-XWIZQM5TTK.58d830` |  |
| Lattice b | 4.8562 Å | 298.15 | MoO2; _alloy: O 0.666667_ | experimental | [1] Zhang 2014; _cites Brandt 1967_ [doi](https://doi.org/10.3891/acta.chem.scand.21-0661) | Table 4, p. 6, row 7; `ORC-DT2QIH3QYI.0b8e69` |  |
| Lattice b | 7.478 Å | 298.15 | MoO3; _alloy: O 0.75_ | experimental | [1] Zhang 2014; _cites Parise 1987_ [doi](https://doi.org/10.1016/0025-5408%2887%2990035-3) | Table 4, p. 6, row 47; `ORC-7LDYG2DYRL.01a8c0` |  |
| Lattice b | 3.687 Å | 298.15 | MoO3; _alloy: O 0.75_ | experimental | [1] Zhang 2014; _cites McCarron 1991_ [doi](https://doi.org/10.1016/0022-4596%2891%2990064-o) | Table 4, p. 6, row 42; `ORC-FBMVDNV2RZ.af66a9` |  |
| Lattice b | 3.6964 Å | 298.15 | MoO3; _alloy: O 0.75_ | experimental | [1] Zhang 2014; _cites Kihlborg 1963_ | Table 4, p. 6, row 52; `ORC-M3373JPCS6.9ba6f3` |  |
| Lattice c | 3.8181 Å | 0 | Mo17O47; _alloy: O 0.734375_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 19; `ORC-AVPRLKOGNB.6d161a` |  |
| Lattice c | 3.8777 Å | 0 | Mo17O47; _alloy: O 0.734375_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 16; `ORC-D3O4GWYEL5.769f01` |  |
| Lattice c | 3.9814 Å | 0 | Mo17O47; _alloy: O 0.734375_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 18; `ORC-RUVHAWTOWY.44e877` |  |
| Lattice c | 3.9294 Å | 0 | Mo17O47; _alloy: O 0.734375_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 20; `ORC-WAC6LTXSD6.ec5b12` |  |
| Lattice c | 5.496 Å | 0 | Mo4O11; _alloy: O 0.733333_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 11; `ORC-FA2MKI6UBY.1b3356` |  |
| Lattice c | 5.5453 Å | 0 | Mo4O11; _alloy: O 0.733333_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 13; `ORC-KZHXBVEXKY.0fa07b` |  |
| Lattice c | 5.45 Å | 0 | Mo4O11; _alloy: O 0.733333_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 14; `ORC-M334GTADAY.0cc520` |  |
| Lattice c | 5.5177 Å | 0 | Mo4O11; _alloy: O 0.733333_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 15; `ORC-UVTQEXR6Z6.c1a9a1` |  |
| Lattice c | 17.0734 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 24; `ORC-7UMJQLREML.cb3353` |  |
| Lattice c | 17.1083 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 25; `ORC-D7FKD6XYN5.a8e948` |  |
| Lattice c | 17.1801 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 23; `ORC-KDZECJVJMN.b49f7a` |  |
| Lattice c | 17.1426 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 28; `ORC-MXAGA5DWLN.9b550b` |  |
| Lattice c | 17.0781 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 30; `ORC-RVEQ4O55HN.146066` |  |
| Lattice c | 17.103 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 26; `ORC-RZU425RUWQ.167fec` |  |
| Lattice c | 17.0375 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 29; `ORC-UTVQFLKZA5.7acd6e` |  |
| Lattice c | 17.1372 Å | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 21; `ORC-XIXLOBGTJ2.b379b3` |  |
| Lattice c | 17.065 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 36; `ORC-4T3HIH7GDW.d1da20` |  |
| Lattice c | 16.9826 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 34; `ORC-BDGXTMM7BA.fa5822` |  |
| Lattice c | 16.9969 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 39; `ORC-ERC4HWJQVC.51ad0f` |  |
| Lattice c | 17.05 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 31; `ORC-JESH4UXSHN.1536fd` |  |
| Lattice c | 17.0792 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 33; `ORC-O2QTFDYG4I.4c6546` |  |
| Lattice c | 17.1171 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 38; `ORC-RMRVVY46PL.2e9398` |  |
| Lattice c | 17.063 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 40; `ORC-RUTSAXMTD6.2006cc` |  |
| Lattice c | 17.0251 Å | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 35; `ORC-YF4V4DSHHV.fb45fe` |  |
| Lattice c | 5.6433 Å | 0 | MoO2; _alloy: O 0.666667_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 10; `ORC-4H22UNARTM.24f069` |  |
| Lattice c | 5.6405 Å | 0 | MoO2; _alloy: O 0.666667_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 6; `ORC-67SHRQPIEK.14c357` |  |
| Lattice c | 5.6979 Å | 0 | MoO2; _alloy: O 0.666667_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 8; `ORC-NYDNU6L772.4a0f6a` |  |
| Lattice c | 5.6082 Å | 0 | MoO2; _alloy: O 0.666667_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 9; `ORC-R4JBWSJEQK.a9e40b` |  |
| Lattice c | 10.8358 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 48; `ORC-2MM2II7QZM.4ca8d8` |  |
| Lattice c | 10.3786 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 49; `ORC-4V5FZUKKSR.ebc582` |  |
| Lattice c | 7.44363 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 41; `ORC-6EHPYPGHHY.8595a7` |  |
| Lattice c | 8.11657 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 43; `ORC-7BKXMEDMS5.6fc2f4` |  |
| Lattice c | 3.8407 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 54; `ORC-DRN5W2OJEO.75fa31` |  |
| Lattice c | 3.8947 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 51; `ORC-FTIMGEDTZU.26a14a` |  |
| Lattice c | 7.14801 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 45; `ORC-JBNEGWPBY2.29ef19` |  |
| Lattice c | 10.3578 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 50; `ORC-LJLR3XNTRJ.bf7c17` |  |
| Lattice c | 3.937 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 55; `ORC-NQDSKVFEYV.6021b5` |  |
| Lattice c | 3.931 Å |  | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014; _cites Ding 2012_ [doi](https://doi.org/10.1103/physrevb.85.012104) | Table 4, p. 6, row 56; `ORC-NSYOSP5BC6.53429e` |  |
| Lattice c | 7.00409 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 44; `ORC-OFMGHA2W4U.352a89` |  |
| Lattice c | 3.9791 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 53; `ORC-WBEEJVLKWJ.490543` |  |
| Lattice c | 10.6396 Å | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 46; `ORC-WGZKI76OOG.c132cf` |  |
| Lattice c | 3.951 Å | 298.15 | Mo17O47; _alloy: O 0.734375_ | experimental | [1] Zhang 2014; _cites Kihlborg 1963_ | Table 4, p. 6, row 17; `ORC-4OZGZX3MMU.b6676e` |  |
| Lattice c | 5.457 Å | 298.15 | Mo4O11; _alloy: O 0.733333_ | experimental | [1] Zhang 2014; _cites Ghedira 1985_ [doi](https://doi.org/10.1016/0022-4596%2885%2990253-1) | Table 4, p. 6, row 12; `ORC-LJRNA2DDT5.25f5a8` |  |
| Lattice c | 16.883 Å | 298.15 | Mo8O23; _alloy: O 0.741935_ | experimental | [1] Zhang 2014; _cites Fujishita 1987_ [doi](https://doi.org/10.1016/0022-4596%2887%2990218-0) | Table 4, p. 6, row 27; `ORC-D7DPE7A5SM.1e79da` |  |
| Lattice c | 16.82 Å | 298.15 | Mo8O23; _alloy: O 0.741935_ | experimental | [1] Zhang 2014; _cites Fujishita 1987_ [doi](https://doi.org/10.1016/0022-4596%2887%2990218-0) | Table 4, p. 6, row 22; `ORC-R6E3Y2W43J.395a1d` |  |
| Lattice c | 16.816 Å | 298.15 | Mo9O26; _alloy: O 0.742857_ | experimental | [1] Zhang 2014; _cites Sato 1987_ [doi](https://doi.org/10.1088/0022-3719/20/29/013) | Table 4, p. 6, row 32; `ORC-RDYBIOPMNQ.67ebca` |  |
| Lattice c | 16.75 Å | 298.15 | Mo9O26; _alloy: O 0.742857_ | experimental | [1] Zhang 2014; _cites Magneli 1948_ [doi](https://doi.org/10.3891/acta.chem.scand.02-0501) | Table 4, p. 6, row 37; `ORC-XWIZQM5TTK.2d15cb` |  |
| Lattice c | 5.6285 Å | 298.15 | MoO2; _alloy: O 0.666667_ | experimental | [1] Zhang 2014; _cites Brandt 1967_ [doi](https://doi.org/10.3891/acta.chem.scand.21-0661) | Table 4, p. 6, row 7; `ORC-DT2QIH3QYI.a13f1f` |  |
| Lattice c | 10.6816 Å | 298.15 | MoO3; _alloy: O 0.75_ | experimental | [1] Zhang 2014; _cites Parise 1987_ [doi](https://doi.org/10.1016/0025-5408%2887%2990035-3) | Table 4, p. 6, row 47; `ORC-7LDYG2DYRL.d77a97` |  |
| Lattice c | 7.095 Å | 298.15 | MoO3; _alloy: O 0.75_ | experimental | [1] Zhang 2014; _cites McCarron 1991_ [doi](https://doi.org/10.1016/0022-4596%2891%2990064-o) | Table 4, p. 6, row 42; `ORC-FBMVDNV2RZ.fe7eae` |  |
| Lattice c | 3.9628 Å | 298.15 | MoO3; _alloy: O 0.75_ | experimental | [1] Zhang 2014; _cites Kihlborg 1963_ | Table 4, p. 6, row 52; `ORC-M3373JPCS6.dae088` |  |
| lattice beta | 106.51 degree | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 24; `ORC-7UMJQLREML.caeca3` |  |
| lattice beta | 106.59 degree | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 23; `ORC-KDZECJVJMN.31d033` |  |
| lattice beta | 106.35 degree | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 28; `ORC-MXAGA5DWLN.e87c6c` |  |
| lattice beta | 106.33 degree | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 30; `ORC-RVEQ4O55HN.613431` |  |
| lattice beta | 106.42 degree | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 26; `ORC-RZU425RUWQ.45ab22` |  |
| lattice beta | 106.41 degree | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 29; `ORC-UTVQFLKZA5.8406c9` |  |
| lattice beta | 106.6 degree | 0 | Mo8O23; _alloy: O 0.741935_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 21; `ORC-XIXLOBGTJ2.cd757a` |  |
| lattice beta | 95.25 degree | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 36; `ORC-4T3HIH7GDW.b3c730` |  |
| lattice beta | 95.35 degree | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 34; `ORC-BDGXTMM7BA.90d68c` |  |
| lattice beta | 95.23 degree | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 39; `ORC-ERC4HWJQVC.0d7f25` |  |
| lattice beta | 95.25 degree | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 31; `ORC-JESH4UXSHN.6b6ab7` |  |
| lattice beta | 95.36 degree | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 33; `ORC-O2QTFDYG4I.a34ea0` |  |
| lattice beta | 95.27 degree | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 38; `ORC-RMRVVY46PL.9a7345` |  |
| lattice beta | 95.32 degree | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 40; `ORC-RUTSAXMTD6.d57794` |  |
| lattice beta | 95.4 degree | 0 | Mo9O26; _alloy: O 0.742857_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 35; `ORC-YF4V4DSHHV.96d921` |  |
| lattice beta | 121.21 degree | 0 | MoO2; _alloy: O 0.666667_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 10; `ORC-4H22UNARTM.022873` |  |
| lattice beta | 120.69 degree | 0 | MoO2; _alloy: O 0.666667_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 6; `ORC-67SHRQPIEK.2023c0` |  |
| lattice beta | 120.72 degree | 0 | MoO2; _alloy: O 0.666667_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 8; `ORC-NYDNU6L772.c11f58` |  |
| lattice beta | 137.3 degree | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 48; `ORC-2MM2II7QZM.defbb1` |  |
| lattice beta | 135.51 degree | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 49; `ORC-4V5FZUKKSR.93ac3c` |  |
| lattice beta | 103.107 degree | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 41; `ORC-6EHPYPGHHY.fd423d` |  |
| lattice beta | 102.24 degree | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 43; `ORC-7BKXMEDMS5.a9b6c8` |  |
| lattice beta | 103.338 degree | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 45; `ORC-JBNEGWPBY2.9acc2d` |  |
| lattice beta | 135.93 degree | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 50; `ORC-LJLR3XNTRJ.fdf5d6` |  |
| lattice beta | 103.645 degree | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 44; `ORC-OFMGHA2W4U.4e1ceb` |  |
| lattice beta | 136.77 degree | 0 | MoO3; _alloy: O 0.75_ | DFT | [1] Zhang 2014 | Table 4, p. 6, row 46; `ORC-WGZKI76OOG.83c00a` |  |
| lattice beta | 106.27 degree | 298.15 | Mo8O23; _alloy: O 0.741935_ | experimental | [1] Zhang 2014; _cites Fujishita 1987_ [doi](https://doi.org/10.1016/0022-4596%2887%2990218-0) | Table 4, p. 6, row 27; `ORC-D7DPE7A5SM.2d4d78` |  |
| lattice beta | 106.02 degree | 298.15 | Mo8O23; _alloy: O 0.741935_ | experimental | [1] Zhang 2014; _cites Fujishita 1987_ [doi](https://doi.org/10.1016/0022-4596%2887%2990218-0) | Table 4, p. 6, row 22; `ORC-R6E3Y2W43J.186c19` |  |
| lattice beta | 95.47 degree | 298.15 | Mo9O26; _alloy: O 0.742857_ | experimental | [1] Zhang 2014; _cites Sato 1987_ [doi](https://doi.org/10.1088/0022-3719/20/29/013) | Table 4, p. 6, row 32; `ORC-RDYBIOPMNQ.ddc736` |  |
| lattice beta | 96 degree | 298.15 | Mo9O26; _alloy: O 0.742857_ | experimental | [1] Zhang 2014; _cites Magneli 1948_ [doi](https://doi.org/10.3891/acta.chem.scand.02-0501) | Table 4, p. 6, row 37; `ORC-XWIZQM5TTK.140ff6` |  |
| lattice beta | 120.95 degree | 298.15 | MoO2; _alloy: O 0.666667_ | experimental | [1] Zhang 2014; _cites Brandt 1967_ [doi](https://doi.org/10.3891/acta.chem.scand.21-0661) | Table 4, p. 6, row 7; `ORC-DT2QIH3QYI.502aca` |  |
| lattice beta | 135.96 degree | 298.15 | MoO3; _alloy: O 0.75_ | experimental | [1] Zhang 2014; _cites Parise 1987_ [doi](https://doi.org/10.1016/0025-5408%2887%2990035-3) | Table 4, p. 6, row 47; `ORC-7LDYG2DYRL.c264ad` |  |
| lattice beta | 103.75 degree | 298.15 | MoO3; _alloy: O 0.75_ | experimental | [1] Zhang 2014; _cites McCarron 1991_ [doi](https://doi.org/10.1016/0022-4596%2891%2990064-o) | Table 4, p. 6, row 42; `ORC-FBMVDNV2RZ.90c10e` |  |

## Sources

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

1. 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). [doi:10.1016/j.calphad.2013.12.006](https://doi.org/10.1016/j.calphad.2013.12.006)

## 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/).