# Fe–Nb–Zr system

> Fe–Nb–Zr system: 100 accepted literature values (crystal structure 41, formation 30, invariant reaction 29) and 0 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

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100 accepted literature values from 1 paper(s) (experimental 12, model 28, DFT 60); 0 calculated phase diagram(s).

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Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 12 |
| model | 28 |
| DFT | 60 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| invariant reaction | 29 |
| formation | 30 |
| crystal structure | 41 |

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the Fe–Nb–Zr system (29)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 1806.6 | L + C14 -> μ | L: Nb 0.5; C14: Nb 0.381; μ: Nb 0.487 | model | [1] Lu 2017 | Table 4, p. 7, row 28; `ORC-3W6B6LYUAW` |  |
| 1801.3 | L + C14 -> μ | L: Nb 0.527; C14: Nb 0.411; μ: Nb 0.497 | model | [1] Lu 2017; _cites Khvan 2012_ [doi](https://doi.org/10.1016/j.calphad.2012.09.001) | Table 4, p. 7, row 29; `ORC-CPKQTSYBTQ` |  |
| 1796 | L + C14 -> μ | L: Nb 0.52; C14: Nb 0.376; μ: Nb 0.465 | experimental | [1] Lu 2017; _cites Vo 2011_ [doi](https://doi.org/10.1007/s11669-010-9808-3) | Table 4, p. 7, row 30; `ORC-XWJUABUX35` |  |
| 1781 | L -> μ + bcc-Nb | L: Nb 0.586; μ: Nb 0.51; bcc-Nb: Nb 0.91 | experimental | [1] Lu 2017; _cites Vo 2011_ [doi](https://doi.org/10.1007/s11669-010-9808-3) | Table 4, p. 7, row 33; `ORC-Z3LBZ2IOGB` |  |
| 1779.7 | L -> μ + bcc-Nb | L: Nb 0.579; μ: Nb 0.515; bcc-Nb: Nb 0.907 | model | [1] Lu 2017; _cites Khvan 2012_ [doi](https://doi.org/10.1016/j.calphad.2012.09.001) | Table 4, p. 7, row 32; `ORC-QZVUATIQYA` |  |
| 1776.8 | L -> μ + bcc-Nb | L: Nb 0.583; μ: Nb 0.514; bcc-Nb: Nb 0.907 | model | [1] Lu 2017 | Table 4, p. 7, row 31; `ORC-KQJEYKAVZE` |  |
| 1753 | L + C15 -> Fe23Zr6 | L: Zr 0.133; C15: Zr 0.281; Fe23Zr6: Zr 0.241 | experimental | [1] Lu 2017; _cites Svechnikov 1962_ | Table 4, p. 7, row 6; `ORC-7LG55U5QKN` |  |
| 1746 | L + C15 -> Fe23Zr6 | L: Zr 0.155; C15: Zr 0.261; Fe23Zr6: Zr 0.208 | model | [1] Lu 2017 | Table 4, p. 7, row 5; `ORC-WK3TFZ5TYD` |  |
| 1648.2 | L -> bcc-Fe + C14 | L: Nb 0.094; bcc-Fe: Nb 0.031; C14: Nb 0.25 | model | [1] Lu 2017; _cites Khvan 2012_ [doi](https://doi.org/10.1016/j.calphad.2012.09.001) | Table 4, p. 7, row 26; `ORC-FC56M2BRY3` |  |
| 1647 | L -> bcc-Fe + C14 | L: Nb 0.082; bcc-Fe: Nb 0.032; C14: Nb 0.251 | experimental | [1] Lu 2017; _cites Vo 2011_ [doi](https://doi.org/10.1007/s11669-010-9808-3) | Table 4, p. 7, row 27; `ORC-J73CIUG6FD` |  |
| 1647 | bcc-Fe -> fcc-Fe + L |  | experimental | [1] Lu 2017; _cites Stein 2002_ [doi](https://doi.org/10.1361/105497102770331172) | Table 4, p. 7, row 18; `ORC-X3SJHK6VNI` |  |
| 1640.8 | bcc-Fe -> fcc-Fe + L | bcc-Fe: Zr 0.007178; fcc-Fe: Zr 0.006486; L: Zr 0.064 | model | [1] Lu 2017 | Table 4, p. 7, row 17; `ORC-BF4SUOLPXL` |  |
| 1638.7 | L -> bcc-Fe + C14 | L: Nb 0.099; bcc-Fe: Nb 0.032; C14: Nb 0.262 | model | [1] Lu 2017 | Table 4, p. 7, row 25; `ORC-CM76RAMBBV` |  |
| 1580.5 | L -> fcc-Fe + Fe23Zr6 | L: Zr 0.082; fcc-Fe: Zr 0.008882; Fe23Zr6: Zr 0.207 | model | [1] Lu 2017 | Table 4, p. 7, row 3; `ORC-XIY2XAZY54` |  |
| 1578 | L -> fcc-Fe + Fe23Zr6 |  | experimental | [1] Lu 2017; _cites Stein 2002_ [doi](https://doi.org/10.1361/105497102770331172) | Table 4, p. 7, row 4; `ORC-RZGA57JUFP` |  |
| 1463.1 | bcc-Fe (δ-Fe) -> fcc-Fe + C14 | bcc-Fe (δ-Fe): Nb 0.018; fcc-Fe: Nb 0.012; C14: Nb 0.254 | model | [1] Lu 2017; _cites Khvan 2012_ [doi](https://doi.org/10.1016/j.calphad.2012.09.001) | Table 4, p. 7, row 23; `ORC-YK6R6ACUY4` |  |
| 1456 | bcc-Fe (δ-Fe) -> fcc-Fe + C14 | bcc-Fe (δ-Fe): Nb 0.015; fcc-Fe: Nb 0.011; C14: Nb 0.265 | experimental | [1] Lu 2017; _cites Vo 2011_ [doi](https://doi.org/10.1007/s11669-010-9808-3) | Table 4, p. 7, row 24; `ORC-ECTA4VL6PX` |  |
| 1455.5 | bcc-Fe (δ-Fe) -> fcc-Fe + C14 | bcc-Fe (δ-Fe): Nb 0.019; fcc-Fe: Nb 0.013; C14: Nb 0.266 | model | [1] Lu 2017 | Table 4, p. 7, row 22; `ORC-IO6Q2ONFQW` |  |
| 1224 | C15 + L -> FeZr2 | C15: Zr 0.344; L: Zr 0.73; FeZr2: Zr 0.667 | experimental | [1] Lu 2017; _cites Stein 2002_ [doi](https://doi.org/10.1361/105497102770331172) | Table 4, p. 7, row 8; `ORC-6AVHZEZSDV` |  |
| 1216.2 | fcc-Fe + C14 -> bcc-Fe (α-Fe) | fcc-Fe: Nb 0.004529; C14: Nb 0.275; bcc-Fe (α-Fe): Nb 0.006904 | model | [1] Lu 2017 | Table 4, p. 7, row 19; `ORC-KY7HKYWFEJ` |  |
| 1216 | fcc-Fe + C14 -> bcc-Fe (α-Fe) | C14: Nb 0.276 | experimental | [1] Lu 2017; _cites Vo 2011_ [doi](https://doi.org/10.1007/s11669-010-9808-3) | Table 4, p. 7, row 21; `ORC-H7NUE7ZV7R` |  |
| 1214.8 | C15 + L -> FeZr2 | C15: Zr 0.353; L: Zr 0.702; FeZr2: Zr 0.67 | model | [1] Lu 2017 | Table 4, p. 7, row 7; `ORC-O3A2OB3D3Q` |  |
| 1214.2 | fcc-Fe + C14 -> bcc-Fe (α-Fe) | fcc-Fe: Nb 0.004123; C14: Nb 0.263; bcc-Fe (α-Fe): Nb 0.00636 | model | [1] Lu 2017; _cites Khvan 2012_ [doi](https://doi.org/10.1016/j.calphad.2012.09.001) | Table 4, p. 7, row 20; `ORC-5HZSKAOH7Q` |  |
| 1204.2 | FeZr2 + bcc-Zr -> L | FeZr2: Zr 0.671; bcc-Zr: Zr 0.943; L: Zr 0.723 | model | [1] Lu 2017 | Table 4, p. 7, row 9; `ORC-KH7U6PWPYH` |  |
| 1201 | FeZr2 + bcc-Zr -> L | FeZr2: Zr 0.67; bcc-Zr: Zr 0.958; L: Zr 0.76 | experimental | [1] Lu 2017; _cites Stein 2002_ [doi](https://doi.org/10.1361/105497102770331172) | Table 4, p. 7, row 10; `ORC-I6AZBJPGQK` |  |
| 1126.8 | C15 + bcc-Zr -> FeZr3 | C15: Zr 0.67; bcc-Zr: Zr 0.955; FeZr3: Zr 0.751 | model | [1] Lu 2017 | Table 4, p. 7, row 11; `ORC-DWSYV2LY5D` |  |
| 1124 | C15 + bcc-Zr -> FeZr3 | C15: Zr 0.67; bcc-Zr: Zr 0.959 | experimental | [1] Lu 2017; _cites Stein 2002_ [doi](https://doi.org/10.1361/105497102770331172) | Table 4, p. 7, row 12; `ORC-VNNHR6FZ5L` |  |
| 1054.4 | C15 + FeZr3 -> FeZr2 | C15: Zr 0.344; FeZr3: Zr 0.748; FeZr2: Zr 0.668 | model | [1] Lu 2017 | Table 4, p. 7, row 13; `ORC-ZDMHV7YWWC` |  |
| 1053 | C15 + FeZr3 -> FeZr2 | C15: Zr 0.344; FeZr3: Zr 0.745 | experimental | [1] Lu 2017; _cites Stein 2002_ [doi](https://doi.org/10.1361/105497102770331172) | Table 4, p. 7, row 14; `ORC-UUE3PXV345` |  |

## 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, Fe–Nb–Zr system (30)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| C15 |  | -32.43 kJ/mol (basis unstated) | 1673 | DFT |  |  | [1] Lu 2017; _cites Fleming 1985_ | Table 2, p. 3, row 4; `ORC-3DLVARDRTQ` |  |
| C15 |  | -30.6 kJ/mol (basis unstated) | 1673 | DFT |  |  | [1] Lu 2017; _cites Fleming 1985_ | Table 2, p. 3, row 3; `ORC-NYOMMDUL5P` |  |
| C15 |  | -29.7 kJ/mol (basis unstated) | 1760 | DFT |  |  | [1] Lu 2017; _cites Gachon 1983_ [doi](https://doi.org/10.1016/0364-5916%2883%2990024-x) | Table 2, p. 3, row 2; `ORC-TQK3ZXL2J6` |  |
| C15 |  | -29.2 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 1; `ORC-EYF66W6W3K` |  |
| C15 |  | -27.02 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017; _cites Kawsar 2016_ | Table 2, p. 3, row 5; `ORC-6YWD64FSKM` |  |
| C15 |  | -16.47 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 12; `ORC-HJ4REPFLNI` |  |
| C15 |  | 30.07 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 9; `ORC-AMEBS7FB2Z` |  |
| C15 |  | 72.88 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 13; `ORC-SA3YOFDBLP` |  |
| C15 |  | 75.52 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 6; `ORC-S3LMAFYINH` |  |
| C36 |  | -28.55 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 29; `ORC-K6WKTCKBJH` |  |
| C36 |  | -26.34 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017; _cites Kawsar 2016_ | Table 2, p. 3, row 30; `ORC-W7H3PS4USN` |  |
| C36 |  | -16.44 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 37; `ORC-LH6GEAY7JO` |  |
| C36 |  | 14.61 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 34; `ORC-NLJJEVXLIR` |  |
| C36 |  | 57.9 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 38; `ORC-ACZG5W4K5U` |  |
| C36 |  | 93.32 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 31; `ORC-QQWPKDAMZE` |  |
| τ1 |  | -10.87 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 57; `ORC-I6TRSID36B` |  |
| τ1 |  | 6 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 59; `ORC-EJIQR4G5XU` |  |
| τ1 |  | 25.8 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 60; `ORC-U63OXKA4OI` |  |
| τ1 |  | 33.47 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 54; `ORC-KUVBAZUQXQ` |  |
| τ1 |  | 34.44 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 58; `ORC-EO2QKISNA3` |  |
| τ2 |  | -27.73 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 14; `ORC-DMUKTIXXW4` |  |
| τ2 |  | -25.57 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017; _cites Kawsar 2016_ | Table 2, p. 3, row 15; `ORC-K6D3WGYRR5` |  |
| τ2 |  | -17.69 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 25; `ORC-5DPCZVTMZJ` |  |
| τ2 |  | -13.24 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017; _cites Liu 2012_ [doi](https://doi.org/10.1016/j.calphad.2012.03.004) | Table 2, p. 3, row 26; `ORC-KKPDGJSLJA` |  |
| τ2 |  | 14.71 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017; _cites Liu 2012_ [doi](https://doi.org/10.1016/j.calphad.2012.03.004) | Table 2, p. 3, row 20; `ORC-G2RITPZ6TF` |  |
| τ2 |  | 30.41 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 19; `ORC-TJO4J3GC5W` |  |
| τ2 |  | 31.1 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017; _cites Sluiter 2006_ [doi](https://doi.org/10.1016/j.calphad.2006.09.002) | Table 2, p. 3, row 21; `ORC-ZP76HLKASW` |  |
| τ2 |  | 60.01 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017; _cites Liu 2012_ [doi](https://doi.org/10.1016/j.calphad.2012.03.004) | Table 2, p. 3, row 28; `ORC-V2BSZJCMVD` |  |
| τ2 |  | 74.5 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 27; `ORC-VADH3RFI3W` |  |
| τ2 |  | 88.94 kJ/mol (basis unstated) | 0 | DFT |  |  | [1] Lu 2017 | Table 2, p. 3, row 16; `ORC-AHA7DBGSXY` |  |

## Other properties

### Crystal structure (41)

Table: Crystal structure, Fe–Nb–Zr system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a; _printed: a_ | 6.76 Å | 0 | C15; _alloy: Nb 0.333333, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 12; `ORC-3JOOBHHB5D` |  |
| Lattice a; _printed: a_ | 7.02 Å | 0 | C15; _alloy: Nb 0, Zr 0.333333_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 1; `ORC-7PVQ7FKPOI` |  |
| Lattice a; _printed: a_ | 7.91 Å | 0 | C15; _alloy: Nb 0, Zr 0.666667_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 6; `ORC-7UTZWLOOVF` |  |
| Lattice a; _printed: a_ | 6.43 Å | 0 | C15; _alloy: Nb 0, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 9; `ORC-BUBXY3LKN7` |  |
| Lattice a; _printed: a_ | 7.38 Å | 0 | C15; _alloy: Nb 0.666667, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 13; `ORC-FTV2IV5LFQ` |  |
| Lattice a; _printed: a_ | 7.05 Å | 0 | C15; _alloy: Nb 0, Zr 0.333333_ | model | [1] Lu 2017; _cites Kawsar 2016_ | Table 2, p. 3, row 5; `ORC-JKKQBFW6PY` |  |
| Lattice a; _printed: a_ | 4.96 Å | 0 | C36; _alloy: Nb 0, Zr 0.333333_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 29; `ORC-6JV6SVCEFA.08b4bb` |  |
| Lattice a; _printed: a_ | 4.77 Å | 0 | C36; _alloy: Nb 0.333333, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 37; `ORC-7JTQQA23HD.23c940` |  |
| Lattice a; _printed: a_ | 4.99 Å | 0 | C36; _alloy: Nb 0, Zr 0.333333_ | model | [1] Lu 2017; _cites Kawsar 2016_ | Table 2, p. 3, row 30; `ORC-F4QACI2XVY.0af7a9` |  |
| Lattice a; _printed: a_ | 4.66 Å | 0 | C36; _alloy: Nb 0, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 34; `ORC-QJNEKRXF7P.293831` |  |
| Lattice a; _printed: a_ | 5.75 Å | 0 | C36; _alloy: Nb 0, Zr 0.666667_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 31; `ORC-U2K2SP3AS4.084b30` |  |
| Lattice a; _printed: a_ | 5.31 Å | 0 | C36; _alloy: Nb 0.666667, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 38; `ORC-XIWDAYK7VP.c400d9` |  |
| Lattice a; _printed: a_ | 12.12 Å | 0 | τ1; _alloy: Nb 0, Zr 0.666667_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 57; `ORC-24Z6UOWMI6` |  |
| Lattice a; _printed: a_ | 11.19 Å | 0 | τ1; _alloy: Nb 0.333333, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 60; `ORC-GGPWHUP3YF` |  |
| Lattice a; _printed: a_ | 11.5 Å | 0 | τ1; _alloy: Nb 0.666667, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 59; `ORC-IJVB2TKB4T` |  |
| Lattice a; _printed: a_ | 10.13 Å | 0 | τ1; _alloy: Nb 0, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 54; `ORC-WAIP4NKNEQ` |  |
| Lattice a; _printed: a_ | 11.62 Å | 0 | τ1; _alloy: Nb 0, Zr 0.333333_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 58; `ORC-ZS2A5FY24M` |  |
| Lattice a; _printed: a_ | 5.34 Å | 0 | τ2; _alloy: Nb 0.666667, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 27; `ORC-57IQNAQSEG.01d313` |  |
| Lattice a; _printed: a_ | 4.8 Å | 0 | τ2; _alloy: Nb 0.333333, Zr 0_ | model | [1] Lu 2017; _cites Liu 2012_ [doi](https://doi.org/10.1016/j.calphad.2012.03.004) | Table 2, p. 3, row 26; `ORC-B7PRVRXM5Q.a5984d` |  |
| Lattice a; _printed: a_ | 4.76 Å | 0 | τ2; _alloy: Nb 0.333333, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 25; `ORC-D7Y7YFBNG5.2c3840` |  |
| Lattice a; _printed: a_ | 5 Å | 0 | τ2; _alloy: Nb 0, Zr 0.333333_ | model | [1] Lu 2017; _cites Kawsar 2016_ | Table 2, p. 3, row 15; `ORC-EOUP4KN6BX.f84bbe` |  |
| Lattice a; _printed: a_ | 5.42 Å | 0 | τ2; _alloy: Nb 0.666667, Zr 0_ | model | [1] Lu 2017; _cites Liu 2012_ [doi](https://doi.org/10.1016/j.calphad.2012.03.004) | Table 2, p. 3, row 28; `ORC-GT6TC7KMA3.af0da8` |  |
| Lattice a; _printed: a_ | 4.55 Å | 0 | τ2; _alloy: Nb 0, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 19; `ORC-OUT6CEN2PW.749a0d` |  |
| Lattice a; _printed: a_ | 5.57 Å | 0 | τ2; _alloy: Nb 0, Zr 0.666667_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 16; `ORC-PQLLKITIYO.7b8a63` |  |
| Lattice a; _printed: a_ | 4.68 Å | 0 | τ2; _alloy: Nb 0, Zr 0_ | model | [1] Lu 2017; _cites Liu 2012_ [doi](https://doi.org/10.1016/j.calphad.2012.03.004) | Table 2, p. 3, row 20; `ORC-YLUDOVQFR6.a14c87` |  |
| Lattice a; _printed: a_ | 4.97 Å | 0 | τ2; _alloy: Nb 0, Zr 0.333333_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 14; `ORC-ZDLMM7NLN7.d3f1e7` |  |
| Lattice c; _printed: c_ | 16.17 Å | 0 | C36; _alloy: Nb 0, Zr 0.333333_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 29; `ORC-6JV6SVCEFA.d80ab7` |  |
| Lattice c; _printed: c_ | 15.57 Å | 0 | C36; _alloy: Nb 0.333333, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 37; `ORC-7JTQQA23HD.d74aca` |  |
| Lattice c; _printed: c_ | 16.23 Å | 0 | C36; _alloy: Nb 0, Zr 0.333333_ | model | [1] Lu 2017; _cites Kawsar 2016_ | Table 2, p. 3, row 30; `ORC-F4QACI2XVY.6baa21` |  |
| Lattice c; _printed: c_ | 15.17 Å | 0 | C36; _alloy: Nb 0, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 34; `ORC-QJNEKRXF7P.13c4c1` |  |
| Lattice c; _printed: c_ | 17.02 Å | 0 | C36; _alloy: Nb 0, Zr 0.666667_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 31; `ORC-U2K2SP3AS4.ce1c79` |  |
| Lattice c; _printed: c_ | 17.15 Å | 0 | C36; _alloy: Nb 0.666667, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 38; `ORC-XIWDAYK7VP.200f5c` |  |
| Lattice c; _printed: c_ | 8.21 Å | 0 | τ2; _alloy: Nb 0.666667, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 27; `ORC-57IQNAQSEG.4c11dd` |  |
| Lattice c; _printed: c_ | 7.89 Å | 0 | τ2; _alloy: Nb 0.333333, Zr 0_ | model | [1] Lu 2017; _cites Liu 2012_ [doi](https://doi.org/10.1016/j.calphad.2012.03.004) | Table 2, p. 3, row 26; `ORC-B7PRVRXM5Q.40250c` |  |
| Lattice c; _printed: c_ | 7.83 Å | 0 | τ2; _alloy: Nb 0.333333, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 25; `ORC-D7Y7YFBNG5.0daa6a` |  |
| Lattice c; _printed: c_ | 8.12 Å | 0 | τ2; _alloy: Nb 0, Zr 0.333333_ | model | [1] Lu 2017; _cites Kawsar 2016_ | Table 2, p. 3, row 15; `ORC-EOUP4KN6BX.b1deda` |  |
| Lattice c; _printed: c_ | 8.59 Å | 0 | τ2; _alloy: Nb 0.666667, Zr 0_ | model | [1] Lu 2017; _cites Liu 2012_ [doi](https://doi.org/10.1016/j.calphad.2012.03.004) | Table 2, p. 3, row 28; `ORC-GT6TC7KMA3.63e29e` |  |
| Lattice c; _printed: c_ | 7.34 Å | 0 | τ2; _alloy: Nb 0, Zr 0_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 19; `ORC-OUT6CEN2PW.b8012a` |  |
| Lattice c; _printed: c_ | 8.72 Å | 0 | τ2; _alloy: Nb 0, Zr 0.666667_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 16; `ORC-PQLLKITIYO.988704` |  |
| Lattice c; _printed: c_ | 7.62 Å | 0 | τ2; _alloy: Nb 0, Zr 0_ | model | [1] Lu 2017; _cites Liu 2012_ [doi](https://doi.org/10.1016/j.calphad.2012.03.004) | Table 2, p. 3, row 20; `ORC-YLUDOVQFR6.c4b871` |  |
| Lattice c; _printed: c_ | 8.1 Å | 0 | τ2; _alloy: Nb 0, Zr 0.333333_ | DFT | [1] Lu 2017 | Table 2, p. 3, row 14; `ORC-ZDLMM7NLN7.924b42` |  |

## Sources

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

1. Hai-Jin Lu, Nan Zou, Xu-Shan Zhao, Jian-Yun Shen, Xiao-Gang Lu, Yan-Lin He, Thermodynamic investigation of the Zr-Fe-Nb system and its applications, Intermetallics 88, 91-100 (2017). [doi:10.1016/j.intermet.2017.05.008](https://doi.org/10.1016/j.intermet.2017.05.008)

## 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 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_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/).