# Hf system

> Hf system: 89 accepted literature values (crystal structure 58, mixing / partial 18, invariant reaction 8, formation 5) and 0 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

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89 accepted literature values from 10 paper(s) (experimental 19, model 15, DFT 40, unspecified 15); 0 calculated phase diagram(s).

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Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 19 |
| model | 15 |
| DFT | 40 |
| unspecified | 15 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| invariant reaction | 8 |
| formation | 5 |
| mixing / partial | 18 |
| crystal structure | 58 |

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the Hf system (8)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 2073 | polymorphic: βHf \<-> αHf | βHf: ; αHf:  | experimental | [1] Bittermann 1997; _cites ref. 65Rud1_ | Table 1, p. 2, row 19; `ORC-QWHXWTDLRG` |  |
| 2050 | polymorphic: βHf \<-> αHf | βHf: ; αHf:  | experimental | [1] Bittermann 1997; _cites ref. 71Por_ | Table 1, p. 2, row 20; `ORC-WZDQPP4YUN` |  |
| 2043 | polymorphic: βHf \<-> αHf | βHf: ; αHf:  | experimental | [2] Bittermann 1997; _cites Rudy 1965_ | Table 1, p. 2, row 1; `ORC-3T74HA3OX4` |  |
| 2016.15 | bcc(Hf)->hcp(Hf) | bcc(Hf):  | model | [3] Yang 2003 | Table 3, p. 3, row 18; `ORC-RHVKBAYNCZ` |  |
| 2016.15 | bcc(Hf)->hcp(Hf) |  | experimental | [3] Yang 2003; _cites Brukl 1968_ | Table 3, p. 3, row 19; `ORC-YOV3S464NN` |  |
| 2016 | polymorphic: βHf \<-> αHf | βHf: ; αHf:  | model | [1] Bittermann 1997 | Table 1, p. 2, row 21; `ORC-6T5DCUFS7K` |  |
| 2016 | polymorphic: βHf \<-> αHf | βHf: ; αHf:  | unspecified | [2] Bittermann 1997; _cites ref. 2_ | Table 1, p. 2, row 2; `ORC-GRDY3BUJ66` |  |
| 2016 | polymorphic: βHf \<-> αHf | βHf: ; αHf:  | model | [2] Bittermann 1997 | Table 1, p. 2, row 3; `ORC-PHU2SOE5CQ` |  |

## 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, Hf system (5)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| A3-Hf |  | 0 kJ/mol (basis unstated) | 0 | DFT |  |  | [4] Berche 2016 | Table 2, p. 4, row 2; `ORC-KK7EJAUGXF.42068c` |  |
| λ |  | -38.22 kJ/mol-atom | 1723 | model |  |  | [5] Idbenali 2008 | Table 2, p. 3, row 16; `ORC-5HP7QEQD47` |  |
| λ |  | -38 kJ/mol-atom ± 2.7 | 1723 | experimental |  |  | [5] Idbenali 2008; _cites Mahdouk 1995_ | Table 2, p. 3, row 13; `ORC-3YJJYC3JGE` |  |
| λ |  | -23 kJ/mol-atom |  | model |  |  | [5] Idbenali 2008; _cites F 1988_ | Table 2, p. 3, row 15; `ORC-IQKD2HWIVK` |  |
| λ |  | -21 kJ/mol-atom |  | model |  |  | [5] Idbenali 2008; _cites Colinet 1985_ [doi](https://doi.org/10.1016/0364-5916%2885%2990032-x) | Table 2, p. 3, row 14; `ORC-XYEHWQH57I` |  |

## Other properties

### Mixing / partial (18)

Table: Mixing / partial, Hf system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Enthalpy of mixing; _printed: ΔH^mix_ | -61.928 kJ/mol-atom | 0 | α-Hf SQS | DFT | [6] Shin 2006 | Table 6, p. 7, row 1; `ORC-2YZOFV56CJ.00f1fd` |  |
| Enthalpy of mixing; _printed: ΔH^mix_ | -61.2715 kJ/mol-atom | 0 | α-Hf SQS | DFT | [6] Shin 2006 | Table 6, p. 7, row 2; `ORC-3W2Z54QUS2.44d27e` |  |
| Enthalpy of mixing; _printed: ΔH^mix_ | -107.768 kJ/mol-atom | 0 | α-Hf SQS | DFT | [6] Shin 2006 | Table 6, p. 7, row 8; `ORC-AKPZ4D6H7J.ee0fb8` |  |
| Enthalpy of mixing; _printed: ΔH^mix_ | -108.075 kJ/mol-atom | 0 | α-Hf SQS | DFT | [6] Shin 2006 | Table 6, p. 7, row 4; `ORC-DEO5HUNULG.b6782f` |  |
| Enthalpy of mixing; _printed: ΔH^mix_ | -144.356 kJ/mol-atom | 0 | α-Hf SQS | DFT | [6] Shin 2006 | Table 6, p. 7, row 10; `ORC-DRRHQC5ZIR.334d00` |  |
| Enthalpy of mixing; _printed: ΔH^mix_ | -107.818 kJ/mol-atom | 0 | α-Hf SQS | DFT | [6] Shin 2006 | Table 6, p. 7, row 6; `ORC-DS2NGVBTBD.40f1a7` |  |
| Enthalpy of mixing; _printed: ΔH^mix_ | -146.428 kJ/mol-atom | 0 | α-Hf SQS | DFT | [6] Shin 2006 | Table 6, p. 7, row 9; `ORC-KHGATN33HO.7ddabe` |  |
| Enthalpy of mixing; _printed: ΔH^mix_ | -109.187 kJ/mol-atom | 0 | α-Hf SQS | DFT | [6] Shin 2006 | Table 6, p. 7, row 5; `ORC-MAC2376W6S.42e838` |  |
| Enthalpy of mixing; _printed: ΔH^mix_ | -109.481 kJ/mol-atom | 0 | α-Hf SQS | DFT | [6] Shin 2006 | Table 6, p. 7, row 3; `ORC-ND54NP3FBI.91e8ad` |  |
| Enthalpy of mixing; _printed: ΔH^mix_ | -109.23 kJ/mol-atom | 0 | α-Hf SQS | DFT | [6] Shin 2006 | Table 6, p. 7, row 7; `ORC-THBFWIV4FE.a52327` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | -176.866 kJ/mol-atom | 0 | β-Hf | DFT | [6] Shin 2006 | Table 7, p. 7, row 12; `ORC-6AMQE2AFOK.28507f` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | -181.908 kJ/mol-atom | 0 | β-Hf | DFT | [6] Shin 2006 | Table 7, p. 7, row 16; `ORC-A7A3F6TKIV.49d53e` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | -307.1 kJ/mol-atom | 0 | β-Hf | DFT | [6] Shin 2006 | Table 7, p. 7, row 15; `ORC-CTTAQNNYO7.92db8b` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | -311.16 kJ/mol-atom | 0 | β-Hf | DFT | [6] Shin 2006 | Table 7, p. 7, row 13; `ORC-FTVXGSEMQ5.218976` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | -139.345 kJ/mol-atom | 0 | β-Hf | DFT | [6] Shin 2006 | Table 7, p. 7, row 10; `ORC-MKVYONNEQE.cb21b1` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | -180.37 kJ/mol-atom | 0 | β-Hf | DFT | [6] Shin 2006 | Table 7, p. 7, row 14; `ORC-O4EMLPFSLV.b41ab9` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | -227.299 kJ/mol-atom | 0 | β-Hf | DFT | [6] Shin 2006 | Table 7, p. 7, row 9; `ORC-QLXWW26LQG.5a00f8` |  |
| Enthalpy of mixing; _printed: ΔHmix_ | -315.52 kJ/mol-atom | 0 | β-Hf | DFT | [6] Shin 2006 | Table 7, p. 7, row 11; `ORC-VI7XZOVZ3W.4892ab` |  |

### Crystal structure (58)

Table: Crystal structure, Hf system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a | 3.192 Å |  | (αHf); _alloy: Hf 1_ | unspecified | [7] Tang 2014 | Table 4, p. 5, row 3; `ORC-G6BOWG6HHB.2981fe` |  |
| Lattice a | 3.532 Å |  | (βHf); _alloy: Hf 1_ | unspecified | [7] Tang 2014 | Table 4, p. 5, row 5; `ORC-XOLDWVQYZQ.b8ebe9` |  |
| Lattice a; _printed: a_ | 3.2 Å | 0 | A3-Hf | DFT | [4] Berche 2016 | Table 2, p. 4, row 2; `ORC-P2WKLNVONK.af8db0` |  |
| Lattice a | 3.537 Å |  | Hf (bcc) | DFT | [8] Lieser 2012 | Table 1, p. 4, row 1; `ORC-PV5OYN6LTH` |  |
| Lattice a | 3.538 Å |  | Hf (bcc) | model | [8] Lieser 2012; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.calphad.2004.05.002) | Table 1, p. 4, row 3; `ORC-WBLSX3T5HG` |  |
| Lattice a | 3.2 Å |  | Hf (hcp) | model | [8] Lieser 2012; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.calphad.2004.05.002) | Table 1, p. 4, row 6; `ORC-HI5ZUOSSRW.b59d80` |  |
| Lattice a | 3.2 Å |  | Hf (hcp) | DFT | [8] Lieser 2012 | Table 1, p. 4, row 4; `ORC-I76XBELOMP.4d46dd` |  |
| Lattice a | 5.6953 Å | 0 | Hf2Hf (C14); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 38; `ORC-J5H7UN4VH3.725708` |  |
| Lattice a | 5.6953 Å |  | Hf2Hf (C14); _alloy: Hf 1_ | unspecified | [9] Pavlů 2010 | Table 2, p. 3, row 7; `ORC-RXHDNYUTKM.1cfa1a` |  |
| Lattice a | 8.1572 Å | 0 | Hf2Hf (C15); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 39; `ORC-BVT7HWJL7W.829104` |  |
| Lattice a | 5.6926 Å |  | Hf2Hf (C36); _alloy: Hf 1_ | unspecified | [9] Pavlů 2010 | Table 2, p. 3, row 14; `ORC-QFDI6WYEZA.7aaa80` |  |
| Lattice a | 5.6926 Å | 0 | Hf2Hf (C36); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 45; `ORC-W6S6N67OCQ.17f3ac` |  |
| Lattice a | 3.1948 Å |  | NM HCP Hf; _alloy: Hf 1_ | unspecified | [9] Pavlů 2010 | Table 1, p. 3, row 4; `ORC-76Q3M2UO3R.7168d7` |  |
| Lattice a | 3.1948 Å |  | NM HCP Hf; _alloy: Hf 1_ | unspecified | [9] Pavlů 2010 | Table 1, p. 3, row 9; `ORC-NQW6I3PRQL.47eaec` |  |
| Lattice a | 3.197 Å | 298.15 | (αHf); _alloy: Hf 1_ | experimental | [7] Tang 2014; _cites Markin 1983_ | Table 4, p. 5, row 1; `ORC-Z3HH7N36FZ.534465` |  |
| Lattice a | 3.5 Å | 298.15 | (βHf); _alloy: Hf 1_ | experimental | [7] Tang 2014; _cites Duwez 1951_ [doi](https://doi.org/10.1063/1.1700127) | Table 4, p. 5, row 4; `ORC-P2EMNU7QKJ.406735` |  |
| Lattice a | 3.61 Å | 298.15 | (βHf); _alloy: Hf 1_ | unspecified | [2] Bittermann 1997; _cites ref. 2_ | Table 2, p. 2, row 2; `ORC-SF5SKVM2FU` |  |
| Lattice a | 3.5 Å | 298.15 | Hf (bcc) | experimental | [8] Lieser 2012; _cites Duwez 1951_ [doi](https://doi.org/10.1063/1.1700127) | Table 1, p. 4, row 2; `ORC-ESWMWWRANN` |  |
| Lattice a | 3.1952 Å | 298.15 | Hf (hcp) | experimental | [8] Lieser 2012; _cites Duwez 1951_ [doi](https://doi.org/10.1063/1.1700127) | Table 1, p. 4, row 5; `ORC-BYWEHPF52Z.661006` |  |
| Lattice a | 3.23 Å | 298.15 | NM HCP Hf; _alloy: Hf 1_ | experimental | [9] Pavlů 2010; _cites Villars 1991_ | Table 1, p. 3, row 3; `ORC-MTN7L5MJMI.7039c5` |  |
| Lattice a | 3.195 Å | 298.15 | α(HfxZr1-x); _α(HfxZr1-x): Hf 1_ | experimental | [10] Bittermann 2002; _cites Russell 1953_ [doi](https://doi.org/10.1063/1.1721254) | Table 1, p. 4, row 13; `ORC-6EECFQUAAU.098d6e` |  |
| Lattice a | 3.19 Å | 298.15 | α(HfxZr1-x); _α(HfxZr1-x): Hf 1_ | experimental | [10] Bittermann 2002; _cites Ming 1981_ [doi](https://doi.org/10.1063/1.329760) | Table 1, p. 4, row 8; `ORC-XYHCK3YSIT.4eab5d` |  |
| Lattice a | 0.31946 not_printed | 298.15 | αHf; _alloy: Hf 1_ | model | [1] Bittermann 1997; _cites Massalski 1990_ | Table 2, p. 3, row 2; `ORC-56XB6UO245.809860` |  |
| Lattice a | 0.361 not_printed | 298.15 | βHf; _alloy: Hf 1_ | model | [1] Bittermann 1997; _cites Massalski 1990_ | Table 2, p. 3, row 3; `ORC-KIDG6QWURJ` |  |
| Lattice a | 3.206 Å | 1373.15 | (αHf); _alloy: Hf 1_ | experimental | [7] Tang 2014 | Table 4, p. 5, row 2; `ORC-YCTR5ZNSZW.6c3f94` |  |
| Lattice a | 3.1946 Å | 1743 (\<) | α(HfxZr1-x); _α(HfxZr1-x): Hf 1_ | model | [10] Bittermann 2002; _cites Massalski 1990_ | Table 1, p. 4, row 2; `ORC-CWO6VQU3TT.6209c6` |  |
| Lattice a | 3.61 Å | 1987 | (βHf); _alloy: Hf 1_ | model | [10] Bittermann 2002; _cites Massalski 1990_ | Table 1, p. 4, row 15; `ORC-ZBU7PUPHJU` |  |
| Lattice c | 5.046 Å |  | (αHf); _alloy: Hf 1_ | unspecified | [7] Tang 2014 | Table 4, p. 5, row 3; `ORC-G6BOWG6HHB.4ad0dd` |  |
| Lattice c; _printed: c_ | 5.064 Å | 0 | A3-Hf | DFT | [4] Berche 2016 | Table 2, p. 4, row 2; `ORC-P2WKLNVONK.2840bc` |  |
| Lattice c | 9.505 Å | 0 | Hf2Hf (C14); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 38; `ORC-J5H7UN4VH3.6d751f` |  |
| Lattice c | 9.505 Å |  | Hf2Hf (C14); _alloy: Hf 1_ | unspecified | [9] Pavlů 2010 | Table 2, p. 3, row 7; `ORC-RXHDNYUTKM.6e5ba0` |  |
| Lattice c | 19.1581 Å |  | Hf2Hf (C36); _alloy: Hf 1_ | unspecified | [9] Pavlů 2010 | Table 2, p. 3, row 14; `ORC-QFDI6WYEZA.e9b1b7` |  |
| Lattice c | 19.1581 Å | 0 | Hf2Hf (C36); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 45; `ORC-W6S6N67OCQ.511b84` |  |
| Lattice c | 5.0434 Å |  | NM HCP Hf; _alloy: Hf 1_ | unspecified | [9] Pavlů 2010 | Table 1, p. 3, row 4; `ORC-76Q3M2UO3R.39004c` |  |
| Lattice c | 5.0434 Å |  | NM HCP Hf; _alloy: Hf 1_ | unspecified | [9] Pavlů 2010 | Table 1, p. 3, row 9; `ORC-NQW6I3PRQL.3287f3` |  |
| Lattice c | 5.058 Å | 298.15 | (αHf); _alloy: Hf 1_ | experimental | [7] Tang 2014; _cites Markin 1983_ | Table 4, p. 5, row 1; `ORC-Z3HH7N36FZ.3d1455` |  |
| Lattice c | 5.12 Å | 298.15 | NM HCP Hf; _alloy: Hf 1_ | experimental | [9] Pavlů 2010; _cites Villars 1991_ | Table 1, p. 3, row 3; `ORC-MTN7L5MJMI.2389b3` |  |
| Lattice c | 5.051 Å | 298.15 | α(HfxZr1-x); _α(HfxZr1-x): Hf 1_ | experimental | [10] Bittermann 2002; _cites Russell 1953_ [doi](https://doi.org/10.1063/1.1721254) | Table 1, p. 4, row 13; `ORC-6EECFQUAAU.5adc1f` |  |
| Lattice c | 5.067 Å | 298.15 | α(HfxZr1-x); _α(HfxZr1-x): Hf 1_ | experimental | [10] Bittermann 2002; _cites Ming 1981_ [doi](https://doi.org/10.1063/1.329760) | Table 1, p. 4, row 8; `ORC-XYHCK3YSIT.7a334f` |  |
| Lattice c | 0.5051 not_printed | 298.15 | αHf; _alloy: Hf 1_ | model | [1] Bittermann 1997; _cites Massalski 1990_ | Table 2, p. 3, row 2; `ORC-56XB6UO245.d632dd` |  |
| Lattice c | 5.085 Å | 1373.15 | (αHf); _alloy: Hf 1_ | experimental | [7] Tang 2014 | Table 4, p. 5, row 2; `ORC-YCTR5ZNSZW.012a7a` |  |
| Lattice c | 5.051 Å | 1743 (\<) | α(HfxZr1-x); _α(HfxZr1-x): Hf 1_ | model | [10] Bittermann 2002; _cites Massalski 1990_ | Table 1, p. 4, row 2; `ORC-CWO6VQU3TT.14854c` |  |
| lattice 4e z | 0.0999 not_printed | 0 | Hf2Hf (C36); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 45; `ORC-W6S6N67OCQ.79c1a0` |  |
| lattice 4f z | 0.054 not_printed | 0 | Hf2Hf (C14); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 38; `ORC-J5H7UN4VH3.dbf6d6` |  |
| lattice 4f z 1 | 0.8487 not_printed | 0 | Hf2Hf (C36); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 45; `ORC-W6S6N67OCQ.13d717` |  |
| lattice 4f z 2 | 0.1302 not_printed | 0 | Hf2Hf (C36); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 45; `ORC-W6S6N67OCQ.79f8aa` |  |
| lattice 6h x | 0.8267 not_printed | 0 | Hf2Hf (C14); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 38; `ORC-J5H7UN4VH3.d995db` |  |
| lattice 6h x | 0.1589 not_printed | 0 | Hf2Hf (C36); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 45; `ORC-W6S6N67OCQ.3a6267` |  |
| lattice 6h y | 0.6535 not_printed | 0 | Hf2Hf (C14); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 38; `ORC-J5H7UN4VH3.b48349` |  |
| lattice 6h y | 0.3177 not_printed | 0 | Hf2Hf (C36); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 45; `ORC-W6S6N67OCQ.51d718` |  |
| lattice c a | 1.58 not_printed |  | Hf (hcp) | model | [8] Lieser 2012; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.calphad.2004.05.002) | Table 1, p. 4, row 6; `ORC-HI5ZUOSSRW.594350` |  |
| lattice c a | 1.58 not_printed |  | Hf (hcp) | DFT | [8] Lieser 2012 | Table 1, p. 4, row 4; `ORC-I76XBELOMP.ec13e0` |  |
| lattice c a | 1.5787 not_printed |  | NM HCP Hf; _alloy: Hf 1_ | unspecified | [9] Pavlů 2010 | Table 1, p. 3, row 9; `ORC-NQW6I3PRQL.79e5ae` |  |
| lattice c a | 1.5827 not_printed | 298.15 | Hf (hcp) | experimental | [8] Lieser 2012; _cites Duwez 1951_ [doi](https://doi.org/10.1063/1.1700127) | Table 1, p. 4, row 5; `ORC-BYWEHPF52Z.74fa10` |  |
| lattice v atom | 2.225 10^7 pm^3 | 0 | Hf2Hf (C14); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 38; `ORC-J5H7UN4VH3.642365` |  |
| lattice v atom | 2.26154 10^7 pm^3 | 0 | Hf2Hf (C15); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 39; `ORC-BVT7HWJL7W.0ee2e8` |  |
| lattice v atom | 2.24022 10^7 pm^3 | 0 | Hf2Hf (C36); _alloy: Hf 1_ | DFT | [9] Pavlů 2010 | Table 2, p. 3, row 45; `ORC-W6S6N67OCQ.14304b` |  |
| lattice v atom | 2.22896 10^7 pm^3 |  | NM HCP Hf; _alloy: Hf 1_ | unspecified | [9] Pavlů 2010 | Table 1, p. 3, row 9; `ORC-NQW6I3PRQL.4ca020` |  |

## Sources

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

1. H. Bittermann, P. Rogl, Critical assessment and thermodynamic calculation of the ternary system boron-hafnium-titanium (B-Hf-Ti), JPE 18, 24-47 (1997). [doi:10.1007/bf02646757](https://doi.org/10.1007/bf02646757)
2. H. Bittermann, P. Rogl, Critical assessment and thermodynamic calculation of the binary system hafnium-carbon (Hf-C), JPE 18, 344-356 (1997). [doi:10.1007/s11669-997-0061-3](https://doi.org/10.1007/s11669-997-0061-3)
3. Y Yang, Y.A Chang, J.-C Zhao, B.P Bewlay, Thermodynamic modeling of the Nb–Hf–Si ternary system, Intermetallics 11, 407-415 (2003). [doi:10.1016/s0966-9795(03)00021-9](https://doi.org/10.1016/s0966-9795%2803%2900021-9)
4. A. Berche, J.C. Tédenac, P. Jund, Phase diagram and enthalpy of formation of Hf-Ni-Sn, Computational Materials Science 125, 271-277 (2016). [doi:10.1016/j.commatsci.2016.08.042](https://doi.org/10.1016/j.commatsci.2016.08.042)
5. M. Idbenali, N. Selhaoui, L. Bouirden, C. Servant, Thermodynamic assessment of the Fe–Hf binary system, Journal of Alloys and Compounds 456, 151-158 (2008). [doi:10.1016/j.jallcom.2007.02.036](https://doi.org/10.1016/j.jallcom.2007.02.036)
6. Dongwon Shin, Raymundo Arróyave, Zi-Kui Liu, Thermodynamic modeling of the Hf–Si–O system, Calphad 30, 375-386 (2006). [doi:10.1016/j.calphad.2006.08.006](https://doi.org/10.1016/j.calphad.2006.08.006)
7. Ying Tang, Biao Hu, Jiong Wang, Yong Du, Kaiming Cheng, Dandan Liu et al., Experimental investigation and thermodynamic assessment of the Hf–Ge system, J Mater Sci 49, 1306-1316 (2014). [doi:10.1007/s10853-013-7814-7](https://doi.org/10.1007/s10853-013-7814-7)
8. Alyson C. Lieser, Chelsey L. Zacherl, Arkapol Saengdeejing, Zi-Kui Liu, Laszlo J. Kecskes, First-principles calculations and thermodynamic re-modeling of the Hf–W system, Calphad 38, 92-99 (2012). [doi:10.1016/j.calphad.2012.04.005](https://doi.org/10.1016/j.calphad.2012.04.005)
9. J. Pavlů, J. Vřešt’ál, M. Šob, Thermodynamic modeling of Laves phases in the Cr–Hf and Cr–Ti systems: Reassessment using first-principles results, Calphad 34, 215-221 (2010). [doi:10.1016/j.calphad.2010.03.003](https://doi.org/10.1016/j.calphad.2010.03.003)
10. H. Bittermann, P. Rogl, Critical assessment and thermodynamic calculation of the ternary system C-Hf-Zr (Carbon-Zirconium-Hafnium), JPE 23, 218-235 (2002). [doi:10.1361/105497102770331703](https://doi.org/10.1361/105497102770331703)

## 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/).