# H–Ti system

> H–Ti system: 86 accepted literature values (crystal structure 42, formation 25, invariant reaction 10, heat capacity / entropy / enthalpy 9) and 0 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

HTML: https://data.orchid-project.org/systems/H-TI.html · Markdown: https://data.orchid-project.org/systems/H-TI.md

86 accepted literature values from 3 paper(s) (experimental 7, model 27, DFT 41, unspecified 11); 0 calculated phase diagram(s). 3 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/H-TI.json) · [CSV](https://data.orchid-project.org/systems/H-TI.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#H-TI) · [phases (7)](https://data.orchid-project.org/phases/pages/H-TI.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/H-TI.html) · [Markdown](https://data.orchid-project.org/systems/H-TI.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 7 |
| model | 27 |
| DFT | 41 |
| unspecified | 11 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| invariant reaction | 10 |
| formation | 25 |
| heat capacity / entropy / enthalpy | 9 |
| crystal structure | 42 |

Convex hulls: [Materials Project DFT hull](https://data.orchid-project.org/hulls/dft-mp/H/H-TI.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/H/H-TI.json) · [CALPHAD hull TiH-00Koe](https://data.orchid-project.org/hulls/calphad-sgte/H/H-TI--TiH-00Koe.json) · [CALPHAD hull TiH-07Uki](https://data.orchid-project.org/hulls/calphad-sgte/H/H-TI--TiH-07Uki.json) · [CALPHAD hull TiH-08Qiu](https://data.orchid-project.org/hulls/calphad-sgte/H/H-TI--TiH-08Qiu.json) · [CALPHAD hull TiH-87Kiv](https://data.orchid-project.org/hulls/calphad-sgte/H/H-TI--TiH-87Kiv.json)

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the H–Ti system (10)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 1070.33 | δ \<=> β + liquid |  | model | [1] Wang 2010 | Table 4, p. 5, row 9; `ORC-6SLSLDRTQ5` |  |
| 1070.15 | δ \<=> β + liquid |  | unspecified | [1] Wang 2010; _cites Yuh 1991_ | Table 4, p. 5, row 10; `ORC-QM65AQ5V43` |  |
| 725.47 | eutectic: L1 -> L2(H2) + δ |  | model | [1] Wang 2010 | Table 4, p. 5, row 7; `ORC-GEOW6AZWG7` |  |
| 720 | eutectic: L1 -> L2(H2) + δ |  | unspecified | [1] Wang 2010; _cites Yuh 1991_ | Table 4, p. 5, row 8; `ORC-VUQTJZK73W` |  |
| 586.16 | β \<=> α + δ |  | model | [1] Wang 2010 | Table 4, p. 5, row 1; `ORC-PPX6DOSMOS` |  |
| 580.16 | β \<=> α + δ |  | unspecified | [1] Wang 2010; _cites Shusuke 2007_ | Table 4, p. 5, row 4; `ORC-W5CH24KX7U` |  |
| 571.98 | β \<=> α + δ |  | model | [1] Wang 2010; _cites Caian 2008_ | Table 4, p. 5, row 5; `ORC-7XKVKGMNK6` |  |
| 561.32 | β \<=> α + δ |  | model | [1] Wang 2010; _cites E Konigsberger 2000_ | Table 4, p. 5, row 3; `ORC-NSEUFAEV5N` |  |
| 554 | β \<=> α + δ |  | experimental | [1] Wang 2010; _cites Mcquillan 1950_ | Table 4, p. 5, row 6; `ORC-DWI2DPAI4M` |  |
| 552.8 | β \<=> α + δ |  | unspecified | [1] Wang 2010; _cites Kivilahti 1987_ [doi](https://doi.org/10.1016/0364-5916%2887%2990014-9) | Table 4, p. 5, row 2; `ORC-V47YK6BZ6A` |  |

## 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, H–Ti system (23)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| TiH2 |  | -179 kJ/mol (basis unstated) | 298.15 | experimental |  |  | [1] Wang 2010; _cites Dantzer 1983_ [doi](https://doi.org/10.1016/0022-3697%2883%2990130-0) | Table 3, p. 4, row 1; `ORC-B7ZDHYYC66.131f4f` |  |
| TiH2 |  | -165 kJ/mol (basis unstated) |  | unspecified |  |  | [1] Wang 2010; _cites Wang 1996_ | Table 3, p. 4, row 4; `ORC-GMPGOLQNGO.d8d306` |  |
| TiH2 |  | -151.2 kJ/mol (basis unstated) (range -179 to -123.4) | 298.15 | experimental |  |  | [2] Königsberger 2000; _cites San-Martin 1987_ | Table 2, p. 2, row 11; `ORC-AVILYADHHF` |  |
| TiH2 |  | -148 kJ/mol (basis unstated) |  | unspecified |  |  | [1] Wang 2010; _cites Tokujiro 2001_ | Table 3, p. 4, row 5; `ORC-WFU6AXC6RE.b2cbb6` |  |
| TiH2 |  | -146 kJ/mol (basis unstated) |  | model |  |  | [1] Wang 2010; _cites Caian 2008_ | Table 3, p. 4, row 9; `ORC-MWDKOVX35W.89abc2` |  |
| TiH2 |  | -142 kJ/mol (basis unstated) |  | model |  |  | [1] Wang 2010 | Table 3, p. 4, row 10; `ORC-HBDSM5SQGI.c2bd6e` |  |
| TiH2 |  | -139 kJ/mol (basis unstated) |  | model |  |  | [1] Wang 2010; _cites E Konigsberger 2000_ | Table 3, p. 4, row 7; `ORC-XLCEHCSWXG.2ba4ec` |  |
| TiH2 |  | -137 kJ/mol (basis unstated) | 298.15 | experimental |  |  | [1] Wang 2010; _cites Takeuchi 1966_ | Table 3, p. 4, row 2; `ORC-HLNQPCCOG6` |  |
| TiH2 |  | -136.95 kJ/mol (basis unstated) | 298.15 | experimental |  |  | [2] Königsberger 2000; _cites Dantzer 1983_ | Table 2, p. 2, row 10; `ORC-APHJ6TNAWH` |  |
| TiH2 |  | -134 kJ/mol (basis unstated) |  | unspecified |  |  | [1] Wang 2010; _cites Shusuke 2007_ | Table 3, p. 4, row 8; `ORC-QGCRTRSQFA.80195d` |  |
| TiH2 |  | -133.2 kJ/mol (basis unstated) |  | model |  |  | [2] Königsberger 2000 | Table 2, p. 2, row 9; `ORC-PP72ZRSTTA` |  |
| TiH2 |  | -129 kJ/mol (basis unstated) |  | model |  |  | [1] Wang 2010; _cites Kivilahti 1987_ [doi](https://doi.org/10.1016/0364-5916%2887%2990014-9) | Table 3, p. 4, row 6; `ORC-VW3TKZHTCV.5a1c3d` |  |
| α |  | -28.63 kJ/mol (basis unstated) |  | DFT |  |  | [3] Ukita 2007 | Table 1, p. 4, row 39; `ORC-DG2LFPDWMB` |  |
| α |  | -11.99 kJ/mol (basis unstated) |  | DFT |  |  | [3] Ukita 2007 | Table 1, p. 4, row 36; `ORC-5AZNP24WLN` |  |
| α |  | 2.524 kJ/mol (basis unstated) |  | DFT |  |  | [3] Ukita 2007 | Table 1, p. 4, row 44; `ORC-OW6VCKXMLP` |  |
| β |  | -46.4 kJ/mol (basis unstated) |  | DFT |  |  | [3] Ukita 2007 | Table 1, p. 4, row 48; `ORC-C2OO7VACTW` |  |
| β |  | -36.3 kJ/mol (basis unstated) |  | DFT |  |  | [3] Ukita 2007 | Table 1, p. 4, row 47; `ORC-BNFAKIIYUU` |  |
| β |  | -26.4 kJ/mol (basis unstated) |  | DFT |  |  | [3] Ukita 2007 | Table 1, p. 4, row 49; `ORC-NBYDRZGX4Y` |  |
| β |  | -16.4 kJ/mol (basis unstated) |  | DFT |  |  | [3] Ukita 2007 | Table 1, p. 4, row 46; `ORC-TQNVEPD2OU` |  |
| β |  | 1.3 kJ/mol (basis unstated) |  | DFT |  |  | [3] Ukita 2007 | Table 1, p. 4, row 50; `ORC-7ROOW7W2GN` |  |
| γ-TiH |  | -35.66 kJ/mol (basis unstated) |  | model |  |  | [3] Ukita 2007 | Table 2, p. 5, row 1; `ORC-F6PXL5FSCF.85b329` |  |
| δ-TiH2 |  | -47.1 kJ/mol (basis unstated) |  | model |  |  | [3] Ukita 2007 | Table 2, p. 5, row 2; `ORC-I5RSTY64YX.43c6bd` |  |
| ε-TiH2 |  | -47.3 kJ/mol (basis unstated) |  | model |  |  | [3] Ukita 2007 | Table 2, p. 5, row 3; `ORC-ESYL73AMOA.45a783` |  |

## Other properties

### Formation (2)

Table: Formation, H–Ti system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Entropy of formation; _printed: ΔfS° (TiH2)_ | -136.02 J/mol (basis unstated)/K |  | TiH2; _alloy: Ti 0.333333_ | model | [2] Königsberger 2000 | Table 2, p. 2, row 12; `ORC-LTPJUGEGVX` |  |
| Entropy of formation; _printed: ΔfS° (TiH2)_ | -135.25 J/mol (basis unstated)/K (range -145 to -125.5) | 298.15 | TiH2; _alloy: Ti 0.333333_ | experimental | [2] Königsberger 2000; _cites San-Martin 1987_ | Table 2, p. 2, row 13; `ORC-PYLZRN63BX` |  |

### Heat capacity / entropy / enthalpy (9)

Table: Heat capacity / entropy / enthalpy, H–Ti system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Entropy; _printed: ΔSf0(TiH2)_ | -145 J mol-1 K-1 |  | TiH2; _alloy: Ti 0.333333_ | experimental | [1] Wang 2010; _cites Dantzer 1983_ [doi](https://doi.org/10.1016/0022-3697%2883%2990130-0) | Table 3, p. 4, row 1; `ORC-B7ZDHYYC66.2e464a` |  |
| Entropy; _printed: ΔSf0(TiH2)_ | -174 J mol-1 K-1 |  | TiH2; _alloy: Ti 0.333333_ | unspecified | [1] Wang 2010; _cites Wang 1996_ | Table 3, p. 4, row 4; `ORC-GMPGOLQNGO.792567` |  |
| Entropy; _printed: ΔSf0(TiH2)_ | -139 J mol-1 K-1 |  | TiH2; _alloy: Ti 0.333333_ | model | [1] Wang 2010 | Table 3, p. 4, row 10; `ORC-HBDSM5SQGI.13f2b3` |  |
| Entropy; _printed: ΔSf0(TiH2)_ | -145 J mol-1 K-1 |  | TiH2; _alloy: Ti 0.333333_ | model | [1] Wang 2010; _cites Caian 2008_ | Table 3, p. 4, row 9; `ORC-MWDKOVX35W.6ac84d` |  |
| Entropy; _printed: ΔSf0(TiH2)_ | -142 J mol-1 K-1 |  | TiH2; _alloy: Ti 0.333333_ | unspecified | [1] Wang 2010; _cites San-Martin 1987_ [doi](https://doi.org/10.1007/bf02868888) | Table 3, p. 4, row 3; `ORC-PKJKGNHQZY` |  |
| Entropy; _printed: ΔSf0(TiH2)_ | -136 J mol-1 K-1 |  | TiH2; _alloy: Ti 0.333333_ | unspecified | [1] Wang 2010; _cites Shusuke 2007_ | Table 3, p. 4, row 8; `ORC-QGCRTRSQFA.a4dd79` |  |
| Entropy; _printed: ΔSf0(TiH2)_ | -130 J mol-1 K-1 |  | TiH2; _alloy: Ti 0.333333_ | model | [1] Wang 2010; _cites Kivilahti 1987_ [doi](https://doi.org/10.1016/0364-5916%2887%2990014-9) | Table 3, p. 4, row 6; `ORC-VW3TKZHTCV.d3f3af` |  |
| Entropy; _printed: ΔSf0(TiH2)_ | -152 J mol-1 K-1 |  | TiH2; _alloy: Ti 0.333333_ | unspecified | [1] Wang 2010; _cites Tokujiro 2001_ | Table 3, p. 4, row 5; `ORC-WFU6AXC6RE.e0fdba` |  |
| Entropy; _printed: ΔSf0(TiH2)_ | -136 J mol-1 K-1 |  | TiH2; _alloy: Ti 0.333333_ | model | [1] Wang 2010; _cites E Konigsberger 2000_ | Table 3, p. 4, row 7; `ORC-XLCEHCSWXG.05a6b1` |  |

### Crystal structure (42)

Table: Crystal structure, H–Ti system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a; _printed: lattice parameter a_ | 3.016 Å |  | α; _alloy: H 0.5, Ti 0.5_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 39; `ORC-7CGJ5JAW4L.009c24` |  |
| Lattice a; _printed: lattice parameter a_ | 2.871 Å |  | α; _alloy: H 0.25, Ti 0.75_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 36; `ORC-HTFBZZAKB2.f40858` |  |
| Lattice a; _printed: lattice parameter a_ | 6.449 Å |  | β; _alloy: H 0.8, Ti 0.2_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 50; `ORC-46R7KTNPWO.7179e7` |  |
| Lattice a; _printed: lattice parameter a_ | 3.194 Å |  | β; _alloy: H 0.75, Ti 0.25_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 49; `ORC-6ABQHAWUUA.80f8df` |  |
| Lattice a; _printed: lattice parameter a_ | 3.684 Å |  | β; _alloy: H 0.5, Ti 0.5_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 47; `ORC-N6EE3BEGVG.b8fca0` |  |
| Lattice a; _printed: lattice parameter a_ | 4.214 Å |  | γ-TiH; _alloy: Ti 0.5_ | model | [3] Ukita 2007 | Table 2, p. 5, row 1; `ORC-7CYQNSNHNI.006c4b` |  |
| Lattice a; _printed: lattice parameter a_ | 4.445 Å |  | δ-TiH2; _alloy: Ti 0.333333_ | model | [3] Ukita 2007 | Table 2, p. 5, row 2; `ORC-IOSTOSBON6.222a47` |  |
| Lattice a; _printed: lattice parameter a_ | 3.202 Å |  | ε-TiH2; _alloy: Ti 0.333333_ | model | [3] Ukita 2007 | Table 2, p. 5, row 3; `ORC-G26Z3CATZI.092b6d` |  |
| Lattice b; _printed: lattice parameter b_ | 14.91 Å |  | α; _alloy: H 0.5, Ti 0.5_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 39; `ORC-7CGJ5JAW4L.bde97c` |  |
| Lattice b; _printed: lattice parameter b_ | 15.643 Å |  | α; _alloy: H 0.25, Ti 0.75_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 36; `ORC-HTFBZZAKB2.d0177d` |  |
| Lattice b; _printed: lattice parameter b_ | 3.241 Å |  | β; _alloy: H 0.8, Ti 0.2_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 50; `ORC-46R7KTNPWO.d59717` |  |
| Lattice b; _printed: lattice parameter b_ | 5.368 Å |  | β; _alloy: H 0.75, Ti 0.25_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 49; `ORC-6ABQHAWUUA.e7c13e` |  |
| Lattice b; _printed: lattice parameter b_ | 4.551 Å |  | β; _alloy: H 0.5, Ti 0.5_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 47; `ORC-N6EE3BEGVG.60fc06` |  |
| Lattice b; _printed: lattice parameter b_ | 3.234 Å |  | β; _alloy: H 0.333, Ti 0.667_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 46; `ORC-W3TMASZIHA.0360ec` |  |
| Lattice b; _printed: b_ | 4.214 Å |  | γ-TiH; _alloy: Ti 0.5_ | model | [3] Ukita 2007 | Table 2, p. 5, row 1; `ORC-7CYQNSNHNI.9c2502` |  |
| Lattice b; _printed: b_ | 4.445 Å |  | δ-TiH2; _alloy: Ti 0.333333_ | model | [3] Ukita 2007 | Table 2, p. 5, row 2; `ORC-IOSTOSBON6.767534` |  |
| Lattice b; _printed: b_ | 3.202 Å |  | ε-TiH2; _alloy: Ti 0.333333_ | model | [3] Ukita 2007 | Table 2, p. 5, row 3; `ORC-G26Z3CATZI.44fb20` |  |
| Lattice c; _printed: lattice parameter c_ | 4.897 Å |  | α; _alloy: H 0.5, Ti 0.5_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 39; `ORC-7CGJ5JAW4L.39c28e` |  |
| Lattice c; _printed: lattice parameter c_ | 5.961 Å |  | α; _alloy: H 0.667, Ti 0.333_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 44; `ORC-BJ2UFOY7RH.bbaffa` |  |
| Lattice c; _printed: lattice parameter c_ | 4.663 Å |  | α; _alloy: H 0.25, Ti 0.75_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 36; `ORC-HTFBZZAKB2.596e45` |  |
| Lattice c; _printed: lattice parameter c_ | 3.153 Å |  | β; _alloy: H 0.8, Ti 0.2_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 50; `ORC-46R7KTNPWO.b19bde` |  |
| Lattice c; _printed: lattice parameter c_ | 5.507 Å |  | β; _alloy: H 0.75, Ti 0.25_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 49; `ORC-6ABQHAWUUA.dee198` |  |
| Lattice c; _printed: lattice parameter c_ | 4.039 Å |  | β; _alloy: H 0.667, Ti 0.333_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 48; `ORC-K5YFG6THC3.ad5995` |  |
| Lattice c; _printed: lattice parameter c_ | 4.643 Å |  | β; _alloy: H 0.5, Ti 0.5_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 47; `ORC-N6EE3BEGVG.ce2714` |  |
| Lattice c; _printed: c_ | 4.602 Å |  | γ-TiH; _alloy: Ti 0.5_ | model | [3] Ukita 2007 | Table 2, p. 5, row 1; `ORC-7CYQNSNHNI.b8cfb6` |  |
| Lattice c; _printed: c_ | 4.445 Å |  | δ-TiH2; _alloy: Ti 0.333333_ | model | [3] Ukita 2007 | Table 2, p. 5, row 2; `ORC-IOSTOSBON6.1d2d7b` |  |
| Lattice c; _printed: c_ | 4.279 Å |  | ε-TiH2; _alloy: Ti 0.333333_ | model | [3] Ukita 2007 | Table 2, p. 5, row 3; `ORC-G26Z3CATZI.c7b336` |  |
| lattice unspecified axis; _printed: α_ | 90 ° |  | α; _alloy: H 0.5, Ti 0.5_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 39; `ORC-7CGJ5JAW4L.c2fe88` |  |
| lattice unspecified axis; _printed: γ_ | 120 ° |  | α; _alloy: H 0.667, Ti 0.333_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 44; `ORC-BJ2UFOY7RH.5c1007` |  |
| lattice unspecified axis; _printed: lattice parameter a=b_ | 2.927 Å |  | α; _alloy: H 0.667, Ti 0.333_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 44; `ORC-BJ2UFOY7RH.84cad7` |  |
| lattice unspecified axis; _printed: α_ | 90 ° |  | α; _alloy: H 0.667, Ti 0.333_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 44; `ORC-BJ2UFOY7RH.dc5094` |  |
| lattice unspecified axis; _printed: α_ | 90 ° |  | α; _alloy: H 0.25, Ti 0.75_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 36; `ORC-HTFBZZAKB2.81cbda` |  |
| lattice unspecified axis; _printed: γ_ | 76.96 ° |  | β; _alloy: H 0.8, Ti 0.2_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 50; `ORC-46R7KTNPWO.33442f` |  |
| lattice unspecified axis; _printed: α_ | 118.76 ° |  | β; _alloy: H 0.8, Ti 0.2_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 50; `ORC-46R7KTNPWO.5c4d49` |  |
| lattice unspecified axis; _printed: β_ | 90.57 ° |  | β; _alloy: H 0.8, Ti 0.2_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 50; `ORC-46R7KTNPWO.eebfd7` |  |
| lattice unspecified axis; _printed: α_ | 90 ° |  | β; _alloy: H 0.75, Ti 0.25_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 49; `ORC-6ABQHAWUUA.7bcf87` |  |
| lattice unspecified axis; _printed: lattice parameter a=b_ | 3.232 Å |  | β; _alloy: H 0.667, Ti 0.333_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 48; `ORC-K5YFG6THC3.5346bf` |  |
| lattice unspecified axis; _printed: α_ | 90 ° |  | β; _alloy: H 0.667, Ti 0.333_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 48; `ORC-K5YFG6THC3.9967aa` |  |
| lattice unspecified axis; _printed: α_ | 90 ° |  | β; _alloy: H 0.5, Ti 0.5_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 47; `ORC-N6EE3BEGVG.06ebf6` |  |
| lattice unspecified axis; _printed: lattice parameter a=c_ | 4.763 Å |  | β; _alloy: H 0.333, Ti 0.667_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 46; `ORC-W3TMASZIHA.264b10` |  |
| lattice unspecified axis; _printed: α_ | 90 ° |  | β; _alloy: H 0.333, Ti 0.667_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 46; `ORC-W3TMASZIHA.39979f` |  |
| lattice unspecified axis; _printed: β_ | 95.1 ° |  | β; _alloy: H 0.333, Ti 0.667_ | DFT | [3] Ukita 2007 | Table 1, p. 4, row 46; `ORC-W3TMASZIHA.8d5c9c` |  |

## Sources

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

1. Kun Wang, Xiangcheng Kong, Junlin Du, Chonghe Li, Zhilin Li, Zhu Wu, Thermodynamic description of the Ti–H system, Calphad 34, 317-323 (2010). [doi:10.1016/j.calphad.2010.07.001](https://doi.org/10.1016/j.calphad.2010.07.001)
2. E. Königsberger, G. Eriksson, W.A. Oates, Optimisation of the thermodynamic properties of the Ti–H and Zr–H systems, Journal of Alloys and Compounds 299, 148-152 (2000). [doi:10.1016/s0925-8388(99)00816-6](https://doi.org/10.1016/s0925-8388%2899%2900816-6)
3. Shusuke Ukita, Hiroshi Ohtani, Mitsuhiro Hasebe, Thermodynamic Analysis of the Ti-H and Zr-H Binary Phase Diagrams, J. Japan Inst. Metals 71, 721-729 (2007). [doi:10.2320/jinstmet.71.721](https://doi.org/10.2320/jinstmet.71.721)

## 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-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); 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); 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.

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_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/).