# Ti system

> Ti system: 157 accepted literature values (crystal structure 76, heat capacity / entropy / enthalpy 57, formation 11, phase transition 10) and 0 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

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157 accepted literature values from 17 paper(s) (experimental 21, model 64, DFT 45, unspecified 27); 0 calculated phase diagram(s).

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Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 21 |
| model | 64 |
| DFT | 45 |
| unspecified | 27 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| phase transition | 10 |
| formation | 11 |
| mixing / partial | 3 |
| heat capacity / entropy / enthalpy | 57 |
| crystal structure | 76 |

## 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, Ti system (9)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| C14 Laves Ti2Ti |  | 25.227 kJ/mol-atom | 298.15 | model |  |  | [1] Zheng 2022 | Table 4, p. 6, row 17; `ORC-S735SE4AUD.f76efe` |  |
| C14 Laves Ti2Ti |  | 25.242 kJ/mol-atom | 0 | DFT |  |  | [1] Zheng 2022 | Table 4, p. 6, row 15; `ORC-6FKXW76CVC.693601` |  |
| C14 Laves Ti2Ti |  | 27.157 kJ/mol-atom | 0 | DFT |  |  | [1] Zheng 2022; _cites Khan 2016_ [doi](https://doi.org/10.1039/c6cp04542a) | Table 4, p. 6, row 16; `ORC-7G7UXSEZUY.6b4bd5` |  |
| C14 Laves Ti2Ti |  | 27.157 kJ/mol-atom | 298.15 | model |  |  | [1] Zheng 2022; _cites Khan 2016_ [doi](https://doi.org/10.1039/c6cp04542a) | Table 4, p. 6, row 18; `ORC-PNSUMNB5VP.f8a784` |  |
| Laves C14 |  | 5 kJ/mol (basis unstated) |  | model |  |  | [2] Liang 2024; _cites De 2009_ [doi](https://doi.org/10.1016/j.calphad.2008.10.003) | Table 4, p. 9, row 17; `ORC-CZ34AZGCEE` |  |
| Laves C14 |  | 27.4026 kJ/mol (basis unstated) | 0 | DFT |  |  | [2] Liang 2024 | Table 4, p. 9, row 16; `ORC-2HKOLWYEBC` |  |
| Laves C14 |  | 27.4026 kJ/mol-atom |  | model |  |  | [2] Liang 2024 | Table 2, p. 6, row 37; `ORC-A6YOGWTQCV` |  |
| Laves C14 |  | 27.4026 kJ/mol-atom | 0 | DFT |  |  | [2] Liang 2024 | Table 2, p. 6, row 36; `ORC-BLE5GGHL7A` |  |
| Laves C14 |  | 27.4026 kJ/mol (basis unstated) | 0 | DFT |  |  | [2] Liang 2024 | Table 4, p. 9, row 18; `ORC-T6K3MTNRSV` |  |

## Other properties

### Phase transition (10)

Table: Phase transition, Ti system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Phase transition | 1155 K | 1155 | Solubility of B in (αTi) | experimental | [3] Ma 2004; _cites Ogden 1951_ | Table 1, p. 2, row 1; `ORC-J746GXUE6O` |  |
| Phase transition | 1155 K | 1155 | polymorphic: βTi -> αTi; _βTi: Ti 1; αTi: Ti 1_ | model | [4] Bittermann 1997; _cites Baetzner 1994_ | Table 4, p. 5, row 9; `ORC-6SPTZSVIRB` |  |
| Phase transition | 1155.15 K | 1155.15 | polymorphic: (βTi) -> (αTi); _(βTi): Ti 1_ | model | [5] Murray 1986 | Table 1, p. 2, row 4; `ORC-VP4MWWN2VP` |  |
| Phase transition | 1156 K | 1156 | polymorphic: (βTi) -> (αTi); _(αTi): _ | model | [3] Ma 2004 | Table 5, p. 7, row 8; `ORC-2LWCB3RHI5` |  |
| Phase transition | 1159 K | 1159 | Solubility of B in (αTi) | experimental | [3] Ma 2004; _cites Palty 1954_ | Table 1, p. 2, row 2; `ORC-7N2H2N5RNS` |  |
| Phase transition | 1159 K | 1159 | polymorphic: hcp-Ti; _alloy: Ti 1_ | model | [6] Mattern 2014; _cites Murray 1987_ | Table 1, p. 3, row 4; `ORC-R5DRPZUETC` |  |
| Phase transition | 1813 K | 1813 | Solubility of B in (βTi) | experimental | [3] Ma 2004; _cites Rudy 1966_ | Table 1, p. 2, row 3; `ORC-QS6VR2ELKT` |  |
| Phase transition | 1941 K | 1941 | congruent melting: L -> βTi; _L: Ti 1; βTi: Ti 1_ | model | [4] Bittermann 1997; _cites Baetzner 1994_ | Table 4, p. 5, row 6; `ORC-7C3Q3NNPRR` |  |
| Phase transition | 1943 K | 1943 | Solubility of B in (βTi) | experimental | [3] Ma 2004; _cites Palty 1954_ | Table 1, p. 2, row 4; `ORC-SSEEYCRFXC` |  |
| Phase transition | 1943 K | 1943 | congruent transformation: bcc-Ti; _alloy: Ti 1_ | model | [6] Mattern 2014; _cites Murray 1987_ | Table 1, p. 3, row 3; `ORC-MA7BWLTJLX` |  |

### Formation (2)

Table: Formation, Ti system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| end member formation energy; _printed: ΔEf_ | 74.45 kJ/mol-atom | 0 | (Ti)0.5(Va)0.5(Va)3 / (Va)0.5(Ti)0.5(Va)3; _alloy: Ti 1_ | DFT | [7] Santhy 2015 | Table 5, p. 4, row 14; `ORC-PHLLH6PKZ7` |  |
| end member formation energy; _printed: ΔEf_ | 4.77 kJ/mol-atom | 0 | (Ti)3(Ti)1; _alloy: Ti 1_ | DFT | [7] Santhy 2015 | Table 5, p. 4, row 11; `ORC-VWQAJJFQRF` |  |

### Mixing / partial (3)

Table: Mixing / partial, Ti system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Enthalpy of mixing; _printed: ΔH_ | 0 kJ/mol (basis unstated) | 0 | Bcc; _alloy: Ti 1_ | DFT | [8] Shang 2007 | Table 2, p. 2, row 20; `ORC-FL2F4FCVOP` |  |
| Enthalpy of mixing; _printed: ΔH_ | 0 kJ/mol (basis unstated) | 0 | Fcc; _alloy: Ti 1_ | DFT | [8] Shang 2007 | Table 2, p. 2, row 25; `ORC-XRQRH44UY7` |  |
| Enthalpy of mixing; _printed: ΔH_ | 0 kJ/mol (basis unstated) | 0 | Hcp; _alloy: Ti 1_ | DFT | [8] Shang 2007 | Table 2, p. 2, row 30; `ORC-K5FYV4NORO` |  |

### Heat capacity / entropy / enthalpy (57)

Table: Heat capacity / entropy / enthalpy, Ti system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Entropy; _printed: ΔShcp-bcc_ | 3.615 J/(mol·K) |  | Ti | model | [9] Hu 2020 | Table 3, p. 4, row 22; `ORC-7XSHWPPGXN.ac28fa` |  |
| Entropy; _printed: ΔS hcp-bcc_ | 3.58 J/(mol·K) |  | Ti | experimental | [9] Hu 2020; _cites Cezairliyan 1978_ [doi](https://doi.org/10.6028/jres.083.007) | Table 3, p. 4, row 1; `ORC-ASWUEZGZRO.74e746` |  |
| Entropy; _printed: ΔS hcp-bcc_ | 3.576 J/(mol·K) ± 0.172 |  | Ti | model | [9] Hu 2020; _cites Desai 1987_ [doi](https://doi.org/10.1007/bf00500794) | Table 3, p. 4, row 19; `ORC-CLOPYKGILX.2e7c39` |  |
| Entropy; _printed: ΔShcp-bcc_ | 3.578 J/(mol·K) |  | Ti | model | [9] Hu 2020; _cites and Desai \[35\] 1941_ | Table 3, p. 4, row 20; `ORC-KU5NAQC7NY.9ddddc` |  |
| Entropy; _printed: ΔShcp-bcc_ | 3.6104 J/(mol·K) |  | Ti | model | [9] Hu 2020; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 3, p. 4, row 21; `ORC-QOZHVTCQ3I.9c2dff` |  |
| Entropy; _printed: S°(298.15 K)_ | 30.6 J/mol (basis unstated)/K | 298.15 | Ti | model | [9] Hu 2020 | Table 3, p. 4, row 22; `ORC-7XSHWPPGXN.37f05c` |  |
| Entropy; _printed: S°(298.15 K)_ | 30.686 J/mol (basis unstated)/K ± 0.08 | 298.15 | Ti | model | [9] Hu 2020; _cites Desai 1987_ [doi](https://doi.org/10.1007/bf00500794) | Table 3, p. 4, row 19; `ORC-CLOPYKGILX.8adf71` |  |
| Entropy; _printed: S°(298.15 K)_ | 30.699 J/mol (basis unstated)/K | 298.15 | Ti | experimental | [9] Hu 2020; _cites Kothen 1952_ | Table 3, p. 4, row 7; `ORC-EYHUKOUPPF.a60f46` |  |
| Entropy; _printed: S°(298.15 K)_ | 30.759 J/mol (basis unstated)/K ± 0.2 | 298.15 | Ti | model | [9] Hu 2020; _cites and Desai \[35\] 1941_ | Table 3, p. 4, row 20; `ORC-KU5NAQC7NY.662f7a` |  |
| Entropy; _printed: S°(298.15 K)_ | 30.72 J/mol (basis unstated)/K | 298.15 | Ti | model | [9] Hu 2020; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 3, p. 4, row 21; `ORC-QOZHVTCQ3I.6def40` |  |
| Heat capacity; _printed: γ_ | 3.51 mJ/mol⋅K |  | bcc | model | [9] Hu 2020 | Table 2, p. 3, row 24; `ORC-5V2HI3XNY2` |  |
| Heat capacity; _printed: γ_ | 2.2 mJ/mol⋅K |  | fcc | model | [9] Hu 2020 | Table 2, p. 3, row 27; `ORC-7I5PK5Z2LE` |  |
| Heat capacity; _printed: γ_ | 3.32 mJ/mol⋅K ± 0.02 |  | hcp | experimental | [9] Hu 2020; _cites Agarwal 1974_ [doi](https://doi.org/10.1007/bf00655070) | Table 2, p. 3, row 2; `ORC-5DU4GTU3TX` |  |
| Heat capacity; _printed: γ_ | 3.3 mJ/mol⋅K |  | hcp | model | [9] Hu 2020; _cites Heiniger 1964_ [doi](https://doi.org/10.1103/physrev.134.a1407) | Table 2, p. 3, row 6; `ORC-BVKDRMAHJB` |  |
| Heat capacity; _printed: γ_ | 3.36 mJ/mol⋅K |  | hcp | model | [9] Hu 2020; _cites Collings 1970_ [doi](https://doi.org/10.1103/physrevb.2.235) | Table 2, p. 3, row 9; `ORC-CYEDOIU54J` |  |
| Heat capacity; _printed: γ_ | 3.305 mJ/mol⋅K |  | hcp | experimental | [9] Hu 2020; _cites Hake 1964_ [doi](https://doi.org/10.1103/physrev.135.a1151) | Table 2, p. 3, row 5; `ORC-FE2N2S2QAR` |  |
| Heat capacity; _printed: γ_ | 3.32 mJ/mol⋅K |  | hcp | experimental | [9] Hu 2020; _cites Collings 1970_ [doi](https://doi.org/10.1103/physrevb.2.235) | Table 2, p. 3, row 8; `ORC-K4LMAWQ7QH` |  |
| Heat capacity; _printed: γ_ | 3.349 mJ/mol⋅K |  | hcp | model | [9] Hu 2020; _cites Fisher 1964_ [doi](https://doi.org/10.1103/physrev.135.a482) | Table 2, p. 3, row 11; `ORC-O7PSS7LQ3J` |  |
| Heat capacity; _printed: γ_ | 3.38 mJ/mol⋅K |  | hcp | experimental | [9] Hu 2020; _cites Aven 1956_ | Table 2, p. 3, row 4; `ORC-P6FZZ7MXTA` |  |
| Heat capacity; _printed: γ_ | 3.11 mJ/mol⋅K |  | hcp | model | [9] Hu 2020; _cites Agarwal 1974_ [doi](https://doi.org/10.1007/bf00655070) | Table 2, p. 3, row 1; `ORC-POVAQH4IDT` |  |
| Heat capacity; _printed: γ_ | 7.77 mJ/mol⋅K |  | hcp | model | [9] Hu 2020 | Table 2, p. 3, row 18; `ORC-Q4IT2M334A` |  |
| Heat capacity; _printed: γ_ | 3.332 mJ/mol⋅K ± 0.02 |  | hcp | experimental | [9] Hu 2020; _cites Desai 1987_ [doi](https://doi.org/10.1007/bf00500794) | Table 2, p. 3, row 12; `ORC-QTPV2QMRZI` |  |
| Heat capacity; _printed: γ_ | 3.31 mJ/mol⋅K ± 0.03 |  | hcp | model | [9] Hu 2020; _cites Dummer 1965_ [doi](https://doi.org/10.1007/bf01380465) | Table 2, p. 3, row 10; `ORC-WEMPPGJ4E7` |  |
| Heat capacity; _printed: γ_ | 3.346 mJ/mol⋅K |  | hcp | experimental | [9] Hu 2020; _cites Kneip 1963_ [doi](https://doi.org/10.1103/physrev.130.1687) | Table 2, p. 3, row 3; `ORC-WH3UF7GPHJ` |  |
| Heat capacity; _printed: γ_ | 3.56 mJ/mol⋅K |  | hcp | experimental | [9] Hu 2020; _cites Wolcott 1957_ [doi](https://doi.org/10.1080/14786435708244013) | Table 2, p. 3, row 7; `ORC-XTMVUSGARZ` |  |
| Heat capacity; _printed: γ_ | 3.35 mJ/mol⋅K |  | hcp | model | [9] Hu 2020; _cites Kittel 1996_ | Table 2, p. 3, row 13; `ORC-YC7G4ZLRCP` |  |
| Heat capacity; _printed: γ_ | 4.01 mJ/mol⋅K |  | liquid-amorphous | model | [9] Hu 2020 | Table 2, p. 3, row 35; `ORC-YBZEDOIHKU` |  |
| Heat capacity; _printed: γ_ | 3.51 mJ/mol⋅K |  | ω | model | [9] Hu 2020 | Table 2, p. 3, row 32; `ORC-ONOJOCPL5E` |  |
| Heat content; _printed: H°(298.15 K)–H°(0 K)_ | 4824 J/mol | 298.15 | Ti | model | [9] Hu 2020 | Table 3, p. 4, row 22; `ORC-7XSHWPPGXN.8e8656` |  |
| Heat content; _printed: H°(298.15 K)–H°(0 K)_ | 4822 J/mol ± 10 | 298.15 | Ti | model | [9] Hu 2020; _cites Desai 1987_ [doi](https://doi.org/10.1007/bf00500794) | Table 3, p. 4, row 19; `ORC-CLOPYKGILX.3cd8e4` |  |
| Heat content; _printed: H°(298.15 K)–H°(0 K)_ | 4813 J/mol | 298.15 | Ti | experimental | [9] Hu 2020; _cites Kothen 1952_ | Table 3, p. 4, row 7; `ORC-EYHUKOUPPF.9beaec` |  |
| Heat content; _printed: H°(298.15 K)–H°(0 K)_ | 4830 J/mol | 298.15 | Ti | model | [9] Hu 2020; _cites and Desai \[35\] 1941_ | Table 3, p. 4, row 20; `ORC-KU5NAQC7NY.2b13aa` |  |
| Heat content; _printed: H°(298.15 K)–H°(0 K)_ | 4824 J/mol | 298.15 | Ti | model | [9] Hu 2020; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 3, p. 4, row 21; `ORC-QOZHVTCQ3I.3dd11f` |  |
| hm lattice stability; _printed: ΔEbcc-hcp_ | 10.295 kJ/mol (basis unstated) | 0 | bcc | DFT | [9] Hu 2020; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.calphad.2004.05.002) | Table 4, p. 5, row 2; `ORC-7XGFNV3NLB.2ed096` |  |
| hm lattice stability; _printed: ΔEbcc-hcp_ | 10.517 kJ/mol (basis unstated) | 0 | bcc | model | [9] Hu 2020; _cites Hu 2010_ [doi](https://doi.org/10.1063/1.3407560) | Table 4, p. 5, row 3; `ORC-AK7PVLTK5Z.f2ab58` |  |
| hm lattice stability; _printed: ΔEbcc-hcp_ | 9.649 kJ/mol (basis unstated) | 0 | bcc | DFT | [9] Hu 2020; _cites The_ | Table 4, p. 5, row 6; `ORC-MLIM6XDQDO.e354bf` |  |
| hm lattice stability; _printed: ΔEbcc-hcp_ | 10.556 kJ/mol (basis unstated) | 0 | bcc | model | [9] Hu 2020; _cites Mei 2009_ [doi](https://doi.org/10.1103/physrevb.80.104116) | Table 4, p. 5, row 1; `ORC-OCI3SIO5CM.b622fd` |  |
| hm lattice stability; _printed: ΔEbcc-hcp_ | 10.619 kJ/mol (basis unstated) | 0 | bcc | DFT | [9] Hu 2020 | Table 4, p. 5, row 8; `ORC-QNRKLZXJFP.67656e` |  |
| hm lattice stability; _printed: ΔEbcc-hcp_ | 6.029 kJ/mol (basis unstated) | 0 | bcc | model | [9] Hu 2020 | Table 4, p. 5, row 9; `ORC-THXW5UD76Z.b5a30a` |  |
| hm lattice stability; _printed: ΔEbcc-hcp_ | 7.062 kJ/mol (basis unstated) | 0 | bcc | model | [9] Hu 2020; _cites Vrest 2012_ | Table 4, p. 5, row 4; `ORC-TZST2WZZTV.148841` |  |
| hm lattice stability; _printed: ΔEfcc-hcp_ | 5.509 kJ/mol (basis unstated) | 0 | fcc | DFT | [9] Hu 2020; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.calphad.2004.05.002) | Table 4, p. 5, row 2; `ORC-7XGFNV3NLB.e8bb2e` |  |
| hm lattice stability; _printed: ΔEfcc-hcp_ | 6 kJ/mol (basis unstated) | 0 | fcc | model | [9] Hu 2020; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 4, p. 5, row 7; `ORC-GQQCGNRUJF` |  |
| hm lattice stability; _printed: ΔEfcc-hcp_ | 5.403 kJ/mol (basis unstated) | 0 | fcc | DFT | [9] Hu 2020; _cites The_ | Table 4, p. 5, row 6; `ORC-MLIM6XDQDO.74402b` |  |
| hm lattice stability; _printed: ΔEfcc-hcp_ | 5.438 kJ/mol (basis unstated) | 0 | fcc | DFT | [9] Hu 2020 | Table 4, p. 5, row 8; `ORC-QNRKLZXJFP.b40e4a` |  |
| hm lattice stability; _printed: ΔEfcc-hcp_ | 5.91 kJ/mol (basis unstated) | 0 | fcc | model | [9] Hu 2020 | Table 4, p. 5, row 9; `ORC-THXW5UD76Z.404f8e` |  |
| hm lattice stability; _printed: ΔEfcc-hcp_ | 6.77 kJ/mol (basis unstated) | 0 | fcc | model | [9] Hu 2020; _cites Vrest 2012_ | Table 4, p. 5, row 4; `ORC-TZST2WZZTV.d3ddd7` |  |
| hm lattice stability; _printed: ΔEω-hcp_ | -0.579 kJ/mol (basis unstated) | 0 | ω | model | [9] Hu 2020; _cites Hu 2010_ [doi](https://doi.org/10.1063/1.3407560) | Table 4, p. 5, row 3; `ORC-AK7PVLTK5Z.f101c8` |  |
| hm lattice stability; _printed: ΔEω-hcp_ | -1.351 kJ/mol (basis unstated) | 0 | ω | DFT | [9] Hu 2020; _cites The_ | Table 4, p. 5, row 6; `ORC-MLIM6XDQDO.0770b4` |  |
| hm lattice stability; _printed: ΔEω-hcp_ | -0.203 kJ/mol (basis unstated) | 0 | ω | model | [9] Hu 2020; _cites Mei 2009_ [doi](https://doi.org/10.1103/physrevb.80.104116) | Table 4, p. 5, row 1; `ORC-OCI3SIO5CM.858f63` |  |
| hm lattice stability; _printed: ΔEω-hcp_ | -0.571 kJ/mol (basis unstated) | 0 | ω | DFT | [9] Hu 2020 | Table 4, p. 5, row 8; `ORC-QNRKLZXJFP.4006d7` |  |
| hm lattice stability; _printed: ΔEω-hcp_ | -0.214 kJ/mol (basis unstated) | 0 | ω | model | [9] Hu 2020 | Table 4, p. 5, row 9; `ORC-THXW5UD76Z.f0f6d6` |  |
| hm lattice stability; _printed: ΔEω-hcp_ | -0.788 kJ/mol (basis unstated) | 0 | ω | model | [9] Hu 2020; _cites Argaman 2015_ [doi](https://doi.org/10.1088/2053-1591/2/1/016505) | Table 4, p. 5, row 5; `ORC-TJXPEI2PRZ` |  |
| sm fusion; _printed: ΔfusS°_ | 7.355 J/mol (basis unstated)/K |  | Ti | model | [9] Hu 2020 | Table 3, p. 4, row 22; `ORC-7XSHWPPGXN.28c0d2` |  |
| sm fusion; _printed: ΔfusS°_ | 7.481 J/mol (basis unstated)/K ± 0.25 |  | Ti | model | [9] Hu 2020; _cites Desai 1987_ [doi](https://doi.org/10.1007/bf00500794) | Table 3, p. 4, row 19; `ORC-CLOPYKGILX.133279` |  |
| sm fusion; _printed: ΔfusS°_ | 7.295 J/mol (basis unstated)/K |  | Ti | model | [9] Hu 2020; _cites and Desai \[35\] 1941_ | Table 3, p. 4, row 20; `ORC-KU5NAQC7NY.826b29` |  |
| sm fusion; _printed: ΔfusS°_ | 7.288 J/mol (basis unstated)/K |  | Ti | model | [9] Hu 2020; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 3, p. 4, row 21; `ORC-QOZHVTCQ3I.13ecdb` |  |
| sm fusion; _printed: ΔfusS°_ | 6.823 J/mol (basis unstated)/K ± 0.25 | 298.15 | Ti | experimental | [9] Hu 2020; _cites Treverton 1971_ [doi](https://doi.org/10.1016/s0021-9614%2871%2980029-0) | Table 3, p. 4, row 16; `ORC-7LY4Z5FKD7.20ba19` |  |

### Crystal structure (76)

Table: Crystal structure, Ti system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a | 2.951 Å | 0 | (αTi); _alloy: Ti 1_ | unspecified | [10] Gierlotka 2023 | Table 3, p. 3, row 2; `ORC-BPWL2QOOEG.ab8237` |  |
| Lattice a | 2.95 Å | 0 | (αTi); _alloy: Ti 1_ | unspecified | [10] Gierlotka 2023 | Table 3, p. 3, row 4; `ORC-I3RXTQEIXY.40e02e` |  |
| Lattice a | 2.9064 Å | 0 | (αTi); _alloy: Ti 1_ | unspecified | [10] Gierlotka 2023 | Table 3, p. 3, row 3; `ORC-J4EYURSZGY.6d720b` |  |
| Lattice a | 2.818 Å | 0 | (αTi); _alloy: Ti 1_ | unspecified | [10] Gierlotka 2023 | Table 3, p. 3, row 1; `ORC-J5M7J7QERG.0c0876` |  |
| Lattice a | 2.97 Å | 0 | (αTi); _alloy: Ti 1_ | unspecified | [10] Gierlotka 2023 | Table 3, p. 3, row 5; `ORC-UWREDJW6XS.a40eb3` |  |
| Lattice a; _printed: a_ | 3.231 Å | 0 | Bcc; _alloy: Ti 1_ | DFT | [8] Shang 2007 | Table 2, p. 2, row 20; `ORC-GIYHCQGLHK` |  |
| Lattice a; _printed: a_ | 4.083 Å | 0 | Fcc; _alloy: Ti 1_ | DFT | [8] Shang 2007 | Table 2, p. 2, row 25; `ORC-6K5KZGPJIH` |  |
| Lattice a; _printed: a_ | 2.92 Å | 0 | Hcp; _alloy: Ti 1_ | DFT | [8] Shang 2007 | Table 2, p. 2, row 30; `ORC-6OWGUNL36K` |  |
| Lattice a | 2.9239 Å |  | NM HCP Ti; _alloy: Ti 1_ | unspecified | [11] Pavlů 2010 | Table 1, p. 3, row 6; `ORC-KDL5HJYT7P.23be00` |  |
| Lattice a | 2.9239 Å |  | NM HCP Ti; _alloy: Ti 1_ | unspecified | [11] Pavlů 2010 | Table 1, p. 3, row 10; `ORC-TSEWEND2CL.97dc60` |  |
| Lattice a | 3.236 Å |  | Ti; _alloy: Ti 1_ | DFT | [12] Zacherl 2012 | Table 1, p. 4, row 4; `ORC-3O27BKYQLK` |  |
| Lattice a | 3.241 Å |  | Ti; _alloy: Ti 1_ | DFT | [12] Zacherl 2012; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.actamat.2004.02.014) | Table 1, p. 4, row 6; `ORC-FEIGQKCNJH` |  |
| Lattice a | 2.921 Å |  | Ti; _alloy: Ti 1_ | DFT | [12] Zacherl 2012 | Table 1, p. 4, row 7; `ORC-LUMOX5IKLW.de8980` |  |
| Lattice a | 2.929 Å |  | Ti; _alloy: Ti 1_ | DFT | [12] Zacherl 2012; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.actamat.2004.02.014) | Table 1, p. 4, row 9; `ORC-YKVBKSR2LW.fd868a` |  |
| Lattice a | 5.1722 Å |  | Ti2Ti (C14); _alloy: Ti 1_ | unspecified | [11] Pavlů 2010 | Table 2, p. 3, row 21; `ORC-4W7AHVJHIL.8c578d` |  |
| Lattice a | 5.1722 Å | 0 | Ti2Ti (C14); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 54; `ORC-GJOMUOEL6H.13ef41` |  |
| Lattice a | 7.4963 Å | 0 | Ti2Ti (C15); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 55; `ORC-4BFO7UK57J.210d3b` |  |
| Lattice a | 5.069 Å | 0 | Ti2Ti (C36); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 61; `ORC-FFYFDDJWXP.3be9d4` |  |
| Lattice a | 5.069 Å |  | Ti2Ti (C36); _alloy: Ti 1_ | unspecified | [11] Pavlů 2010 | Table 2, p. 3, row 28; `ORC-Z3ZSJ75KAY.c1d29f` |  |
| Lattice a | 3.3065 Å |  | UNKNOWN; _alloy: Ti 1_ | model | [13] Keyzer 2009 | Table 1, p. 3, row 2; `ORC-NQSMHMCSDK.5715b9` |  |
| Lattice a | 2.9503 Å |  | hcp-Ti; _alloy: Ti 1_ | model | [6] Mattern 2014; _cites Beaudry 1974_ [doi](https://doi.org/10.1016/0022-5088%2874%2990163-5) | Table 2, p. 5, row 9; `ORC-OCPZYDWFDZ.9e1174` |  |
| Lattice a | 2.9504 Å | 298.15 | NM HCP Ti; _alloy: Ti 1_ | experimental | [11] Pavlů 2010; _cites Villars 1991_ | Table 1, p. 3, row 5; `ORC-XYDM2RAX3B.6495f5` |  |
| Lattice a | 2.95 Å | 298.15 | Ti; _alloy: Ti 1_ | experimental | [12] Zacherl 2012; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 1, p. 4, row 8; `ORC-74EL5PRYOJ.b232cd` |  |
| Lattice a | 3.31 Å | 298.15 | Ti; _alloy: Ti 1_ | experimental | [12] Zacherl 2012; _cites Kittel 2005_ | Table 1, p. 4, row 5; `ORC-A4VK6B6GFE` |  |
| Lattice a | 2.956 Å | 298.15 | αTi; _alloy: Ti 1_ | model | [14] Cacciamani 2000; _cites Villars 1991_ | Table 1, p. 2, row 8; `ORC-5S662LOFCS.f0cd6c` |  |
| Lattice a | 0.29506 not_printed | 298.15 | αTi; _alloy: Ti 1_ | model | [4] Bittermann 1997; _cites Massalski 1990_ | Table 2, p. 3, row 4; `ORC-72VUXVTIBS.e1cfe9` |  |
| Lattice a | 2.9506 Å | 298.15 | αTi; _alloy: Ti 1_ | model | [15] Duschanek 1995; _cites Massalski 1990_ | Table 3, p. 4, row 7; `ORC-TLKVO7UVBQ.b2bd6f` |  |
| Lattice a | 0.33065 not_printed | 298.15 | βTi; _alloy: Ti 1_ | model | [4] Bittermann 1997; _cites Massalski 1990_ | Table 2, p. 3, row 5; `ORC-BCXHQ6IWFW` |  |
| Lattice a | 3.313 Å | 298.15 | βTi; _alloy: Ti 1_ | model | [14] Cacciamani 2000; _cites Villars 1991_ | Table 1, p. 2, row 9; `ORC-FBFOG4IWQT` |  |
| Lattice a | 3.3065 Å | 298.15 | βTi; _alloy: Ti 1_ | model | [15] Duschanek 1995; _cites Massalski 1990_ | Table 3, p. 4, row 6; `ORC-JFYNVHVQXW` |  |
| Lattice a | 2.9503 Å | 1154.95 (\<) | (αTi); _alloy: Ti 1_ | model | [16] Cao 2013; _cites King 1981_ | Table 1, p. 2, row 2; `ORC-EYIOXW3CSS.062d98` |  |
| Lattice a | 2.952 Å | 1978.15 | αTi; _alloy: Ti 1_ | unspecified | [15] Duschanek 1995; _cites ref. 66Rud_ | Table 3, p. 4, row 8; `ORC-33J2KZOGBM.50c096` |  |
| Lattice b | 2.951 Å | 0 | (αTi); _alloy: Ti 1_ | unspecified | [10] Gierlotka 2023 | Table 3, p. 3, row 2; `ORC-BPWL2QOOEG.a243b3` |  |
| Lattice b | 2.95 Å | 0 | (αTi); _alloy: Ti 1_ | unspecified | [10] Gierlotka 2023 | Table 3, p. 3, row 4; `ORC-I3RXTQEIXY.06cfc8` |  |
| Lattice b | 2.9064 Å | 0 | (αTi); _alloy: Ti 1_ | unspecified | [10] Gierlotka 2023 | Table 3, p. 3, row 3; `ORC-J4EYURSZGY.53c80f` |  |
| Lattice b | 2.818 Å | 0 | (αTi); _alloy: Ti 1_ | unspecified | [10] Gierlotka 2023 | Table 3, p. 3, row 1; `ORC-J5M7J7QERG.d2d6c0` |  |
| Lattice b | 2.97 Å | 0 | (αTi); _alloy: Ti 1_ | unspecified | [10] Gierlotka 2023 | Table 3, p. 3, row 5; `ORC-UWREDJW6XS.d07dbc` |  |
| Lattice c | 4.685 Å | 0 | (αTi); _alloy: Ti 1_ | unspecified | [10] Gierlotka 2023 | Table 3, p. 3, row 2; `ORC-BPWL2QOOEG.4f51dd` |  |
| Lattice c | 4.686 Å | 0 | (αTi); _alloy: Ti 1_ | unspecified | [10] Gierlotka 2023 | Table 3, p. 3, row 4; `ORC-I3RXTQEIXY.b7057e` |  |
| Lattice c | 4.667 Å | 0 | (αTi); _alloy: Ti 1_ | unspecified | [10] Gierlotka 2023 | Table 3, p. 3, row 3; `ORC-J4EYURSZGY.e618d6` |  |
| Lattice c | 4.551 Å | 0 | (αTi); _alloy: Ti 1_ | unspecified | [10] Gierlotka 2023 | Table 3, p. 3, row 1; `ORC-J5M7J7QERG.5f2c5f` |  |
| Lattice c | 4.72 Å | 0 | (αTi); _alloy: Ti 1_ | unspecified | [10] Gierlotka 2023 | Table 3, p. 3, row 5; `ORC-UWREDJW6XS.d778e7` |  |
| Lattice c | 4.6249 Å |  | NM HCP Ti; _alloy: Ti 1_ | unspecified | [11] Pavlů 2010 | Table 1, p. 3, row 6; `ORC-KDL5HJYT7P.f0328f` |  |
| Lattice c | 4.6249 Å |  | NM HCP Ti; _alloy: Ti 1_ | unspecified | [11] Pavlů 2010 | Table 1, p. 3, row 10; `ORC-TSEWEND2CL.e3f8e5` |  |
| Lattice c | 4.632 Å |  | Ti; _alloy: Ti 1_ | DFT | [12] Zacherl 2012 | Table 1, p. 4, row 7; `ORC-LUMOX5IKLW.e5e008` |  |
| Lattice c | 4.631 Å |  | Ti; _alloy: Ti 1_ | DFT | [12] Zacherl 2012; _cites Wang 2004_ [doi](https://doi.org/10.1016/j.actamat.2004.02.014) | Table 1, p. 4, row 9; `ORC-YKVBKSR2LW.22ddc5` |  |
| Lattice c | 8.9465 Å |  | Ti2Ti (C14); _alloy: Ti 1_ | unspecified | [11] Pavlů 2010 | Table 2, p. 3, row 21; `ORC-4W7AHVJHIL.1d57ea` |  |
| Lattice c | 8.9465 Å | 0 | Ti2Ti (C14); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 54; `ORC-GJOMUOEL6H.3ea4cf` |  |
| Lattice c | 18.8228 Å | 0 | Ti2Ti (C36); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 61; `ORC-FFYFDDJWXP.6634d3` |  |
| Lattice c | 18.8228 Å |  | Ti2Ti (C36); _alloy: Ti 1_ | unspecified | [11] Pavlů 2010 | Table 2, p. 3, row 28; `ORC-Z3ZSJ75KAY.8f09e3` |  |
| Lattice c | 4.681 Å |  | hcp-Ti; _alloy: Ti 1_ | model | [6] Mattern 2014; _cites Beaudry 1974_ [doi](https://doi.org/10.1016/0022-5088%2874%2990163-5) | Table 2, p. 5, row 9; `ORC-OCPZYDWFDZ.90d6a7` |  |
| Lattice c | 4.681 Å | 298.15 | NM HCP Ti; _alloy: Ti 1_ | experimental | [11] Pavlů 2010; _cites Villars 1991_ | Table 1, p. 3, row 5; `ORC-XYDM2RAX3B.eb0b53` |  |
| Lattice c | 4.68 Å | 298.15 | Ti; _alloy: Ti 1_ | experimental | [12] Zacherl 2012; _cites Dinsdale 1991_ [doi](https://doi.org/10.1016/0364-5916%2891%2990030-n) | Table 1, p. 4, row 8; `ORC-74EL5PRYOJ.a6e7d4` |  |
| Lattice c | 4.693 Å | 298.15 | αTi; _alloy: Ti 1_ | model | [14] Cacciamani 2000; _cites Villars 1991_ | Table 1, p. 2, row 8; `ORC-5S662LOFCS.88d33a` |  |
| Lattice c | 0.46835 not_printed | 298.15 | αTi; _alloy: Ti 1_ | model | [4] Bittermann 1997; _cites Massalski 1990_ | Table 2, p. 3, row 4; `ORC-72VUXVTIBS.9010ab` |  |
| Lattice c | 4.6835 Å | 298.15 | αTi; _alloy: Ti 1_ | model | [15] Duschanek 1995; _cites Massalski 1990_ | Table 3, p. 4, row 7; `ORC-TLKVO7UVBQ.dde3c1` |  |
| Lattice c | 4.6836 Å | 1154.95 (\<) | (αTi); _alloy: Ti 1_ | model | [16] Cao 2013; _cites King 1981_ | Table 1, p. 2, row 2; `ORC-EYIOXW3CSS.edfaa7` |  |
| Lattice c | 4.692 Å | 1978.15 | αTi; _alloy: Ti 1_ | unspecified | [15] Duschanek 1995; _cites ref. 66Rud_ | Table 3, p. 4, row 8; `ORC-33J2KZOGBM.ca969b` |  |
| Molar volume; _printed: V0_ | 8.58 Å3/atom | 0 | hcp-Ti; _alloy: Ti 1_ | DFT | [12] Zacherl 2012; _cites Mei 2009_ [doi](https://doi.org/10.1103/physrevb.80.104116) | Table 2, p. 4, row 4; `ORC-DX3YXNBSL2` |  |
| Molar volume; _printed: V0_ | 8.56 Å3/atom | 0 | hcp-Ti; _alloy: Ti 1_ | DFT | [12] Zacherl 2012 | Table 2, p. 4, row 3; `ORC-KAWCUEHY2F` |  |
| Molar volume; _printed: V0_ | 8.82 Å3/atom | 300 | hcp-Ti; _alloy: Ti 1_ | experimental | [12] Zacherl 2012; _cites Zhang 2008_ [doi](https://doi.org/10.1103/physrevb.78.054119) | Table 2, p. 4, row 5; `ORC-CV7IB4UUMQ` |  |
| Molar volume; _printed: VX at 723 K_ | 10.77 10^-6 m^3/mol | 723 | UNKNOWN; _alloy: Ti 1_ | model | [17] Doi 2006; _cites Tanaka 1994_ [doi](https://doi.org/10.1002/srin.199400921) | Table 7, p. 10, row 2; `ORC-BZTMPP6P2V.2890f4` |  |
| Molar volume; _printed: Vm,X_ | 11.6 10^-6 m^3/mol | 1998 | UNKNOWN; _alloy: Ti 1_ | model | [17] Doi 2006; _cites Tanaka 1994_ [doi](https://doi.org/10.1002/srin.199400921) | Table 7, p. 10, row 2; `ORC-BZTMPP6P2V.78e3db` |  |
| lattice 4e z | 0.1004 not_printed | 0 | Ti2Ti (C36); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 61; `ORC-FFYFDDJWXP.c86d26` |  |
| lattice 4f z | 0.0523 not_printed | 0 | Ti2Ti (C14); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 54; `ORC-GJOMUOEL6H.a0b122` |  |
| lattice 4f z 1 | 0.8496 not_printed | 0 | Ti2Ti (C36); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 61; `ORC-FFYFDDJWXP.336e6a` |  |
| lattice 4f z 2 | 0.1276 not_printed | 0 | Ti2Ti (C36); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 61; `ORC-FFYFDDJWXP.20af98` |  |
| lattice 6h x | 0.8263 not_printed | 0 | Ti2Ti (C14); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 54; `ORC-GJOMUOEL6H.0f2e2c` |  |
| lattice 6h x | 0.163 not_printed | 0 | Ti2Ti (C36); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 61; `ORC-FFYFDDJWXP.cf860b` |  |
| lattice 6h y | 0.6527 not_printed | 0 | Ti2Ti (C14); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 54; `ORC-GJOMUOEL6H.6b2cab` |  |
| lattice 6h y | 0.3259 not_printed | 0 | Ti2Ti (C36); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 61; `ORC-FFYFDDJWXP.9bee8a` |  |
| lattice c a | 1.5818 not_printed |  | NM HCP Ti; _alloy: Ti 1_ | unspecified | [11] Pavlů 2010 | Table 1, p. 3, row 10; `ORC-TSEWEND2CL.98cf3f` |  |
| lattice v atom | 1.71204 10^7 pm^3 |  | NM HCP Ti; _alloy: Ti 1_ | unspecified | [11] Pavlů 2010 | Table 1, p. 3, row 10; `ORC-TSEWEND2CL.e16a07` |  |
| lattice v atom | 1.72722 10^7 pm^3 | 0 | Ti2Ti (C14); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 54; `ORC-GJOMUOEL6H.005703` |  |
| lattice v atom | 1.7552 10^7 pm^3 | 0 | Ti2Ti (C15); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 55; `ORC-4BFO7UK57J.17a03c` |  |
| lattice v atom | 1.74524 10^7 pm^3 | 0 | Ti2Ti (C36); _alloy: Ti 1_ | DFT | [11] Pavlů 2010 | Table 2, p. 3, row 61; `ORC-FFYFDDJWXP.92f2d1` |  |

## Sources

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

1. Weisen Zheng, Wei Song, Tong Wu, Jingya Wang, Yanlin He, Xiao-Gang Lu, Experimental investigation and thermodynamic modeling of the ternary Ti–Fe–Mn system for hydrogen storage applications, Journal of Alloys and Compounds 891, 161957 (2022). [doi:10.1016/j.jallcom.2021.161957](https://doi.org/10.1016/j.jallcom.2021.161957)
2. Zhi Liang, Ursula Kattner, Kamal Choudharry, Francesca Tavazza, Carelyn Campbell, Thermodynamic Assessments of Ti-Al, Ti-Fe, and Ti-Al-Fe Systems with Four-Sublattice Description of Ordered Body-Centered Cubic Phase and Density Functional Theory Data, J. Phase Equilib. Diffus. 45, 732-756 (2024). [doi:10.1007/s11669-024-01124-9](https://doi.org/10.1007/s11669-024-01124-9)
3. Xiaoyan Ma, Changrong Li, Zhenmin Du, Weijing Zhang, Thermodynamic assessment of the Ti–B system, Journal of Alloys and Compounds 370, 149-158 (2004). [doi:10.1016/j.jallcom.2003.09.017](https://doi.org/10.1016/j.jallcom.2003.09.017)
4. 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)
5. J. L. Murray, The Mg−Ti (Magnesium-Titanium) system, Bulletin of Alloy Phase Diagrams 7, 245-248 (1986). [doi:10.1007/bf02868999](https://doi.org/10.1007/bf02868999)
6. N. Mattern, Y. Yokoyama, A. Mizuno, J.H. Han, O. Fabrichnaya, T. Harada et al., Experimental and thermodynamic assessment of the Nd–Ti system, Calphad 47, 136-143 (2014). [doi:10.1016/j.calphad.2014.08.002](https://doi.org/10.1016/j.calphad.2014.08.002)
7. K. Santhy, K.C. Hari Kumar, Thermodynamic reassessment of Nb-Ni-Ti system with order–disorder model, Journal of Alloys and Compounds 619, 733-747 (2015). [doi:10.1016/j.jallcom.2014.08.200](https://doi.org/10.1016/j.jallcom.2014.08.200)
8. Shunli Shang, Zhi-Jie Liu, Zi-Kui Liu, Thermodynamic modeling of the Ba–Ni–Ti system, Journal of Alloys and Compounds 430, 188-193 (2007). [doi:10.1016/j.jallcom.2006.03.096](https://doi.org/10.1016/j.jallcom.2006.03.096)
9. Biao Hu, Soumya Sridar, Liangyan Hao, Wei Xiong, A new thermodynamic modeling of the Ti–V system including the metastable ω phase, Intermetallics 122, 106791 (2020). [doi:10.1016/j.intermet.2020.106791](https://doi.org/10.1016/j.intermet.2020.106791)
10. Wojciech Gierlotka, Adam Dębski, Władysław Gąsior, Marek Polański, Computational approach to the Ag-Ti system, Computational Materials Science 230, 112519 (2023). [doi:10.1016/j.commatsci.2023.112519](https://doi.org/10.1016/j.commatsci.2023.112519)
11. 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)
12. Chelsey L. Zacherl, Shun-Li Shang, Arkapol Saengdeejing, Zi-Kui Liu, Phase stability and thermodynamic modeling of the Re–Ti system supplemented by first-principles calculations, Calphad 38, 71-80 (2012). [doi:10.1016/j.calphad.2012.05.001](https://doi.org/10.1016/j.calphad.2012.05.001)
13. Jozefien De Keyzer, Gabriele Cacciamani, Nathalie Dupin, Patrick Wollants, Thermodynamic modeling and optimization of the Fe–Ni–Ti system, Calphad 33, 109-123 (2009). [doi:10.1016/j.calphad.2008.10.003](https://doi.org/10.1016/j.calphad.2008.10.003)
14. G. Cacciamani, R. Ferro, I. Ansara, N. Dupin, Thermodynamic modelling of the Co–Ti system, Intermetallics 8, 213-222 (2000). [doi:10.1016/s0966-9795(99)00098-9](https://doi.org/10.1016/s0966-9795%2899%2900098-9)
15. H. Duschanek, P. Rogl, H. L. Lukas, A critical assessment and thermodynamic calculation of the boron-carbon-titanium (B-C-Ti) ternary system, JPE 16, 46-60 (1995). [doi:10.1007/bf02646248](https://doi.org/10.1007/bf02646248)
16. Z. Cao, J. Xin, C. Chen, S. Liu, B. Hu, C. Tang et al., Thermodynamic modeling of the Bi-M (M = Ti, Cr, V) systems, J min metall B Metall 49, 307-313 (2013). [doi:10.2298/jmmb130127033c](https://doi.org/10.2298/jmmb130127033c)
17. K. Doi, S. Ono, H. Ohtani, M. Hasebe, Thermodynamic study of the phase equilibria in the Sn−Ti−Zn ternary system, JPED 27, 63-74 (2006). [doi:10.1361/105497106x92826](https://doi.org/10.1361/105497106x92826)

## 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/).