# Cr–Hf–Ti system

> Cr–Hf–Ti system: 30 accepted literature values (crystal structure 30) and 0 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

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

30 accepted literature values from 1 paper(s) (experimental 5, DFT 16, unspecified 9); 0 calculated phase diagram(s).

Data: [JSON](https://data.orchid-project.org/literature/systems/CR-HF-TI.json) · [CSV](https://data.orchid-project.org/systems/CR-HF-TI.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#CR-HF-TI) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/CR-HF-TI.html) · [Markdown](https://data.orchid-project.org/systems/CR-HF-TI.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 5 |
| DFT | 16 |
| unspecified | 9 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| crystal structure | 30 |

## Other properties

### Crystal structure (30)

Table: Crystal structure, Cr–Hf–Ti system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a | 2.8548 Å |  | AFM BCC Cr; _alloy: Hf 0, Ti 0_ | unspecified | [1] Pavlů 2010 | Table 1, p. 3, row 8; `ORC-MYGV625N6C.e3f2e8` |  |
| Lattice a | 2.8548 Å |  | AFM BCC Cr; _alloy: Hf 0, Ti 0_ | unspecified | [1] Pavlů 2010 | Table 1, p. 3, row 2; `ORC-VLOGX6GLGA.a4cb3d` |  |
| Lattice a | 4.6409 Å |  | Cr2Cr (C14); _alloy: Hf 0, Ti 0_ | unspecified | [1] Pavlů 2010 | Table 2, p. 3, row 16; `ORC-DAWXXE5NOW.8b23dc` |  |
| Lattice a | 4.6409 Å | 0 | Cr2Cr (C14); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 30; `ORC-XAZKHH6FQZ.e8d08a` |  |
| Lattice a | 6.5804 Å | 0 | Cr2Cr (C15); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 31; `ORC-UIXXP7FW7J.996f75` |  |
| Lattice a | 4.6511 Å |  | Cr2Cr (C36); _alloy: Hf 0, Ti 0_ | unspecified | [1] Pavlů 2010 | Table 2, p. 3, row 9; `ORC-JAJPUSNKB2.fa4b0c` |  |
| Lattice a | 4.6511 Å | 0 | Cr2Cr (C36); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 40; `ORC-TDZ65XBF4Y.a66c86` |  |
| Lattice a | 2.8787 Å | 298.15 | AFM BCC Cr; _alloy: Hf 0, Ti 0_ | experimental | [1] Pavlů 2010; _cites Moroni 1993_ [doi](https://doi.org/10.1103/physrevb.47.3255) | Table 1, p. 3, row 7; `ORC-3XY4GAER2L.6fa1a0` |  |
| Lattice a | 2.8787 Å | 298.15 | AFM BCC Cr; _alloy: Hf 0, Ti 0_ | experimental | [1] Pavlů 2010; _cites Moroni 1993_ [doi](https://doi.org/10.1103/physrevb.47.3255) | Table 1, p. 3, row 1; `ORC-4QUVFKYJ6A.290fbd` |  |
| Lattice c | 2.8548 Å |  | AFM BCC Cr; _alloy: Hf 0, Ti 0_ | unspecified | [1] Pavlů 2010 | Table 1, p. 3, row 8; `ORC-MYGV625N6C.446c32` |  |
| Lattice c | 2.8548 Å |  | AFM BCC Cr; _alloy: Hf 0, Ti 0_ | unspecified | [1] Pavlů 2010 | Table 1, p. 3, row 2; `ORC-VLOGX6GLGA.98691f` |  |
| Lattice c | 7.6632 Å |  | Cr2Cr (C14); _alloy: Hf 0, Ti 0_ | unspecified | [1] Pavlů 2010 | Table 2, p. 3, row 16; `ORC-DAWXXE5NOW.308ac9` |  |
| Lattice c | 7.6632 Å | 0 | Cr2Cr (C14); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 30; `ORC-XAZKHH6FQZ.339dad` |  |
| Lattice c | 15.2311 Å |  | Cr2Cr (C36); _alloy: Hf 0, Ti 0_ | unspecified | [1] Pavlů 2010 | Table 2, p. 3, row 9; `ORC-JAJPUSNKB2.45aaf1` |  |
| Lattice c | 15.2311 Å | 0 | Cr2Cr (C36); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 40; `ORC-TDZ65XBF4Y.cf35e6` |  |
| Lattice c | 2.8787 Å | 298.15 | AFM BCC Cr; _alloy: Hf 0, Ti 0_ | experimental | [1] Pavlů 2010; _cites Moroni 1993_ [doi](https://doi.org/10.1103/physrevb.47.3255) | Table 1, p. 3, row 7; `ORC-3XY4GAER2L.c87910` |  |
| Lattice c | 2.8787 Å | 298.15 | AFM BCC Cr; _alloy: Hf 0, Ti 0_ | experimental | [1] Pavlů 2010; _cites Moroni 1993_ [doi](https://doi.org/10.1103/physrevb.47.3255) | Table 1, p. 3, row 1; `ORC-4QUVFKYJ6A.23ae0f` |  |
| lattice 4e z | 0.1003 not_printed | 0 | Cr2Cr (C36); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 40; `ORC-TDZ65XBF4Y.2af452` |  |
| lattice 4f z | 0.0464 not_printed | 0 | Cr2Cr (C14); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 30; `ORC-XAZKHH6FQZ.47e017` |  |
| lattice 4f z 1 | 0.8485 not_printed | 0 | Cr2Cr (C36); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 40; `ORC-TDZ65XBF4Y.deefae` |  |
| lattice 4f z 2 | 0.1236 not_printed | 0 | Cr2Cr (C36); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 40; `ORC-TDZ65XBF4Y.02176a` |  |
| lattice 6h x | 0.8289 not_printed | 0 | Cr2Cr (C14); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 30; `ORC-XAZKHH6FQZ.035c51` |  |
| lattice 6h x | 0.1623 not_printed | 0 | Cr2Cr (C36); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 40; `ORC-TDZ65XBF4Y.066cd4` |  |
| lattice 6h y | 0.6578 not_printed | 0 | Cr2Cr (C14); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 30; `ORC-XAZKHH6FQZ.395d5a` |  |
| lattice 6h y | 0.3247 not_printed | 0 | Cr2Cr (C36); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 40; `ORC-TDZ65XBF4Y.23295c` |  |
| lattice v atom | 1.16327 10^7 pm^3 |  | AFM BCC Cr; _alloy: Hf 0, Ti 0_ | unspecified | [1] Pavlů 2010 | Table 1, p. 3, row 8; `ORC-MYGV625N6C.dcf7f9` |  |
| lattice v atom | 1.19117 10^7 pm^3 | 0 | Cr2Cr (C14); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 30; `ORC-XAZKHH6FQZ.548db0` |  |
| lattice v atom | 1.18726 10^7 pm^3 | 0 | Cr2Cr (C15); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 31; `ORC-UIXXP7FW7J.4a8c11` |  |
| lattice v atom | 1.18893 10^7 pm^3 | 0 | Cr2Cr (C36); _alloy: Hf 0, Ti 0_ | DFT | [1] Pavlů 2010 | Table 2, p. 3, row 40; `ORC-TDZ65XBF4Y.d4484f` |  |
| lattice v atom | 1.19281 10^7 pm^3 | 298.15 | AFM BCC Cr; _alloy: Hf 0, Ti 0_ | experimental | [1] Pavlů 2010; _cites Moroni 1993_ [doi](https://doi.org/10.1103/physrevb.47.3255) | Table 1, p. 3, row 7; `ORC-3XY4GAER2L.f9196c` |  |

## Sources

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

1. 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)

## 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/).
