# Cr3Ga: enthalpy of formation

> Enthalpy of formation of Cr3Ga: 15 literature value(s) with sources, pages and quotes and DFT values (Materials Project / OQMD), from ORCHID.

HTML: https://data.orchid-project.org/compounds/Cr3Ga.html · Markdown: https://data.orchid-project.org/compounds/Cr3Ga.md

15 accepted literature formation-enthalpy value(s) (experimental 9, model 6); experimental median -3.3 kJ/mol-atom (n = 1); Materials Project -4.035 kJ/mol-atom (mp-aaaaabvj); OQMD -5.328 kJ/mol-atom (oqmd-29544).

Systems: [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html)

## Literature values

Table: Enthalpy of formation of Cr3Ga reported in the literature (15)

| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---:|---|---:|---|---|---|---|---|---|
| -8.56 kJ/mol (basis unstated) | α-Cr3Ga | 1323.15 | experimental | calorimetry | [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html) | [1] Belgacem-Bouzida 2005 | Table 1, p. 3, row 2; `ORC-CG5RML5MZE.101824` |  |
| -8.1 kJ/mol (basis unstated) | α-Cr3Ga | 1323.15 | experimental | calorimetry | [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html) | [1] Belgacem-Bouzida 2005 | Table 1, p. 3, row 2; `ORC-CG5RML5MZE.f69791` |  |
| -8.1 kJ/mol (basis unstated) ± 0.3 | Cr3Ga (α) | 298.15 | experimental | Direct reaction | [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html) | [1] Belgacem-Bouzida 2005 | Table 4, p. 4, row 4; `ORC-YGA7IGDSYT.4883a2` |  |
| -7.97 kJ/mol (basis unstated) | α-Cr3Ga | 1323.15 | experimental | calorimetry | [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html) | [1] Belgacem-Bouzida 2005 | Table 1, p. 3, row 4; `ORC-BCXMPWE2FO` |  |
| -7.76 kJ/mol (basis unstated) | α-Cr3Ga | 1323.15 | experimental | calorimetry | [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html) | [1] Belgacem-Bouzida 2005 | Table 1, p. 3, row 3; `ORC-A4UOZ35KKG` |  |
| -7.25 kJ/mol (basis unstated) | β-Cr3Ga | 1423.15 | experimental | calorimetry | [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html) | [1] Belgacem-Bouzida 2005 | Table 2, p. 3, row 1; `ORC-23WTCH5NJA` |  |
| -7.25 kJ/mol (basis unstated) ± 0.7 | Cr3Ga (β) | 298.15 | experimental | Direct reaction | [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html) | [1] Belgacem-Bouzida 2005 | Table 4, p. 4, row 6; `ORC-DMAPRTZ5PN.8e7adf` |  |
| -3.3 kJ/mol-atom | Cr3Ga | 850 | experimental |  | [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html) | [2] Gröbner 1999; _cites Gonchuruk 1981_ | Table 1, p. 2, row 42; `ORC-53IIUR4NZJ` |  |
| -3.3 kJ/mol (basis unstated) | Cr3Ga (α) | 298.15 | experimental | EMF | [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html) | [1] Belgacem-Bouzida 2005; _cites Goncharuk 1981_ | Table 4, p. 4, row 1; `ORC-QKSWTRNKAC.21cf2d` |  |
| -12 kJ/mol (basis unstated) | Cr3Ga (α) |  | model | Semi-empirical model | [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html) | [1] Belgacem-Bouzida 2005; _cites Djaballah 1999_ | Table 4, p. 4, row 3; `ORC-B7HQFH6PTM.f0b169` |  |
| -12 kJ/mol-atom | Cr3Ga | 298.15 | model |  | [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html) | [2] Gröbner 1999; _cites F 1988_ | Table 1, p. 2, row 44; `ORC-HPVWA4L4FN` |  |
| -9.75 kJ/mol (basis unstated) | Cr3Ga (α) |  | model | Assessed | [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html) | [1] Belgacem-Bouzida 2005; _cites Grobner 1999_ [doi](https://doi.org/10.1361/105497199770340608) | Table 4, p. 4, row 2; `ORC-M5YUOI26LF.36378e` |  |
| -9.75 kJ/mol-atom | Cr3Ga | 298.15 | model |  | [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html) | [2] Gröbner 1999 | Table 1, p. 2, row 43; `ORC-O4PI5Z75L3` |  |
| -8.24 kJ/mol (basis unstated) | Cr3Ga (α) |  | model | Assessed | [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html) | [1] Belgacem-Bouzida 2005 | Table 4, p. 4, row 5; `ORC-IMJ2YHKYO4.557482` |  |
| -6.98 kJ/mol (basis unstated) | Cr3Ga (β) |  | model | Assessed | [Cr–Ga](https://data.orchid-project.org/systems/CR-GA.html) | [1] Belgacem-Bouzida 2005 | Table 4, p. 4, row 7; `ORC-VXXPI7UC5G.564607` |  |

### Uncertainty budget

Components kept separate, in the value's unit (literature [SCHEMA.md](https://data.orchid-project.org/literature/SCHEMA.md), [UNCERTAINTY_CALIBRATION.md](https://data.orchid-project.org/literature/UNCERTAINTY_CALIBRATION.md)): effective = max(sqrt(max(printed, reading, method)^2 + composition^2 + conversion^2), scatter). The method floor is the robust between-study scatter of the method class in ORCHID (calibrated) or a documented prior; printed values and printed uncertainties are unchanged.

Table: Uncertainty budget of the literature values of Cr3Ga

| Value | Unit | Printed | Reading | Method (class, basis) | Composition | Scatter | Conversion | Effective |
|---:|---|---:|---:|---|---:|---:|---:|---:|
| -8.56 | kJ/mol (basis unstated) |  | 5.000e-4 | 12.8 (solution_reaction_calorimetry, calibrated) |  |  |  | 12.8 |
| -8.1 | kJ/mol (basis unstated) |  | 5.000e-4 | 12.8 (solution_reaction_calorimetry, calibrated) |  |  |  | 12.8 |
| -8.1 | kJ/mol (basis unstated) | 0.3 | 0.05 | 12.8 (solution_reaction_calorimetry, calibrated) |  |  |  | 12.8 |
| -7.97 | kJ/mol (basis unstated) |  | 5.000e-4 | 12.8 (solution_reaction_calorimetry, calibrated) |  |  |  | 12.8 |
| -7.76 | kJ/mol (basis unstated) |  | 5.000e-4 | 12.8 (solution_reaction_calorimetry, calibrated) |  |  |  | 12.8 |
| -7.25 | kJ/mol (basis unstated) |  | 5.000e-4 | 12.8 (solution_reaction_calorimetry, calibrated) |  |  |  | 12.8 |
| -7.25 | kJ/mol (basis unstated) | 0.7 | 0.005 | 12.8 (solution_reaction_calorimetry, calibrated) |  |  |  | 12.8 |
| -3.3 | kJ/mol-atom |  | 0.05 | 3.5 (unknown, calibrated) |  |  |  | 3.5 |
| -3.3 | kJ/mol (basis unstated) |  | 0.05 | 18.4 (emf, cleaned_below_threshold) |  |  |  | 18.4 |
| -12 | kJ/mol (basis unstated) |  | 0.5 | 15.6 (model_calculated, calibrated) |  |  |  | 15.6 |
| -12 | kJ/mol-atom |  | 0.5 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -9.75 | kJ/mol (basis unstated) |  | 0.005 | 15.6 (model_calculated, calibrated) |  |  |  | 15.6 |
| -9.75 | kJ/mol-atom |  | 0.005 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -8.24 | kJ/mol (basis unstated) |  | 0.005 | 15.6 (model_calculated, calibrated) |  |  |  | 15.6 |
| -6.98 | kJ/mol (basis unstated) |  | 0.005 | 15.6 (model_calculated, calibrated) |  |  |  | 15.6 |

## DFT formation energies

Lowest-energy entries at this composition. Materials Project and OQMD use different energy references and are never averaged. 1 eV/atom = 96.485 kJ/mol-atom.

Table: DFT formation energy of Cr3Ga

| Source | Entry | kJ/mol-atom | eV/atom | Space group | E above hull (kJ/mol-atom) | E above hull (eV/atom) | Theoretical |
|---|---|---:|---:|---|---:|---:|---|
| Materials Project | mp-aaaaabvj | -4.035 | -0.041815 | Pm-3n | 0.679 | 0.007 | no |
| OQMD | oqmd-29544 | -5.328 | -0.055225 | Pm-3n | 0 | 0 | no |

DFT sources: A. Jain et al., Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013) 011002. [doi:10.1063/1.4812323](https://doi.org/10.1063/1.4812323) (CC BY 4.0); J. E. Saal et al., JOM 65 (2013) 1501-1509; S. Kirklin et al., npj Comput. Mater. 1 (2015) 15010. [doi:10.1007/s11837-013-0755-4](https://doi.org/10.1007/s11837-013-0755-4) (CC BY 4.0); 

## Sources

1. A. Belgacem-Bouzida, Y. Djaballah, M. Notin, Calorimetric measurement of the intermetallic compounds Cr3Ga and CrGa4 and thermodynamic assessment of the (Cr–Ga) system, Journal of Alloys and Compounds 397, 155-160 (2005). [doi:10.1016/j.jallcom.2005.01.026](https://doi.org/10.1016/j.jallcom.2005.01.026)
2. J. Gröbner, R. Wenzel, G. G. Fischer, R. Schmid-Fetzer, Thermodynamic calculation of the binary systems M-Ga and investigation of ternary M-Ga-N phase equilibria (M=Ni, Co, Pd, Cr), JPE 20, 615-625 (1999). [doi:10.1361/105497199770340608](https://doi.org/10.1361/105497199770340608)

## 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-Parity: DFT-vs-experiment formation-enthalpy benchmark (version 2026.10; Version 1, machine-extracted), Zenodo (2026). https://doi.org/10.5281/zenodo.23735943
- 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); G. Kim, S. V. Meschel, P. Nash, W. Chen, Experimental formation enthalpies for intermetallic phases and other inorganic compounds, Scientific Data 4 (2017) 170162, https://doi.org/10.1038/sdata.2017.162; 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_dft_benchmark_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Parity: DFT-vs-experiment formation-enthalpy benchmark}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735943},
  url       = {https://doi.org/10.5281/zenodo.23735943},
  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/).