# GdTl3: enthalpy of formation

> Enthalpy of formation of GdTl3: 4 literature value(s) with sources, pages and quotes and DFT values (Materials Project / OQMD), from ORCHID.

HTML: https://data.orchid-project.org/compounds/GdTl3.html · Markdown: https://data.orchid-project.org/compounds/GdTl3.md

4 accepted literature formation-enthalpy value(s) (experimental 2, model 2); experimental median -36.6 kJ/mol-atom (n = 2); Materials Project -24.45 kJ/mol-atom (mp-aaaabeip); OQMD -23.932 kJ/mol-atom (oqmd-30424).

Systems: [Gd–Tl](https://data.orchid-project.org/systems/GD-TL.html)

## Literature values

Table: Enthalpy of formation of GdTl3 reported in the literature (4)

| Value | Phase as printed | T (K) | Class | Method | System | Source | Location | Quote |
|---:|---|---:|---|---|---|---|---|---|
| -36.8 kJ/mol-atom | GdTl3 | 298.15 | experimental |  | [Gd–Tl](https://data.orchid-project.org/systems/GD-TL.html) | [1] Guo 2010; _cites Palenzona 1974_ [doi](https://doi.org/10.1016/0040-6031%2874%2980039-0) | p. 4; `ORC-LEAC2EMD7X.755c02` | “The enthalpy of formation of the compound GdTl3 at 298 K were determined by Palenzona and Cirafici \[11\] and Demykina et al. \[12\]. Because the enthalpy of formation -42.06 kJ/mol of atoms for GdTl3 predicted by the revised Miedema model is more exothermic than the experimental results -36.8 and -36.4 kJ/mol of atoms \[11,12\], in the present work, the experimental data determined by Palenzona and Ci…” |
| -36.4 kJ/mol-atom | GdTl3 | 298.15 | experimental |  | [Gd–Tl](https://data.orchid-project.org/systems/GD-TL.html) | [1] Guo 2010; _cites Demykina 1980_ | p. 4; `ORC-LEAC2EMD7X.f2ddff` | “The enthalpy of formation of the compound GdTl3 at 298 K were determined by Palenzona and Cirafici \[11\] and Demykina et al. \[12\]. Because the enthalpy of formation -42.06 kJ/mol of atoms for GdTl3 predicted by the revised Miedema model is more exothermic than the experimental results -36.8 and -36.4 kJ/mol of atoms \[11,12\], in the present work, the experimental data determined by Palenzona and Ci…” |
| -42.06 kJ/mol-atom | GdTl3 | 298.15 | model |  | [Gd–Tl](https://data.orchid-project.org/systems/GD-TL.html) | [1] Guo 2010 | p. 4; `ORC-LEAC2EMD7X.d3d4eb` | “The enthalpy of formation of the compound GdTl3 at 298 K were determined by Palenzona and Cirafici \[11\] and Demykina et al. \[12\]. Because the enthalpy of formation -42.06 kJ/mol of atoms for GdTl3 predicted by the revised Miedema model is more exothermic than the experimental results -36.8 and -36.4 kJ/mol of atoms \[11,12\], in the present work, the experimental data determined by Palenzona and Ci…” |
| -42.06 kJ/mol-atom | GdTl3 | 298.15 | model | revised Miedema model | [Gd–Tl](https://data.orchid-project.org/systems/GD-TL.html) | [1] Guo 2010 | p. 1; `ORC-QSJIPIFECV.8d5e6e` | “In the present work, the enthalpies of formation of compounds Gd2 Tl, Gd5 Tl3 , GdTl, Gd3 Tl5 , and GdTl3 at 298 K were predicted using revised Miedema model \[13\], in kJ/mol of atoms: Gd2 Tl -54.4, Gd5 Tl3 -59.2, GdTl -65.8, Gd3 Tl5 -59.05 and GdTl3 -42.06.” |

### 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 GdTl3

| Value | Unit | Printed | Reading | Method (class, basis) | Composition | Scatter | Conversion | Effective |
|---:|---|---:|---:|---|---:|---:|---:|---:|
| -36.8 | kJ/mol-atom |  | 0.05 | 3.5 (unknown, calibrated) |  |  |  | 3.5 |
| -36.4 | kJ/mol-atom |  | 0.05 | 3.5 (unknown, calibrated) |  |  |  | 3.5 |
| -42.06 | kJ/mol-atom |  | 0.005 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |
| -42.06 | kJ/mol-atom |  | 0.005 | 3.9 (model_calculated, calibrated) |  |  |  | 3.9 |

## 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 GdTl3

| Source | Entry | kJ/mol-atom | eV/atom | Space group | E above hull (kJ/mol-atom) | E above hull (eV/atom) | Theoretical |
|---|---|---:|---:|---|---:|---:|---|
| Materials Project | mp-aaaabeip | -24.45 | -0.253409 | Pm-3m | 0 | 0 | no |
| OQMD | oqmd-30424 | -23.932 | -0.248038 | Pm-3m | 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. Cuiping Guo, Changrong Li, Zhenmin Du, A thermodynamic modeling of the Gd–Tl system, Journal of Alloys and Compounds 492, 122-127 (2010). [doi:10.1016/j.jallcom.2009.11.101](https://doi.org/10.1016/j.jallcom.2009.11.101)

## 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/).