# Cs–In system > Cs–In system: 12 accepted literature values (crystal structure 12) and 1 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote. HTML: https://data.orchid-project.org/systems/CS-IN.html · Markdown: https://data.orchid-project.org/systems/CS-IN.md 12 accepted literature values from 1 paper(s) (experimental 4, DFT 8); 1 calculated phase diagram(s). Data: [JSON](https://data.orchid-project.org/literature/systems/CS-IN.json) · [CSV](https://data.orchid-project.org/systems/CS-IN.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#CS-IN) · [interactive phase diagram](https://orchid-project.org/phase-diagrams/#CS-IN/CsIn-10Lee.json) · [phases (7)](https://data.orchid-project.org/phases/pages/CS-IN.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/CS-IN.html) · [Markdown](https://data.orchid-project.org/systems/CS-IN.md) Table: Accepted values by evidence class | Evidence class | Values | |---|---:| | experimental | 4 | | DFT | 8 | Table: Accepted values by property group | Property group | Values | |---|---:| | crystal structure | 12 | ## Calculated phase diagrams Binary phase diagrams calculated with pycalphad 0.11.2 from the SGTE binary collection (Hallstedt 2025, CC BY 4.0). Evidence class: model. Table: Assessments with a calculated phase diagram | TDB file | Assessment | SHA-256 | Links | |---|---|---|---| | CsIn-10Lee.tdb | S.H. Lee, Z.-K. Liu, Calphad, 34, 134-37(2010). [doi:10.1016/j.calphad.2010.01.005](https://doi.org/10.1016/j.calphad.2010.01.005) | `b36e9eae5cebe1d277ee88cadbd535ba3cbd9cc7564ae12ef26bc5d364aa9992` | [viewer](https://orchid-project.org/phase-diagrams/#CS-IN/CsIn-10Lee.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/CsIn-10Lee.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/CsIn-10Lee.json) | Table: Calculated three-phase invariants (model, mole fraction of the second component) | TDB file | T (K) | Phases at the invariant | |---|---:|---| | CsIn-10Lee.tdb | 837.17 | LIQUID#2 (x(In) 0.1109) + CS2IN3 (x(In) 0.6) + LIQUID (x(In) 0.60889) | | CsIn-10Lee.tdb | 757.07 | CS2IN3 (x(In) 0.6) + CSIN3 (x(In) 0.75) + LIQUID (x(In) 0.80554) | | CsIn-10Lee.tdb | 757.07 | CS2IN3 (x(In) 0.6) + CSIN3 (x(In) 0.75) + LIQUID (x(In) 0.80579) | | CsIn-10Lee.tdb | 757.07 | CS2IN3 (x(In) 0.6) + CSIN3 (x(In) 0.75) + LIQUID (x(In) 0.80527) | | CsIn-10Lee.tdb | 421.87 | CSIN3 (x(In) 0.75) + LIQUID (x(In) 0.98791) + TETRAGONAL_A6 (x(In) 1) | | CsIn-10Lee.tdb | 421.87 | CSIN3 (x(In) 0.75) + LIQUID (x(In) 0.98795) + TETRAGONAL_A6 (x(In) 1) | | CsIn-10Lee.tdb | 421.87 | CSIN3 (x(In) 0.75) + LIQUID (x(In) 0.988) + TETRAGONAL_A6 (x(In) 1) | | CsIn-10Lee.tdb | 421.87 | CSIN3 (x(In) 0.75) + LIQUID (x(In) 0.988) + TETRAGONAL_A6 (x(In) 1) | | CsIn-10Lee.tdb | 301.59 | LIQUID (x(In) 0) + BCC_A2 (x(In) 1.000e-5) + CS2IN3 (x(In) 0.6) | | CsIn-10Lee.tdb | 301.59 | LIQUID (x(In) 0) + BCC_A2 (x(In) 1.000e-5) + CS2IN3 (x(In) 0.6) | Convex hulls: [Materials Project DFT hull](https://data.orchid-project.org/hulls/dft-mp/CS/CS-IN.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/CS/CS-IN.json) ## Other properties ### Crystal structure (12) Table: Crystal structure, Cs–In system | Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote | |---|---:|---:|---|---|---|---|---| | Lattice a | 7.062 Å | 0 | Cs2In3; _alloy: In 0.6_ | DFT | [1] Lee 2010 | Table 1, p. 2, row 11; `ORC-3WQRMVZJZO.6a74f3` | | | Lattice a | 7.062 Å | 0 | Cs2In3; _alloy: In 0.6_ | DFT | [1] Lee 2010 | Table 1, p. 2, row 8; `ORC-FZWVLKETHW.41fbf6` | | | Lattice a | 6.91 not_printed ± 0.003 | | Cs2In3; _alloy: In 0.6_ | experimental | [1] Lee 2010; _cites Yatsenko 1985_ [doi](https://doi.org/10.1016/0022-5088%2885%2990228-0) | Table 1, p. 2, row 9; `ORC-M255UGUYHG.6103e3` | | | Lattice a | 7.197 Å | 0 | CsIn3; _alloy: In 0.75_ | DFT | [1] Lee 2010 | Table 1, p. 2, row 6; `ORC-75E3EQ2C6C.c76fbb` | | | Lattice a | 7.197 Å | 0 | CsIn3; _alloy: In 0.75_ | DFT | [1] Lee 2010 | Table 1, p. 2, row 10; `ORC-BDA54TMTYR.27fb3d` | | | Lattice a | 7.047 not_printed ± 0.004 | | CsIn3; _alloy: In 0.75_ | experimental | [1] Lee 2010; _cites Tschuntonow 1984_ [doi](https://doi.org/10.1016/0022-5088%2884%2990331-x) | Table 1, p. 2, row 7; `ORC-KYL3KWUIBI.dd5d17` | | | Lattice c | 16.824 Å | 0 | Cs2In3; _alloy: In 0.6_ | DFT | [1] Lee 2010 | Table 1, p. 2, row 11; `ORC-3WQRMVZJZO.34e368` | | | Lattice c | 16.824 Å | 0 | Cs2In3; _alloy: In 0.6_ | DFT | [1] Lee 2010 | Table 1, p. 2, row 8; `ORC-FZWVLKETHW.6e394b` | | | Lattice c | 16.612 not_printed ± 0.007 | | Cs2In3; _alloy: In 0.6_ | experimental | [1] Lee 2010; _cites Yatsenko 1985_ [doi](https://doi.org/10.1016/0022-5088%2885%2990228-0) | Table 1, p. 2, row 9; `ORC-M255UGUYHG.14fd5c` | | | Lattice c | 17.109 Å | 0 | CsIn3; _alloy: In 0.75_ | DFT | [1] Lee 2010 | Table 1, p. 2, row 6; `ORC-75E3EQ2C6C.a4cecf` | | | Lattice c | 17.109 Å | 0 | CsIn3; _alloy: In 0.75_ | DFT | [1] Lee 2010 | Table 1, p. 2, row 10; `ORC-BDA54TMTYR.472f53` | | | Lattice c | 16.803 not_printed ± 0.007 | | CsIn3; _alloy: In 0.75_ | experimental | [1] Lee 2010; _cites Tschuntonow 1984_ [doi](https://doi.org/10.1016/0022-5088%2884%2990331-x) | Table 1, p. 2, row 7; `ORC-KYL3KWUIBI.9aa2f3` | | ## Sources Reporting papers the values were read from (a value cited from another work names that work in its row). 1. Sung Hoon Lee, Zi-Kui Liu, First-principles calculations and thermodynamic modeling of Cs–In system, Calphad 34, 134-137 (2010). [doi:10.1016/j.calphad.2010.01.005](https://doi.org/10.1016/j.calphad.2010.01.005) ## 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-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). https://doi.org/10.5281/zenodo.23735859 - 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); 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_phase_diagrams_2026, author = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon}, title = {{ORCHID-Diagrams: calculated binary phase diagrams}}, version = {2026.10}, publisher = {Zenodo}, year = {2026}, doi = {10.5281/zenodo.23735859}, url = {https://doi.org/10.5281/zenodo.23735859} } @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=\, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).