# Bi–Se system

> Bi–Se system: 97 accepted literature values (formation 38, invariant reaction 38, crystal structure 14, phase transition 7) and 4 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

HTML: https://data.orchid-project.org/systems/BI-SE.html · Markdown: https://data.orchid-project.org/systems/BI-SE.md

97 accepted literature values from 2 paper(s) (experimental 45, model 19, DFT 19, unspecified 14); 4 calculated phase diagram(s). 28 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: [JSON](https://data.orchid-project.org/literature/systems/BI-SE.json) · [CSV](https://data.orchid-project.org/systems/BI-SE.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#BI-SE) · [interactive phase diagram](https://orchid-project.org/phase-diagrams/#BI-SE/BiSe-14Che.json) · [phases (14)](https://data.orchid-project.org/phases/pages/BI-SE.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/BI-SE.html) · [Markdown](https://data.orchid-project.org/systems/BI-SE.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 45 |
| model | 19 |
| DFT | 19 |
| unspecified | 14 |

Table: Accepted values by property group

| Property group | Values |
|---|---:|
| invariant reaction | 38 |
| phase transition | 7 |
| formation | 38 |
| crystal structure | 14 |

## 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 |
|---|---|---|---|
| BiSe-14Che.tdb | Y. Chen, Y. Liu, M. Chu, L. Wang, J. Alloys Compd., 617, 423-28(2014). [doi:10.1016/j.jallcom.2014.08.001](https://doi.org/10.1016/j.jallcom.2014.08.001) | `0fcdd9b2c60c49ee08943b63671a390da2e9df66f9ff4e2c1034dfab3ba7eabc` | [viewer](https://orchid-project.org/phase-diagrams/#BI-SE/BiSe-14Che.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/BiSe-14Che.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/BiSe-14Che.json) |
| BiSe-18Pet.tdb | M. Peters, unpublished, 2018. | `786c91341c5c9003b78f7acd17d95196b5acf47c433390d9b5a82956eda3acb8` | [viewer](https://orchid-project.org/phase-diagrams/#BI-SE/BiSe-18Pet.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/BiSe-18Pet.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/BiSe-18Pet.json) |
| BiSe-20Che.tdb | S.-W. Chen, Y. Hutabalian, W. Gierlotka, C.-H. Wang, S.-T. Lu, Calphad, 68, 101744(2020). [doi:10.1016/j.calphad.2020.101744](https://doi.org/10.1016/j.calphad.2020.101744) | `3896c882c74c844786ec3c9eaa72d3773fe6713a2ba0949b1319cc8f5d9abbf9` | [viewer](https://orchid-project.org/phase-diagrams/#BI-SE/BiSe-20Che.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/BiSe-20Che.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/BiSe-20Che.json) |
| BiSe-24Zho.tdb | J. Zhou, J. Wang, B. Hu, D. Cui, J. Phase Equilib. Diffus., 45, 89-113(2024). [doi:10.1007/s11669-024-01093-z](https://doi.org/10.1007/s11669-024-01093-z) | `145dfc0591be392799707c0cfc95e3cfc62ddd837c7b14a57a46e5ad6acea414` | [viewer](https://orchid-project.org/phase-diagrams/#BI-SE/BiSe-24Zho.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/BiSe-24Zho.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/BiSe-24Zho.json) |

Table: Calculated three-phase invariants (model, mole fraction of the second component)

| TDB file | T (K) | Phases at the invariant |
|---|---:|---|
| BiSe-14Che.tdb | 879.98 | LIQUID (x(Se) 0.46687) + BISE (x(Se) 0.55649) + BI2SE3_C33 (x(Se) 0.6) |
| BiSe-14Che.tdb | 877.04 | BI2SE3_C33 (x(Se) 0.6) + LIQUID (x(Se) 0.72151) + LIQUID#2 (x(Se) 0.94998) |
| BiSe-14Che.tdb | 743.91 | LIQUID (x(Se) 0.20683) + BI3SE2 (x(Se) 0.4) + BISE (x(Se) 0.44225) |
| BiSe-14Che.tdb | 543.94 | RHOMBOHEDRAL_A7 (x(Se) 0) + LIQUID (x(Se) 0.00785) + BI3SE2 (x(Se) 0.4) |
| BiSe-14Che.tdb | 494 | BI2SE3_C33 (x(Se) 0.6) + HEXAGONAL_A8 (x(Se) 1) + LIQUID (x(Se) 1) |
| BiSe-18Pet.tdb | 895.32 | LIQUID (x(Se) 0.4527) + BI4SE5 (x(Se) 0.55556) + BI2SE3_C33 (x(Se) 0.59944) |
| BiSe-18Pet.tdb | 882.38 | BI2SE3_C33 (x(Se) 0.6002) + LIQUID#2 (x(Se) 0.70387) + LIQUID (x(Se) 0.92527) |
| BiSe-18Pet.tdb | 746.02 | LIQUID (x(Se) 0.16113) + BI3SE2 (x(Se) 0.4) + BI4SE5 (x(Se) 0.55556) |
| BiSe-18Pet.tdb | 544.48 | RHOMBOHEDRAL_A7 (x(Se) 0) + LIQUID (x(Se) 8.500e-4) + BI3SE2 (x(Se) 0.4) |
| BiSe-18Pet.tdb | 494 | BI2SE3_C33 (x(Se) 0.60002) + HEXAGONAL_A8 (x(Se) 1) + LIQUID (x(Se) 1) |
| BiSe-20Che.tdb | 887.03 | LIQUID (x(Se) 0.47781) + BISE (x(Se) 0.56195) + BI2SE3_C33 (x(Se) 0.6) |
| BiSe-20Che.tdb | 877.22 | BI2SE3_C33 (x(Se) 0.6) + LIQUID (x(Se) 0.72148) + LIQUID#2 (x(Se) 0.94996) |
| BiSe-20Che.tdb | 543.84 | RHOMBOHEDRAL_A7 (x(Se) 0) + LIQUID (x(Se) 0.0091) + BISE (x(Se) 0.40604) |
| BiSe-20Che.tdb | 494 | BI2SE3_C33 (x(Se) 0.6) + HEXAGONAL_A8 (x(Se) 1) + LIQUID (x(Se) 1) |
| BiSe-24Zho.tdb | 935.36 | BI3SE4 (x(Se) 0.57143) + LIQUID (x(Se) 0.57232) + BI2SE3_C33 (x(Se) 0.6) |
| BiSe-24Zho.tdb | 884.69 | LIQUID (x(Se) 0.44398) + BI8SE9 (x(Se) 0.52941) + BI3SE4 (x(Se) 0.57143) |
| BiSe-24Zho.tdb | 871.96 | BI2SE3_C33 (x(Se) 0.6) + LIQUID (x(Se) 0.69307) + LIQUID#2 (x(Se) 0.96973) |
| BiSe-24Zho.tdb | 868.99 | LIQUID (x(Se) 0.41465) + BISE (x(Se) 0.5) + BI8SE9 (x(Se) 0.52941) |
| BiSe-24Zho.tdb | 855.48 | LIQUID (x(Se) 0.38737) + BI8SE7 (x(Se) 0.46667) + BISE (x(Se) 0.5) |
| BiSe-24Zho.tdb | 855.48 | LIQUID (x(Se) 0.3873) + BI8SE7 (x(Se) 0.46667) + BISE (x(Se) 0.5) |
| BiSe-24Zho.tdb | 830.56 | LIQUID (x(Se) 0.33548) + BI4SE3 (x(Se) 0.42857) + BI8SE7 (x(Se) 0.46667) |
| BiSe-24Zho.tdb | 830.56 | LIQUID (x(Se) 0.33549) + BI4SE3 (x(Se) 0.42857) + BI8SE7 (x(Se) 0.46667) |
| BiSe-24Zho.tdb | 742.18 | LIQUID (x(Se) 0.18467) + BI3SE2 (x(Se) 0.4) + BI4SE3 (x(Se) 0.42857) |
| BiSe-24Zho.tdb | 742.18 | LIQUID (x(Se) 0.18439) + BI3SE2 (x(Se) 0.4) + BI4SE3 (x(Se) 0.42857) |
| BiSe-24Zho.tdb | 544.32 | RHOMBOHEDRAL_A7 (x(Se) 0) + LIQUID (x(Se) 0.00307) + BI3SE2 (x(Se) 0.4) |
| BiSe-24Zho.tdb | 494 | BI2SE3_C33 (x(Se) 0.6) + HEXAGONAL_A8 (x(Se) 1) + LIQUID (x(Se) 1) |

Convex hulls: [Materials Project DFT hull](https://data.orchid-project.org/hulls/dft-mp/BI/BI-SE.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/BI/BI-SE.json) · [CALPHAD hull BiSe-14Che](https://data.orchid-project.org/hulls/calphad-sgte/BI/BI-SE--BiSe-14Che.json) · [CALPHAD hull BiSe-18Pet](https://data.orchid-project.org/hulls/calphad-sgte/BI/BI-SE--BiSe-18Pet.json) · [CALPHAD hull BiSe-20Che](https://data.orchid-project.org/hulls/calphad-sgte/BI/BI-SE--BiSe-20Che.json)

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the Bi–Se system (38)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 895 | monotectic: Liquid#1 -> Liquid#2 + Bi2Se3 | Bi2Se3: Se 0.6 | unspecified | [1] Zhou 2024; _cites Poretskaya 1991_ | Table 5, p. 9, row 22; `ORC-XT357RHU4Q` |  |
| 891 | monotectic: Liq -> Bi2Se3 + liq | Liq: Se 0.73; Bi2Se3: Bi 0.4, Se 0.6; liq: Se 0.98 | experimental | [2] Chen 2014; _cites Parravano 1931_ | Table 2, p. 4, row 9; `ORC-HI23L32DNW` |  |
| 891 | monotectic: Liquid#1 -> Liquid#2 + Bi2Se3 | Liquid#1: Se 0.73; Liquid#2: Se 0.98; Bi2Se3: Se 0.6 | experimental | [1] Zhou 2024; _cites Parravano 1913_ | Table 5, p. 9, row 20; `ORC-SEH4YSRV3A` |  |
| 890 | peritectic: Liquid#1 + Bi2Se3 -> Bi3Se4 | Liquid#1: Se 0.461; Bi2Se3: Se 0.6; Bi3Se4: Se 0.571 | model | [1] Zhou 2024 | Table 5, p. 9, row 19; `ORC-2O5ZYLVAR6` |  |
| 890 | peritectic: Liquid#1 + Bi2Se3 -> Bi3Se4 | Liquid#1: Se 0.51; Bi2Se3: Se 0.6; Bi3Se4: Se 0.571 | experimental | [1] Zhou 2024; _cites Hasanova 2022_ [doi](https://doi.org/10.1007/s10973-021-10975-0) | Table 5, p. 9, row 18; `ORC-YRR3OIUIMB` |  |
| 889 | monotectic: Liquid#1 -> Liquid#2 + Bi2Se3 | Liquid#1: Se 0.696; Liquid#2: Se 0.97; Bi2Se3: Se 0.6 | model | [1] Zhou 2024 | Table 5, p. 9, row 23; `ORC-5VHPXPQDMX` |  |
| 887 | monotectic: Liq -> Bi2Se3 + liq | Bi2Se3: Bi 0.4, Se 0.6 | experimental | [2] Chen 2014; _cites Ohashi 1966_ | Table 2, p. 4, row 10; `ORC-CYPL7P5VQ6` |  |
| 881 | peritectic: Liquid#1 + Bi3Se4 -> Bi8Se9 | Liquid#1: Se 0.5; Bi3Se4: Se 0.571; Bi8Se9: Se 0.529 | experimental | [1] Zhou 2024; _cites Hasanova 2022_ [doi](https://doi.org/10.1007/s10973-021-10975-0) | Table 5, p. 9, row 16; `ORC-B3L7LPXKDP` |  |
| 881 | peritectic: Liquid#1 + Bi3Se4 -> Bi8Se9 | Liquid#1: Se 0.447; Bi3Se4: Se 0.571; Bi8Se9: Se 0.529 | model | [1] Zhou 2024 | Table 5, p. 9, row 17; `ORC-DDI45ITY5I` |  |
| 879 | Liq + Bi2Se3 -> BiSe | Liq: Se 0.47; Bi2Se3: Bi 0.4, Se 0.6; BiSe: Bi 0.5, Se 0.5 | model | [2] Chen 2014 | Table 2, p. 4, row 5; `ORC-OU5K4TO3HT` |  |
| 878 | Liq + Bi2Se3 -> BiSe | Bi2Se3: Bi 0.4, Se 0.6; BiSe: Bi 0.5, Se 0.5 | experimental | [2] Chen 2014; _cites Parravano 1931_ | Table 2, p. 4, row 6; `ORC-UJAMBMY3AX` |  |
| 878 | monotectic: Liq -> Bi2Se3 + liq | Liq: Se 0.73; Bi2Se3: Bi 0.4, Se 0.6; liq: Se 0.96 | experimental | [2] Chen 2014; _cites Tomoshige 1919_ | Table 2, p. 4, row 11; `ORC-Z6Y3DLRDJ2` |  |
| 878 | monotectic: Liquid#1 -> Liquid#2 + Bi2Se3 | Liquid#1: Se 0.73; Liquid#2: Se 0.96; Bi2Se3: Se 0.6 | experimental | [1] Zhou 2024; _cites Tomoshige 1919_ | Table 5, p. 9, row 21; `ORC-ZGNNERH4M4` |  |
| 876 | monotectic: Liq -> Bi2Se3 + liq | Liq: Se 0.72; Bi2Se3: Bi 0.4, Se 0.6; liq: Se 0.95 | model | [2] Chen 2014 | Table 2, p. 4, row 8; `ORC-UZ3H4OQ3KX` |  |
| 872 | Liq + Bi2Se3 -> BiSe | Bi2Se3: Bi 0.4, Se 0.6; BiSe: Bi 0.5, Se 0.5 | experimental | [2] Chen 2014; _cites Tomoshige 1919_ | Table 2, p. 4, row 7; `ORC-FMBIYSEBJO` |  |
| 866 | peritectic: Liquid#1 + Bi8Se9 -> BiSe | Liquid#1: Se 0.417; Bi8Se9: Se 0.529; BiSe: Se 0.5 | model | [1] Zhou 2024 | Table 5, p. 9, row 15; `ORC-DRQNJUYBQ4` |  |
| 866 | peritectic: Liquid#1 + Bi8Se9 -> BiSe | Liquid#1: Se 0.485; Bi8Se9: Se 0.529; BiSe: Se 0.5 | experimental | [1] Zhou 2024; _cites Hasanova 2022_ [doi](https://doi.org/10.1007/s10973-021-10975-0) | Table 5, p. 9, row 14; `ORC-LYFJ23DRMO` |  |
| 853 | peritectic: Liquid#1 + BiSe -> Bi8Se7 | Liquid#1: Se 0.389; BiSe: Se 0.5; Bi8Se7: Se 0.467 | model | [1] Zhou 2024 | Table 5, p. 9, row 13; `ORC-HJKAKTMU3X` |  |
| 853 | peritectic: Liquid#1 + BiSe -> Bi8Se7 | Liquid#1: Se 0.435; BiSe: Se 0.5; Bi8Se7: Se 0.467 | experimental | [1] Zhou 2024; _cites Hasanova 2022_ [doi](https://doi.org/10.1007/s10973-021-10975-0) | Table 5, p. 9, row 12; `ORC-MLJRX5F5BU` |  |
| 829 | peritectic: Liquid#1 + Bi8Se7 -> Bi4Se3 | Liquid#1: Se 0.4; Bi8Se7: Se 0.467; Bi4Se3: Se 0.429 | experimental | [1] Zhou 2024; _cites Hasanova 2022_ [doi](https://doi.org/10.1007/s10973-021-10975-0) | Table 5, p. 9, row 10; `ORC-CJZRAKUPKZ` |  |
| 829 | peritectic: Liquid#1 + Bi8Se7 -> Bi4Se3 | Liquid#1: Se 0.337; Bi8Se7: Se 0.467; Bi4Se3: Se 0.429 | model | [1] Zhou 2024 | Table 5, p. 9, row 11; `ORC-RJIJMOBXZI` |  |
| 744.1 | Liq + BiSe -> Bi3Se2 | Liq: Se 0.21; BiSe: Bi 0.5, Se 0.5; Bi3Se2: Bi 0.6, Se 0.4 | model | [2] Chen 2014 | Table 2, p. 4, row 2; `ORC-ZNSHZQQLUK` |  |
| 743 | Liq + BiSe -> Bi3Se2 | BiSe: Bi 0.5, Se 0.5; Bi3Se2: Bi 0.6, Se 0.4 | experimental | [2] Chen 2014; _cites Gather 1975_ | Table 2, p. 4, row 3; `ORC-2WKBXVBMOB` |  |
| 743 | Liq + BiSe -> Bi3Se2 | BiSe: Bi 0.5, Se 0.5; Bi3Se2: Bi 0.6, Se 0.4 | experimental | [2] Chen 2014; _cites Sher 1986_ | Table 2, p. 4, row 4; `ORC-ZWXREY3Y7J` |  |
| 742 | peritectic: Liquid#1 + Bi4Se3 -> Bi3Se2 | Liquid#1: Se 0.185; Bi4Se3: Se 0.429; Bi3Se2: Se 0.4 | model | [1] Zhou 2024 | Table 5, p. 9, row 9; `ORC-DXDEDMV772` |  |
| 742 | peritectic: Liquid#1 + Bi4Se3 -> Bi3Se2 | Liquid#1: Se 0.2; Bi4Se3: Se 0.429; Bi3Se2: Se 0.4 | experimental | [1] Zhou 2024; _cites Hasanova 2022_ [doi](https://doi.org/10.1007/s10973-021-10975-0) | Table 5, p. 9, row 8; `ORC-OTRL5HJ7DW` |  |
| 544 | eutectic: Liquid#1 -> (Bi) + Bi3Se2 | Liquid#1: Se 0; (Bi): Se 0; Bi3Se2: Se 0.4 | model | [1] Zhou 2024 | Table 5, p. 9, row 7; `ORC-2DXFWRAOSP` |  |
| 543.9 | eutectic: Liq -> rho + Bi3Se2 | Liq: Se 0.0078; Bi3Se2: Bi 0.6, Se 0.4 | model | [2] Chen 2014 | Table 2, p. 4, row 1; `ORC-53SFJ5IWZI` |  |
| 543 | eutectic: Liquid#1 -> (Bi) + Bi3Se2 | Liquid#1: Se 0; (Bi): Se 0; Bi3Se2: Se 0.4 | unspecified | [1] Zhou 2024; _cites Sher 1986_ | Table 5, p. 9, row 5; `ORC-IVMNTJQMJO` |  |
| 543 | eutectic: Liquid#1 -> (Bi) + Bi3Se2 | Liquid#1: Se 0; (Bi): Se 0; Bi3Se2: Se 0.333 | unspecified | [1] Zhou 2024; _cites Abrikosov 1960_ | Table 5, p. 9, row 3; `ORC-UGRPW6TGJT` |  |
| 542 | eutectic: Liquid#1 -> (Bi) + Bi3Se2 | Liquid#1: Se 0; (Bi): Se 0; Bi3Se2: Se 0.5 | experimental | [1] Zhou 2024; _cites Parravano 1913_ | Table 5, p. 9, row 1; `ORC-OEG4L5ELCC` |  |
| 542 | eutectic: Liquid#1 -> (Bi) + Bi3Se2 | Liquid#1: Se 0; (Bi): Se 0; Bi3Se2: Se 0.4 | experimental | [1] Zhou 2024; _cites Gather 1975_ [doi](https://doi.org/10.1515/ijmr-1975-660607) | Table 5, p. 9, row 4; `ORC-TG5RDBI6RL` |  |
| 542 | eutectic: Liquid#1 -> (Bi) + Bi3Se2 | Liquid#1: Se 0; (Bi): Se 0; Bi3Se2: Se 0.5 | experimental | [1] Zhou 2024; _cites Tomoshige 1919_ | Table 5, p. 9, row 2; `ORC-UB76NKJBQR` |  |
| 540 | eutectic: Liquid#1 -> (Bi) + Bi3Se2 | Liquid#1: Se 0.02; (Bi): Se 0; Bi3Se2: Se 0.4 | experimental | [1] Zhou 2024; _cites Hasanova 2022_ [doi](https://doi.org/10.1007/s10973-021-10975-0) | Table 5, p. 9, row 6; `ORC-OOWR3B3ZEN` |  |
| 497 | eutectic: Liquid#1 -> (Se) + Bi2Se3 | Liquid#1: Se 1; (Se): Se 1; Bi2Se3: Se 0.6 | unspecified | [1] Zhou 2024; _cites Poretskaya 1991_ | Table 5, p. 9, row 25; `ORC-FVLIR6FADA` |  |
| 494 | eutectic: Liq -> Bi2Se3 + hex | Liq: Se 1; Bi2Se3: Bi 0.4, Se 0.6 | model | [2] Chen 2014 | Table 2, p. 4, row 12; `ORC-3I6TWXWH3F` |  |
| 494 | eutectic: Liquid#1 -> (Se) + Bi2Se3 | Liquid#1: Se 1; (Se): Se 1; Bi2Se3: Se 0.6 | model | [1] Zhou 2024 | Table 5, p. 9, row 26; `ORC-ET2FKAGZCR` |  |
| 490 | eutectic: Liquid#1 -> (Se) + Bi2Se3 | Liquid#1: Se 1; (Se): Se 1; Bi2Se3: Se 0.6 | experimental | [1] Zhou 2024; _cites Parravano 1913_ | Table 5, p. 9, row 24; `ORC-KMS3FHVXYK` |  |

## 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, Bi–Se system (38)

| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| Bi2Se3 |  | -66.479 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024; _cites Jain 2013_ [doi](https://doi.org/10.1063/1.4812323) | Table 3, p. 5, row 89; `ORC-QQOHUOXWAB` |  |
| Bi2Se3 |  | -39.764 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024 | Table 3, p. 5, row 91; `ORC-RLXLRHKT2M` |  |
| Bi2Se3 |  | -37.437 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024; _cites Saal 2013_ [doi](https://doi.org/10.1007/s11837-013-0755-4) | Table 3, p. 5, row 90; `ORC-F6WPSSDUDS` |  |
| Bi2Se3 | [Bi2Se3](https://data.orchid-project.org/compounds/Bi2Se3.html) | -30.653 kJ/mol-atom | 298.15 | experimental | -64.589 (mp-aaabevnx) | -37.388 (oqmd-3895) | [1] Zhou 2024; _cites Stolyarova 1990_ | Table 3, p. 5, row 92; `ORC-OSTGUIVUJJ` |  |
| Bi2Se3 | [Bi2Se3](https://data.orchid-project.org/compounds/Bi2Se3.html) | -30.5 kJ/mol-atom | 298.15 | experimental | -64.589 (mp-aaabevnx) | -37.388 (oqmd-3895) | [1] Zhou 2024; _cites Andreeva 1965_ | Table 3, p. 5, row 95; `ORC-JCDHIBDUDI` |  |
| Bi2Se3 | [Bi2Se3](https://data.orchid-project.org/compounds/Bi2Se3.html) | -29 kJ/mol-atom ± 0.8 | 298.15 | experimental | -64.589 (mp-aaabevnx) | -37.388 (oqmd-3895) | [1] Zhou 2024; _cites Sidorko 2008_ [doi](https://doi.org/10.1007/s11106-008-9009-3) | Table 3, p. 5, row 99; `ORC-4JY6KXJ5BR` |  |
| Bi2Se3 | [Bi2Se3](https://data.orchid-project.org/compounds/Bi2Se3.html) | -28.5 kJ/mol-atom ± 0.4 | 298.15 | experimental | -64.589 (mp-aaabevnx) | -37.388 (oqmd-3895) | [1] Zhou 2024; _cites Vasilev 1968_ | Table 3, p. 5, row 97; `ORC-F2UXTZXH6C` |  |
| Bi2Se3 | [Bi2Se3](https://data.orchid-project.org/compounds/Bi2Se3.html) | -28.4 kJ/mol-atom ± 1.2 | 298.15 | experimental | -64.589 (mp-aaabevnx) | -37.388 (oqmd-3895) | [1] Zhou 2024; _cites Boncheva-Mladenova 1968_ | Table 3, p. 5, row 96; `ORC-EABY7UHW54` |  |
| Bi2Se3 | [Bi2Se3](https://data.orchid-project.org/compounds/Bi2Se3.html) | -28.03 kJ/mol-atom ± 0.13 | 298.15 | experimental | -64.589 (mp-aaabevnx) | -37.388 (oqmd-3895) | [1] Zhou 2024; _cites Howlett 1964_ | Table 3, p. 5, row 94; `ORC-MARLO5EQFN` |  |
| Bi2Se3 | [Bi2Se3](https://data.orchid-project.org/compounds/Bi2Se3.html) | -27.92 kJ/mol-atom | 298.15 | experimental | -64.589 (mp-aaabevnx) | -37.388 (oqmd-3895) | [1] Zhou 2024; _cites Hasanova 2021_ [doi](https://doi.org/10.1007/s11837-021-04621-1) | Table 3, p. 5, row 88; `ORC-T72I2OG4J2` |  |
| Bi2Se3 | [Bi2Se3](https://data.orchid-project.org/compounds/Bi2Se3.html) | -27.1 kJ/mol-atom ± 1.2 | 298.15 | experimental | -64.589 (mp-aaabevnx) | -37.388 (oqmd-3895) | [1] Zhou 2024; _cites Bros 1976_ | Table 3, p. 5, row 98; `ORC-ILRXOJWE56` |  |
| Bi2Se3 | [Bi2Se3](https://data.orchid-project.org/compounds/Bi2Se3.html) | -11.63 kJ/mol-atom ± 1.23 | 298.15 | experimental | -64.589 (mp-aaabevnx) | -37.388 (oqmd-3895) | [1] Zhou 2024; _cites Gattow 1955_ [doi](https://doi.org/10.1002/ange.19550671118) | Table 3, p. 5, row 93; `ORC-JCVUNKRB5B` |  |
| Bi3Se2 |  | -26.405 kJ/mol-atom | 298.15 | model |  |  | [1] Zhou 2024 | Table 3, p. 5, row 64; `ORC-BVZNK33RJI` |  |
| Bi3Se2 |  | -26.4 kJ/mol-atom | 298.15 | experimental |  |  | [1] Zhou 2024; _cites Hasanova 2021_ [doi](https://doi.org/10.1007/s11837-021-04621-1) | Table 3, p. 5, row 62; `ORC-CCJTFOHABK` |  |
| Bi3Se2 |  | -24.893 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024; _cites Saal 2013_ [doi](https://doi.org/10.1007/s11837-013-0755-4) | Table 3, p. 5, row 63; `ORC-REKUR5QNIQ` |  |
| Bi3Se4 |  | -60.4 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024; _cites Jain 2013_ [doi](https://doi.org/10.1063/1.4812323) | Table 3, p. 5, row 66; `ORC-2EEPT3JBDQ` |  |
| Bi3Se4 |  | -32.632 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024 | Table 3, p. 5, row 68; `ORC-7FK7WU3QYT` |  |
| Bi3Se4 |  | -30.586 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024; _cites Saal 2013_ [doi](https://doi.org/10.1007/s11837-013-0755-4) | Table 3, p. 5, row 67; `ORC-YL7UEXIVMJ` |  |
| Bi3Se4 | [Bi3Se4](https://data.orchid-project.org/compounds/Bi3Se4.html) | -29.22 kJ/mol-atom | 298.15 | model | -58.388 (mp-aaabewrv) | -30.625 (oqmd-3896) | [1] Zhou 2024 | Table 3, p. 5, row 69; `ORC-7PPATXKJRJ` |  |
| Bi3Se4 | [Bi3Se4](https://data.orchid-project.org/compounds/Bi3Se4.html) | -29.214 kJ/mol-atom | 298.15 | experimental | -58.388 (mp-aaabewrv) | -30.625 (oqmd-3896) | [1] Zhou 2024; _cites Hasanova 2021_ [doi](https://doi.org/10.1007/s11837-021-04621-1) | Table 3, p. 5, row 65; `ORC-GIJFGAPNZN` |  |
| Bi4Se3 |  | -48.34 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024; _cites Jain 2013_ [doi](https://doi.org/10.1063/1.4812323) | Table 3, p. 5, row 84; `ORC-QMDE45RVPQ` |  |
| Bi4Se3 |  | -28.856 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024 | Table 3, p. 5, row 86; `ORC-6AP3XAROO2` |  |
| Bi4Se3 | [Bi4Se3](https://data.orchid-project.org/compounds/Bi4Se3.html) | -27.691 kJ/mol-atom | 298.15 | model | -45.563 (mp-aaaabovv) | -26.325 (oqmd-3871) | [1] Zhou 2024 | Table 3, p. 5, row 87; `ORC-IXCB3J36C6` |  |
| Bi4Se3 | [Bi4Se3](https://data.orchid-project.org/compounds/Bi4Se3.html) | -27.685 kJ/mol-atom | 298.15 | experimental | -45.563 (mp-aaaabovv) | -26.325 (oqmd-3871) | [1] Zhou 2024; _cites Hasanova 2021_ [doi](https://doi.org/10.1007/s11837-021-04621-1) | Table 3, p. 5, row 83; `ORC-4I5SXKRJG3` |  |
| Bi4Se3 |  | -26.341 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024; _cites Saal 2013_ [doi](https://doi.org/10.1007/s11837-013-0755-4) | Table 3, p. 5, row 85; `ORC-ZHRALGFAUO` |  |
| Bi8Se7 |  | -51.813 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024; _cites Jain 2013_ [doi](https://doi.org/10.1063/1.4812323) | Table 3, p. 5, row 79; `ORC-YYQXZ75T7K` |  |
| Bi8Se7 |  | -31.136 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024 | Table 3, p. 5, row 81; `ORC-EVASSGXZGC` |  |
| Bi8Se7 |  | -28.656 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024; _cites Saal 2013_ [doi](https://doi.org/10.1007/s11837-013-0755-4) | Table 3, p. 5, row 80; `ORC-GI6ECRILEG` |  |
| Bi8Se7 | [Bi8Se7](https://data.orchid-project.org/compounds/Bi8Se7.html) | -28.612 kJ/mol-atom | 298.15 | model | -49.302 (mp-aaabmsgc) | -28.627 (oqmd-47594) | [1] Zhou 2024 | Table 3, p. 5, row 82; `ORC-QSFEJCAG3N` |  |
| Bi8Se7 | [Bi8Se7](https://data.orchid-project.org/compounds/Bi8Se7.html) | -28.607 kJ/mol-atom | 298.15 | experimental | -49.302 (mp-aaabmsgc) | -28.627 (oqmd-47594) | [1] Zhou 2024; _cites Hasanova 2021_ [doi](https://doi.org/10.1007/s11837-021-04621-1) | Table 3, p. 5, row 78; `ORC-WUXKJYNQXT` |  |
| Bi8Se9 |  | -59.146 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024; _cites Jain 2013_ [doi](https://doi.org/10.1063/1.4812323) | Table 3, p. 5, row 71; `ORC-R7IAM5HZMG` |  |
| Bi8Se9 |  | -35.125 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024 | Table 3, p. 5, row 73; `ORC-2WSAH6X32J` |  |
| Bi8Se9 |  | -32.709 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024; _cites Saal 2013_ [doi](https://doi.org/10.1007/s11837-013-0755-4) | Table 3, p. 5, row 72; `ORC-6BIKYHF6BF` |  |
| Bi8Se9 | [Bi8Se9](https://data.orchid-project.org/compounds/Bi8Se9.html) | -29.429 kJ/mol-atom | 298.15 | experimental | -56.882 (mp-aaacpsue) | -32.736 (oqmd-47595) | [1] Zhou 2024; _cites Hasanova 2021_ [doi](https://doi.org/10.1007/s11837-021-04621-1) | Table 3, p. 5, row 70; `ORC-KLVPYVWOUG` |  |
| BiSe |  | -55.576 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024; _cites Jain 2013_ [doi](https://doi.org/10.1063/1.4812323) | Table 3, p. 5, row 75; `ORC-GL63GEZ6H7` |  |
| BiSe |  | -33.266 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024 | Table 3, p. 5, row 77; `ORC-RQ7JPYFCZN` |  |
| BiSe |  | -31.165 kJ/mol-atom | 0 | DFT |  |  | [1] Zhou 2024; _cites Saal 2013_ [doi](https://doi.org/10.1007/s11837-013-0755-4) | Table 3, p. 5, row 76; `ORC-QVBJG5RXCX` |  |
| BiSe | [BiSe](https://data.orchid-project.org/compounds/BiSe.html) | -29.25 kJ/mol-atom | 298.15 | experimental | -53.201 (mp-aaaabphe) | -30.829 (oqmd-3916) | [1] Zhou 2024; _cites Hasanova 2021_ [doi](https://doi.org/10.1007/s11837-021-04621-1) | Table 3, p. 5, row 74; `ORC-RIK5PSHMNH` |  |

## Other properties

### Phase transition (7)

Table: Phase transition, Bi–Se system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Phase transition | 961 K | 961 | congruent transformation: Bi2Se3; _alloy: Se 0.6_ | experimental | [2] Chen 2014; _cites Tomoshige 1919_ | Table 3, p. 4, row 7; `ORC-Z2GRLRTR7Z` |  |
| Phase transition | 973 K | 973 | congruent transformation: Bi2Se3; _alloy: Se 0.6_ | experimental | [2] Chen 2014; _cites Kuznetsov 1963_ | Table 3, p. 4, row 6; `ORC-L5O6JBA4YZ` |  |
| Phase transition | 973 K | 973 | congruent transformation: Bi2Se3; _alloy: Se 0.6_ | experimental | [2] Chen 2014; _cites Kulwicki 1963_ | Table 3, p. 4, row 5; `ORC-WOLFQTBV47` |  |
| Phase transition | 977 K | 977 | congruent transformation: Bi2Se3; _alloy: Se 0.6_ | experimental | [2] Chen 2014; _cites Ohashi 1966_ | Table 3, p. 4, row 4; `ORC-L77PRQ2R5V` |  |
| Phase transition | 979 K | 979 | congruent transformation: Bi2Se3; _alloy: Se 0.6_ | experimental | [2] Chen 2014; _cites Pelabon 1904_ [doi](https://doi.org/10.1051/jcp/1904020321) | Table 3, p. 4, row 3; `ORC-GH7XG5MEZD` |  |
| Phase transition | 982 K | 982 | congruent transformation: Bi2Se3; _alloy: Se 0.6_ | model | [2] Chen 2014 | Table 3, p. 4, row 1; `ORC-SYFCLZB5GJ` |  |
| Phase transition | 983 K | 983 | congruent transformation: Bi2Se3; _alloy: Se 0.6_ | experimental | [2] Chen 2014; _cites Yarembash 1962_ | Table 3, p. 4, row 2; `ORC-QW7LLKHKSD` |  |

### Crystal structure (14)

Table: Crystal structure, Bi–Se system

| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---:|---:|---|---|---|---|---|
| Lattice a | 0.4161 Å | 298.15 | Bi2Se3; _alloy: Se 0.6_ | unspecified | [1] Zhou 2024; _cites Sher 1986_ | Table 1, p. 2, row 10; `ORC-AZVO5Z3DP3.3877ef` |  |
| Lattice a | 0.4256 Å | 298.15 | Bi3Se2; _alloy: Se 0.4_ | unspecified | [1] Zhou 2024; _cites Sher 1986_ | Table 1, p. 2, row 4; `ORC-PVQ7KFXJMK.03e36a` |  |
| Lattice a | 0.423 Å | 298.15 | Bi3Se4; _alloy: Se 0.571429_ | unspecified | [1] Zhou 2024; _cites Sher 1986_ | Table 1, p. 2, row 9; `ORC-ULNGJICCI3.fb9e2e` |  |
| Lattice a | 0.427 Å | 298.15 | Bi4Se3; _alloy: Se 0.428571_ | experimental | [1] Zhou 2024; _cites Stasova 1965_ | Table 1, p. 2, row 5; `ORC-VY6M25NUHP.99dfb2` |  |
| Lattice a | 0.422 Å | 298.15 | Bi8Se7; _alloy: Se 0.466667_ | experimental | [1] Zhou 2024; _cites Stasova 1965_ | Table 1, p. 2, row 6; `ORC-JSJADNLBEP.48b565` |  |
| Lattice a | 0.4222 Å | 298.15 | Bi8Se9; _alloy: Se 0.529412_ | unspecified | [1] Zhou 2024; _cites Sher 1986_ | Table 1, p. 2, row 8; `ORC-WA2CLSPLCZ.a87ec6` |  |
| Lattice a | 0.4236 Å | 298.15 | BiSe; _alloy: Se 0.5_ | unspecified | [1] Zhou 2024; _cites Sher 1986_ | Table 1, p. 2, row 7; `ORC-DD2YK2WLGD.0e689b` |  |
| Lattice c | 2.863 Å | 298.15 | Bi2Se3; _alloy: Se 0.6_ | unspecified | [1] Zhou 2024; _cites Sher 1986_ | Table 1, p. 2, row 10; `ORC-AZVO5Z3DP3.165944` |  |
| Lattice c | 5.872 Å | 298.15 | Bi3Se2; _alloy: Se 0.4_ | unspecified | [1] Zhou 2024; _cites Sher 1986_ | Table 1, p. 2, row 4; `ORC-PVQ7KFXJMK.6da559` |  |
| Lattice c | 4.96 Å | 298.15 | Bi3Se4; _alloy: Se 0.571429_ | unspecified | [1] Zhou 2024; _cites Sher 1986_ | Table 1, p. 2, row 9; `ORC-ULNGJICCI3.64c6a0` |  |
| Lattice c | 3.99 Å | 298.15 | Bi4Se3; _alloy: Se 0.428571_ | experimental | [1] Zhou 2024; _cites Stasova 1965_ | Table 1, p. 2, row 5; `ORC-VY6M25NUHP.3d578b` |  |
| Lattice c | 8.565 Å | 298.15 | Bi8Se7; _alloy: Se 0.466667_ | experimental | [1] Zhou 2024; _cites Stasova 1965_ | Table 1, p. 2, row 6; `ORC-JSJADNLBEP.6852f8` |  |
| Lattice c | 9.71 Å | 298.15 | Bi8Se9; _alloy: Se 0.529412_ | unspecified | [1] Zhou 2024; _cites Sher 1986_ | Table 1, p. 2, row 8; `ORC-WA2CLSPLCZ.24e856` |  |
| Lattice c | 2.306 Å | 298.15 | BiSe; _alloy: Se 0.5_ | unspecified | [1] Zhou 2024; _cites Sher 1986_ | Table 1, p. 2, row 7; `ORC-DD2YK2WLGD.906009` |  |

## Sources

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

1. Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui, Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems, J. Phase Equilib. Diffus. 45, 89-113 (2024). [doi:10.1007/s11669-024-01093-z](https://doi.org/10.1007/s11669-024-01093-z)
2. Yang Chen, Yajun Liu, Maoyou Chu, Lijun Wang, Phase diagrams and thermodynamic descriptions for the Bi–Se and Zn–Se binary systems, Journal of Alloys and Compounds 617, 423-428 (2014). [doi:10.1016/j.jallcom.2014.08.001](https://doi.org/10.1016/j.jallcom.2014.08.001)

## 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=\<id>, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).