Bi–Cs system

73 accepted literature values from 1 paper(s) (experimental 23, model 37, DFT 7, unspecified 6); 1 calculated phase diagram(s). 2 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (9) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	23
model	37
DFT	7
unspecified	6

Accepted values by property group
Property group	Values
invariant reaction	24
phase transition	1
formation	15
crystal structure	33

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.

Assessments with a calculated phase diagram
TDB file	Assessment	SHA-256	Links
BiCs-15Dja.tdb	Y. Djaballah, A. Said Amer, S. Ugur, G. Ugur, A. Hidoussi, A. Belgacem-Bouzida, Calphad, 48, 72-78(2015). doi:10.1016/j.calphad.2014.11.002	`f0497ab1e5628a6068329844ee642503b92cdb730ce9bcf24818f1f5875cb8b3`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
BiCs-15Dja.tdb	754.95	BI2CS3 (x(Cs) 0.6) + LIQUID (x(Cs) 0.61627) + BICS3_D03 (x(Cs) 0.75)
BiCs-15Dja.tdb	679.55	LIQUID (x(Cs) 0.52324) + BI4CS5 (x(Cs) 0.55556) + BI2CS3 (x(Cs) 0.6)
BiCs-15Dja.tdb	667.56	BI2CS_C15 (x(Cs) 0.33333) + LIQUID (x(Cs) 0.50824) + BI4CS5 (x(Cs) 0.55556)
BiCs-15Dja.tdb	541.95	RHOMBOHEDRAL_A7 (x(Cs) 0) + LIQUID (x(Cs) 0.01417) + BI2CS_C15 (x(Cs) 0.33333)
BiCs-15Dja.tdb	301.5	BICS3_D03 (x(Cs) 0.75) + LIQUID (x(Cs) 0.99976) + BCC_A2 (x(Cs) 1)

Convex hulls: Materials Project DFT hull · OQMD DFT hull

Invariant reactions (literature)

Invariant reactions reported in the literature for the Bi–Cs system (24)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
937.4	congruent melting: L -> BiCs3	L: Cs 0.75; BiCs3: Cs 0.75	model	[1] Djaballah 2015	Table 4, p. 5, row 22 report
933	congruent melting: L -> BiCs3	L: Cs 0.75; BiCs3: Cs 0.75	experimental	[1] Djaballah 2015 cites Zhuravlev 1958	Table 4, p. 5, row 19 report
923	congruent melting: L -> BiCs3	L: Cs 0.75; BiCs3: Cs 0.75	experimental	[1] Djaballah 2015 cites Sangster 1991 doi	Table 4, p. 5, row 21 report
908	congruent melting: L -> BiCs3	L: Cs 0.75; BiCs3: Cs 0.75	experimental	[1] Djaballah 2015 cites Gnutzmann 1961 doi	Table 4, p. 5, row 20 report
903	congruent melting: L -> Bi2Cs	L: Cs 0.333; Bi2Cs: Cs 0.333	experimental	[1] Djaballah 2015 cites Zhuravlev 1958	Table 4, p. 5, row 5 report
868	congruent melting: L -> Bi2Cs	L: Cs 0.333; Bi2Cs: Cs 0.333	experimental	[1] Djaballah 2015 cites Gnutzmann 1961 doi	Table 4, p. 5, row 6 report
868	congruent melting: L -> Bi2Cs	L: Cs 0.333; Bi2Cs: Cs 0.333	experimental	[1] Djaballah 2015 cites Sangster 1991 doi	Table 4, p. 5, row 7 report
854.9	congruent melting: L -> Bi2Cs	L: Cs 0.333; Bi2Cs: Cs 0.333	model	[1] Djaballah 2015	Table 4, p. 5, row 8 report
774	peritectic: L + BiCs3 -> Bi2Cs3	BiCs3: Cs 0.75; Bi2Cs3: Cs 0.6	experimental	[1] Djaballah 2015 cites Gnutzmann 1961 doi	Table 4, p. 5, row 15 report
773	peritectic: L + BiCs3 -> Bi2Cs3	L: Cs 0.599; BiCs3: Cs 0.75; Bi2Cs3: Cs 0.6	experimental	[1] Djaballah 2015 cites Sangster 1991 doi	Table 4, p. 5, row 16 report
763	peritectic: L + BiCs3 -> Bi2Cs3	BiCs3: Cs 0.75; Bi2Cs3: Cs 0.6	experimental	[1] Djaballah 2015 cites Zhuravlev 1958	Table 4, p. 5, row 14 report
758.1	congruent melting: L -> Bi2Cs3	L: Cs 0.6; Bi2Cs3: Cs 0.6	model	[1] Djaballah 2015	Table 4, p. 5, row 18 report
754.95	eutectic: L + BiCs3 -> Bi2Cs3	L: Cs 0.616; BiCs3: Cs 0.75; Bi2Cs3: Cs 0.6	model	[1] Djaballah 2015	Table 4, p. 5, row 17 report
691	peritectic: L + Bi2Cs3 -> Bi4Cs5	L: Cs 0.54; Bi2Cs3: Cs 0.6; Bi4Cs5: Cs 0.556	experimental	[1] Djaballah 2015 cites Gnutzmann 1961 doi	Table 4, p. 5, row 12 report
678.7	peritectic: L + Bi2Cs3 -> Bi4Cs5	L: Cs 0.523; Bi2Cs3: Cs 0.6; Bi4Cs5: Cs 0.556	model	[1] Djaballah 2015	Table 4, p. 5, row 13 report
667.13	eutectic: L -> Bi2Cs + Bi4Cs5	L: Cs 0.508; Bi2Cs: Cs 0.333; Bi4Cs5: Cs 0.556	model	[1] Djaballah 2015	Table 4, p. 5, row 11 report
663	eutectic: L -> Bi2Cs + Bi4Cs5	L: Cs 0.505; Bi2Cs: Cs 0.333; Bi4Cs5: Cs 0.556	experimental	[1] Djaballah 2015 cites Gnutzmann 1961 doi	Table 4, p. 5, row 10 report
663	eutectic: L -> Bi2Cs + Bi4Cs5	L: Cs 0.57; Bi2Cs: Cs 0.333; Bi4Cs5: Cs 0.556	experimental	[1] Djaballah 2015 cites Zhuravlev 1958	Table 4, p. 5, row 9 report
543	eutectic: L -> (Bi) + Bi2Cs	L: Cs 0.025; (Bi): Cs 0; Bi2Cs: Cs 0.333	experimental	[1] Djaballah 2015 cites Gnutzmann 1961 doi	Table 4, p. 5, row 2 report
542.6	eutectic: L -> (Bi) + Bi2Cs	L: Cs 0.013; (Bi): Cs 0; Bi2Cs: Cs 0.333	model	[1] Djaballah 2015	Table 4, p. 5, row 4 report
540	eutectic: L -> (Bi) + Bi2Cs	L: Cs 0.02; (Bi): Cs 0; Bi2Cs: Cs 0.333	experimental	[1] Djaballah 2015 cites Sangster 1991 doi	Table 4, p. 5, row 3 report
523	eutectic: L -> (Bi) + Bi2Cs	L: Cs 0.03; (Bi): Cs 0; Bi2Cs: Cs 0.333	experimental	[1] Djaballah 2015 cites Zhuravlev 1958	Table 4, p. 5, row 1 report
301.5	eutectic: L -> BiCs3 + (Cs)	L: Cs 0.999; BiCs3: Cs 0.75; (Cs): Cs 1	model	[1] Djaballah 2015	Table 4, p. 5, row 24 report
301.39	eutectic: L -> BiCs3 + (Cs)	L: Cs 1; BiCs3: Cs 0.75; (Cs): Cs 1	experimental	[1] Djaballah 2015 cites Sangster 1991 doi	Table 4, p. 5, row 23 report

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.

Enthalpies of formation, Bi–Cs system (15)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Bi2Cs		-37.753 kJ/mol-atom	0	DFT			[1] Djaballah 2015	Table 2, p. 4, row 3 report
Bi2Cs	Bi2Cs	-31.027 kJ/mol-atom		model	-29.714 (mp-aaaabigx)	-29.789 (oqmd-647553)	[1] Djaballah 2015	Table 2, p. 4, row 4 report
Bi2Cs		-30.442 kJ/mol-atom	0	DFT			[1] Djaballah 2015	Table 2, p. 4, row 2 report
Bi2Cs	Bi2Cs	-26.2 kJ/mol-atom	298.15	experimental	-29.714 (mp-aaaabigx)	-29.789 (oqmd-647553)	[1] Djaballah 2015 cites Voronin 1975	Table 2, p. 4, row 1 report
Bi2Cs3		-41.326 kJ/mol-atom	0	DFT			[1] Djaballah 2015	Table 2, p. 4, row 10 report
Bi2Cs3	Bi2Cs3	-40.7 kJ/mol-atom	298.15	experimental	-31.375 (mp-aaabgrwc)	-34.17 (oqmd-22902)	[1] Djaballah 2015 cites Voronin 1975	Table 2, p. 4, row 8 report
Bi2Cs3		-34.483 kJ/mol-atom	0	DFT			[1] Djaballah 2015	Table 2, p. 4, row 9 report
Bi2Cs3	Bi2Cs3	-33.968 kJ/mol-atom		model	-31.375 (mp-aaabgrwc)	-34.17 (oqmd-22902)	[1] Djaballah 2015	Table 2, p. 4, row 11 report
Bi4Cs5	Bi4Cs5	-38.3 kJ/mol-atom	298.15	experimental		-37.814 (oqmd-1372721)	[1] Djaballah 2015 cites Voronin 1975	Table 2, p. 4, row 5 report
Bi4Cs5		-36.683 kJ/mol-atom	0	DFT			[1] Djaballah 2015	Table 2, p. 4, row 6 report
Bi4Cs5	Bi4Cs5	-34.933 kJ/mol-atom		model		-37.814 (oqmd-1372721)	[1] Djaballah 2015	Table 2, p. 4, row 7 report
BiCs3		-44.202 kJ/mol-atom	0	DFT			[1] Djaballah 2015	Table 2, p. 4, row 14 report
BiCs3	BiCs3	-43.5 kJ/mol-atom	298.15	experimental	-27.378 (mp-aaabkdyz)	-33.261 (oqmd-1521866)	[1] Djaballah 2015 cites Voronin 1975	Table 2, p. 4, row 12 report
BiCs3	BiCs3	-32.568 kJ/mol-atom		model	-27.378 (mp-aaabkdyz)	-33.261 (oqmd-1521866)	[1] Djaballah 2015	Table 2, p. 4, row 15 report
BiCs3		-31.394 kJ/mol-atom	0	DFT			[1] Djaballah 2015	Table 2, p. 4, row 13 report

Other properties

Phase transition (1)

Phase transition, Bi–Cs system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	773 K	773	congruent transformation	model	[1] Djaballah 2015 cites Sangster 1991 doi	p. 4 report	This result confirms the suggestion of Sangster and Pelton [18] that the congruent melting near 773 K of this compound is equally probable with the peritectic decomposition.

Crystal structure (33)

Crystal structure, Bi–Cs system
Property	Value	T (K)	Phases / composition	Class	Source	Location
Lattice a	9.488 Å		Bi2Cs Bi2Cs: Cs 0.33	model	[1] Djaballah 2015	Table 1, p. 2, row 6 report
Lattice a	9.774 Å		Bi2Cs Bi2Cs: Cs 0.33	model	[1] Djaballah 2015	Table 1, p. 2, row 5 report
Lattice a	10.221 Å		Bi2Cs3 Bi2Cs3: Cs 0.6	model	[1] Djaballah 2015	Table 1, p. 2, row 10 report
Lattice a	9.631 Å		Bi2Cs3 Bi2Cs3: Cs 0.6	model	[1] Djaballah 2015	Table 1, p. 2, row 11 report
Lattice a	13.03 Å		Bi4Cs5 Bi4Cs5: Cs 0.556	model	[1] Djaballah 2015	Table 1, p. 2, row 8 report
Lattice a	9.465 Å		BiCs3 BiCs3: Cs 0.75	model	[1] Djaballah 2015	Table 1, p. 2, row 13 report
Lattice a	8.934 Å		BiCs3 BiCs3: Cs 0.75	model	[1] Djaballah 2015	Table 1, p. 2, row 14 report
Lattice a	9.72 Å	298.15	Bi2Cs Bi2Cs: Cs 0.33	model	[1] Djaballah 2015 cites Emmerling 2004 doi	Table 1, p. 2, row 4 report
Lattice a	10.077 Å	298.15	Bi2Cs3 Bi2Cs3: Cs 0.6	unspecified	[1] Djaballah 2015 cites Gascoin 2000 doi	Table 1, p. 2, row 9 report
Lattice a	12.887 Å	298.15	Bi4Cs5 Bi4Cs5: Cs 0.556	unspecified	[1] Djaballah 2015 cites Gascoin 2001 doi	Table 1, p. 2, row 7 report
Lattice a	9.31 Å	298.15	BiCs3 BiCs3: Cs 0.75	experimental	[1] Djaballah 2015 cites Gnutzmann 1961 doi	Table 1, p. 2, row 12 report
Lattice b	9.488 Å		Bi2Cs Bi2Cs: Cs 0.33	model	[1] Djaballah 2015	Table 1, p. 2, row 6 report
Lattice b	9.774 Å		Bi2Cs Bi2Cs: Cs 0.33	model	[1] Djaballah 2015	Table 1, p. 2, row 5 report
Lattice b	10.478 Å		Bi2Cs3 Bi2Cs3: Cs 0.6	model	[1] Djaballah 2015	Table 1, p. 2, row 10 report
Lattice b	10.147 Å		Bi2Cs3 Bi2Cs3: Cs 0.6	model	[1] Djaballah 2015	Table 1, p. 2, row 11 report
Lattice b	6.423 Å		Bi4Cs5 Bi4Cs5: Cs 0.556	model	[1] Djaballah 2015	Table 1, p. 2, row 8 report
Lattice b	9.465 Å		BiCs3 BiCs3: Cs 0.75	model	[1] Djaballah 2015	Table 1, p. 2, row 13 report
Lattice b	8.934 Å		BiCs3 BiCs3: Cs 0.75	model	[1] Djaballah 2015	Table 1, p. 2, row 14 report
Lattice b	9.72 Å	298.15	Bi2Cs Bi2Cs: Cs 0.33	model	[1] Djaballah 2015 cites Emmerling 2004 doi	Table 1, p. 2, row 4 report
Lattice b	10.32 Å	298.15	Bi2Cs3 Bi2Cs3: Cs 0.6	unspecified	[1] Djaballah 2015 cites Gascoin 2000 doi	Table 1, p. 2, row 9 report
Lattice b	6.323 Å	298.15	Bi4Cs5 Bi4Cs5: Cs 0.556	unspecified	[1] Djaballah 2015 cites Gascoin 2001 doi	Table 1, p. 2, row 7 report
Lattice b	9.31 Å	298.15	BiCs3 BiCs3: Cs 0.75	experimental	[1] Djaballah 2015 cites Gnutzmann 1961 doi	Table 1, p. 2, row 12 report
Lattice c	9.488 Å		Bi2Cs Bi2Cs: Cs 0.33	model	[1] Djaballah 2015	Table 1, p. 2, row 6 report
Lattice c	9.774 Å		Bi2Cs Bi2Cs: Cs 0.33	model	[1] Djaballah 2015	Table 1, p. 2, row 5 report
Lattice c	10.168 Å		Bi2Cs3 Bi2Cs3: Cs 0.6	model	[1] Djaballah 2015	Table 1, p. 2, row 10 report
Lattice c	9.762 Å		Bi2Cs3 Bi2Cs3: Cs 0.6	model	[1] Djaballah 2015	Table 1, p. 2, row 11 report
Lattice c	12.695 Å		Bi4Cs5 Bi4Cs5: Cs 0.556	model	[1] Djaballah 2015	Table 1, p. 2, row 8 report
Lattice c	9.465 Å		BiCs3 BiCs3: Cs 0.75	model	[1] Djaballah 2015	Table 1, p. 2, row 13 report
Lattice c	8.934 Å		BiCs3 BiCs3: Cs 0.75	model	[1] Djaballah 2015	Table 1, p. 2, row 14 report
Lattice c	9.72 Å	298.15	Bi2Cs Bi2Cs: Cs 0.33	model	[1] Djaballah 2015 cites Emmerling 2004 doi	Table 1, p. 2, row 4 report
Lattice c	10.145 Å	298.15	Bi2Cs3 Bi2Cs3: Cs 0.6	unspecified	[1] Djaballah 2015 cites Gascoin 2000 doi	Table 1, p. 2, row 9 report
Lattice c	12.636 Å	298.15	Bi4Cs5 Bi4Cs5: Cs 0.556	unspecified	[1] Djaballah 2015 cites Gascoin 2001 doi	Table 1, p. 2, row 7 report
Lattice c	9.31 Å	298.15	BiCs3 BiCs3: Cs 0.75	experimental	[1] Djaballah 2015 cites Gnutzmann 1961 doi	Table 1, p. 2, row 12 report

Sources

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

Y. Djaballah, A. Said Amer, Ş. Uğur, G. Uğur, A. Hidoussi, A. Belgacem-Bouzida, Thermodynamic description of the Bi–Cs and Bi–Tm system supported by first-principles calculations, Calphad 48, 72-78 (2015). doi:10.1016/j.calphad.2014.11.002

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). doi:10.5281/zenodo.23735569
R. Arróyave, J. Saal, D. Shin, ORCHID-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). doi: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). doi: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). doi: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.

@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}
}