Cs–In phases

7 phases (tier A 4, tier B 1, tier C 1, liquid 1); 5 stable in a calculated diagram. Structure types are assigned only when the stored evidence supports an assignment under the stated tier rules (tier A: standard phase name; tier B: unique Materials Project + OQMD on-hull match, DFT-supported; tier C: one structure stated by the assessment's crystallographic table, assessor-stated); other phases list candidates and are marked needs_review. Stability is from phase diagrams calculated with pycalphad from the SGTE binary collection (evidence class: model).

Data: interactive registry · full JSON · Cs–In system page · Markdown · field reference

Phases of the Cs–In system (7)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
TETRAGONAL_A6 phase:cs-in:a6-tetragonal	In · A6 · tI2 · I4/mmm (139)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–2499.37 K, x(In) 1–1	0	1
BCC_A2 phase:cs-in:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–301.59 K, x(In) 0–1e-05	0	1
CS2IN3 phase:cs-in:cs2in3	Cs2In3 · tI20 · I-4m2 (119)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–837.17 K, x(In) 0.6–0.6	6	1
CSIN3 phase:cs-in:csin3	Ga3Rb · tI24 · I-4m2 (119)	tier B: DFT-supported (unique MP + OQMD match)	stable in 1 of 1 calculated diagram(s): 300–757.07 K, x(In) 0.75–0.75	6	1
FCC_A1 phase:cs-in:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
HCP_A3 phase:cs-in:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 1 calculated diagram(s)	0	1
LIQUID phase:cs-in:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 301.59–2500 K, x(In) 0–1	0	1

TETRAGONAL_A6 (Cs–In)

Id: phase:cs-in:a6-tetragonal; status assigned
Structure: In · A6 · tI2 · I4/mmm (139); type st:a6-in-ti2; tier A: standard phase name; confidence high
Stoichiometry: In 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 300–2499.37 K, x(In) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:cs-in:a6-tetragonal
tdb: tdb:CsIn-10Lee.tdb:TETRAGONAL_A6

TDB models of TETRAGONAL_A6 (1): PHASE and CONSTITUENT statements as written

CsIn-10Lee.tdb: TETRAGONAL_A6, type code %, sha256 b36e9eae5cebe1d2…

40: PHASE TETRAGONAL_A6 % 1 1 !
41: CONST TETRAGONAL_A6 : IN : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2010.01.005 Sung Hoon Lee, Zi-Kui Liu, First-principles calculations and thermodynamic modeling of Cs–In system, Calphad 34, 134-137 (2010).
assessment that models this phase

BCC_A2 (Cs–In)

Id: phase:cs-in:bcc-a2; status assigned
Structure: W · A2 · cI2 · Im-3m (229); type st:a2-w-ci2; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 300–301.59 K, x(In) 0–1e-05
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:cs-in:bcc-a2
tdb: tdb:CsIn-10Lee.tdb:BCC_A2

TDB models of BCC_A2 (1): PHASE and CONSTITUENT statements as written

CsIn-10Lee.tdb: BCC_A2, type code %B, sha256 b36e9eae5cebe1d2…

30: PHASE BCC_A2 %B 2 1 3 !
31: CONST BCC_A2 : CS IN : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2010.01.005 Sung Hoon Lee, Zi-Kui Liu, First-principles calculations and thermodynamic modeling of Cs–In system, Calphad 34, 134-137 (2010).
assessment that models this phase

CS2IN3 (Cs–In)

Id: phase:cs-in:cs2in3; status assigned
Structure: Cs2In3 · tI20 · I-4m2 (119); type st:cs2in3-ti20; tier C: assessor-stated (Hallstedt 2025 crystallographic table); confidence assessor-stated
Structure source: B. Hallstedt, The SGTE collection of binary datasets, Calphad 89 (2025) 102833, supplementary crystallographic table (mmc2) doi:10.1016/j.calphad.2025.102833
Caveat: not certain from the name or DFT alone (no_on_hull_entry_in_oqmd, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Cs 0.4000, In 0.6000
Stability: stable in 1 of 1 calculated diagram(s): 300–837.17 K, x(In) 0.6–0.6
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:cs-in:cs2in3
paper: paper:10.1016/j.calphad.2010.01.005:Cs2In3
tdb: tdb:CsIn-10Lee.tdb:CS2IN3

TDB models of CS2IN3 (1): PHASE and CONSTITUENT statements as written

CsIn-10Lee.tdb: CS2IN3, type code %, sha256 b36e9eae5cebe1d2…

45: PHASE CS2IN3 % 2 2 3 !
46: CONST CS2IN3 : CS : IN : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2010.01.005 Sung Hoon Lee, Zi-Kui Liu, First-principles calculations and thermodynamic modeling of Cs–In system, Calphad 34, 134-137 (2010).
assessment that models this phase; reports values for this phase
doi:10.1016/0022-5088(85)90228-0 S.P. Yatsenko, K.A. Tschuntonow, A.N. Orlow, Ya.P. Yarmolyuk, Yu.N. Hryn, Kristallstruktur von Cs2In3, Journal of the Less Common Metals 108, 339-343 (1985).
cited as the source of values for this phase

CSIN3 (Cs–In)

Id: phase:cs-in:csin3; status assigned
Structure: Ga3Rb · tI24 · I-4m2 (119); type st:ga3rb-ti24; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: Cs 0.2500, In 0.7500
Stability: stable in 1 of 1 calculated diagram(s): 300–757.07 K, x(In) 0.75–0.75
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:cs-in:csin3
mp: mp:mp-aaabewhf
oqmd: oqmd:oqmd-17138
paper: paper:10.1016/j.calphad.2010.01.005:CsIn3
tdb: tdb:CsIn-10Lee.tdb:CSIN3

TDB models of CSIN3 (1): PHASE and CONSTITUENT statements as written

CsIn-10Lee.tdb: CSIN3, type code %, sha256 b36e9eae5cebe1d2…

50: PHASE CSIN3 % 2 1 3 !
51: CONST CSIN3 : CS : IN : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2010.01.005 Sung Hoon Lee, Zi-Kui Liu, First-principles calculations and thermodynamic modeling of Cs–In system, Calphad 34, 134-137 (2010).
assessment that models this phase; reports values for this phase
doi:10.1016/0022-5088(84)90331-x K.A. Tschuntonow, S.P. Yatsenko, Yu.N. Hryn, Ya.P. Yarmolyuk, A.N. Orlow, Die Kristallstruktur von CsIn3, Journal of the Less Common Metals 99, 15-21 (1984).
cited as the source of values for this phase

FCC_A1 (Cs–In)

Id: phase:cs-in:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; tier A: standard phase name; confidence high
Stability: not stable in 1 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:cs-in:fcc-a1
tdb: tdb:CsIn-10Lee.tdb:FCC_A1

TDB models of FCC_A1 (1): PHASE and CONSTITUENT statements as written

CsIn-10Lee.tdb: FCC_A1, type code %A, sha256 b36e9eae5cebe1d2…

25: PHASE FCC_A1 %A 2 1 1 !
26: CONST FCC_A1 : CS IN : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2010.01.005 Sung Hoon Lee, Zi-Kui Liu, First-principles calculations and thermodynamic modeling of Cs–In system, Calphad 34, 134-137 (2010).
assessment that models this phase

HCP_A3 (Cs–In)

Id: phase:cs-in:hcp-a3; status assigned
Structure: Mg · A3 · hP2 · P6_3/mmc (194); type st:a3-mg-hp2; tier A: standard phase name; confidence high
Stability: not stable in 1 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:cs-in:hcp-a3
tdb: tdb:CsIn-10Lee.tdb:HCP_A3

TDB models of HCP_A3 (1): PHASE and CONSTITUENT statements as written

CsIn-10Lee.tdb: HCP_A3, type code %, sha256 b36e9eae5cebe1d2…

35: PHASE HCP_A3 % 2 1 0.5 !
36: CONST HCP_A3 : CS IN : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2010.01.005 Sung Hoon Lee, Zi-Kui Liu, First-principles calculations and thermodynamic modeling of Cs–In system, Calphad 34, 134-137 (2010).
assessment that models this phase

LIQUID (Cs–In)

Id: phase:cs-in:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 301.59–2500 K, x(In) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:cs-in:liquid
tdb: tdb:CsIn-10Lee.tdb:LIQUID

TDB models of LIQUID (1): PHASE and CONSTITUENT statements as written

CsIn-10Lee.tdb: LIQUID, type code %, sha256 b36e9eae5cebe1d2…

20: PHASE LIQUID:L % 1 1 !
21: CONST LIQUID:L : CS IN : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2010.01.005 Sung Hoon Lee, Zi-Kui Liu, First-principles calculations and thermodynamic modeling of Cs–In system, Calphad 34, 134-137 (2010).
assessment that models this phase

Please cite

R. Arróyave, J. Saal, D. Shin, ORCHID-Registry: phase registry of binary systems (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735970
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 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); the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work). 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_phase_registry_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Registry: phase registry of binary systems}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735970},
  url       = {https://doi.org/10.5281/zenodo.23735970},
  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}
}