Sm–Ti phases

5 phases (tier A 4, 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 · Sm–Ti system page · Markdown · field reference

Phases of the Sm–Ti system (5)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:sm-ti:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1146.55–2499.73 K, x(Ti) 0–1	4	1
FCC_A1 phase:sm-ti:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1150–1150 K, x(Ti) 0.24–0.92	0	1
HCP_A3 phase:sm-ti:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1931.55 K, x(Ti) 0–1	3	1
LIQUID phase:sm-ti:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 1309.39–2500 K, x(Ti) 0–1	2	1
RHOMB_C19 phase:sm-ti:rhomb-c19	CdCl2 · C19 · hR3 · R-3m (166)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1150 K, x(Ti) 0–0.9	1	1

BCC_A2 (Sm–Ti)

Id: phase:sm-ti: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): 1146.55–2499.73 K, x(Ti) 0–1
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:sm-ti:bcc-a2
paper: paper:10.1016/j.calphad.2021.102357:bcc, paper:10.1016/j.calphad.2021.102357:bcc#2
tdb: tdb:SmTi-21Sae.tdb:BCC_A2

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

SmTi-21Sae.tdb: BCC_A2, type code %B, sha256 d33873229a2fab02…

32: PHASE BCC_A2 %B 2 1 3 !
33: CONST BCC_A2 : SM TI% : VA% : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102357 Arkapol Saengdeejing, Ying Chen, Osamu Takeda, Masanori Enoki, Satoshi Sugimoto, Hiroshi Ohtani et al., Sm–Ti binary thermodynamic database and phase diagram, Calphad 75, 102357 (2021).
assessment that models this phase; reports values for this phase

FCC_A1 (Sm–Ti)

Id: phase:sm-ti:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 1150–1150 K, x(Ti) 0.24–0.92
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:sm-ti:fcc-a1
tdb: tdb:SmTi-21Sae.tdb:FCC_A1

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

SmTi-21Sae.tdb: FCC_A1, type code %A, sha256 d33873229a2fab02…

27: PHASE FCC_A1 %A 2 1 1 !
28: CONST FCC_A1 : SM TI : VA% : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102357 Arkapol Saengdeejing, Ying Chen, Osamu Takeda, Masanori Enoki, Satoshi Sugimoto, Hiroshi Ohtani et al., Sm–Ti binary thermodynamic database and phase diagram, Calphad 75, 102357 (2021).
assessment that models this phase

HCP_A3 (Sm–Ti)

Id: phase:sm-ti: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: stable in 1 of 1 calculated diagram(s): 300–1931.55 K, x(Ti) 0–1
Literature: 3 values (3 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:sm-ti:hcp-a3
paper: paper:10.1016/j.calphad.2021.102357:hcp, paper:10.1016/j.calphad.2021.102357:hcp#2
tdb: tdb:SmTi-21Sae.tdb:HCP_A3

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

SmTi-21Sae.tdb: HCP_A3, type code %A, sha256 d33873229a2fab02…

37: PHASE HCP_A3 %A 2 1 0.5 !
38: CONST HCP_A3 : SM TI% : VA% : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102357 Arkapol Saengdeejing, Ying Chen, Osamu Takeda, Masanori Enoki, Satoshi Sugimoto, Hiroshi Ohtani et al., Sm–Ti binary thermodynamic database and phase diagram, Calphad 75, 102357 (2021).
assessment that models this phase; reports values for this phase

LIQUID (Sm–Ti)

Id: phase:sm-ti:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 1309.39–2500 K, x(Ti) 0–1
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:sm-ti:liquid
paper: paper:10.1016/j.calphad.2021.102357:Liquid
tdb: tdb:SmTi-21Sae.tdb:LIQUID

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

SmTi-21Sae.tdb: LIQUID, type code %, sha256 d33873229a2fab02…

22: PHASE LIQUID:L % 1 1 !
23: CONST LIQUID:L : SM TI : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102357 Arkapol Saengdeejing, Ying Chen, Osamu Takeda, Masanori Enoki, Satoshi Sugimoto, Hiroshi Ohtani et al., Sm–Ti binary thermodynamic database and phase diagram, Calphad 75, 102357 (2021).
assessment that models this phase; reports values for this phase

RHOMB_C19 (Sm–Ti)

Id: phase:sm-ti:rhomb-c19; status assigned
Structure: CdCl2 · C19 · hR3 · R-3m (166); type st:c19-cdcl2-hr3; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 300–1150 K, x(Ti) 0–0.9
Literature: 1 values (1 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:sm-ti:rhomb-c19
paper: paper:10.1016/j.calphad.2021.102357:Rhombohedral
tdb: tdb:SmTi-21Sae.tdb:RHOMB_C19

TDB models of RHOMB_C19 (1): PHASE and CONSTITUENT statements as written

SmTi-21Sae.tdb: RHOMB_C19, type code %, sha256 d33873229a2fab02…

42: PHASE RHOMB_C19 % 1 1 !
43: CONST RHOMB_C19 : SM% TI : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102357 Arkapol Saengdeejing, Ying Chen, Osamu Takeda, Masanori Enoki, Satoshi Sugimoto, Hiroshi Ohtani et al., Sm–Ti binary thermodynamic database and phase diagram, Calphad 75, 102357 (2021).
assessment that models this phase; reports values for 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}
}