B–Sm phases

10 phases (tier A 5, tier B 1, tier C 1, liquid 1, needs_review 2); 10 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 · Markdown · field reference

Phases of the B–Sm system (10)
Phase	Structure	Basis	Stability (calculated)	TDB models
ALPHA_RHOMBO_B phase:b-sm:b-alpha-rhombo		needs_review	stable in 1 of 1 calculated diagram(s): 300–1388 K, x(B) 1–1	1
BETA_RHOMBO_B phase:b-sm:b-beta-rhombo		needs_review	stable in 1 of 1 calculated diagram(s): 1388–2350 K, x(B) 1–1	1
BCC_A2 phase:b-sm:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1195–3900 K, x(B) 0–0	1
HCP_A3 phase:b-sm:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1006.99–1195 K, x(B) 0–0	1
LIQUID phase:b-sm:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 1283.12–4000 K, x(B) 0–1	1
RHOMB_C19 phase:b-sm:rhomb-c19	CdCl2 · C19 · hR3 · R-3m (166)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1006.99 K, x(B) 0–0	1
SM2B5 phase:b-sm:sm2b5	Gd2B5 · mP28 · P2_1/c (14)	tier B: DFT-supported (unique MP + OQMD match)	stable in 1 of 1 calculated diagram(s): 300–1623.35 K, x(B) 0.71429–0.71429	1
SMB4_D1E phase:b-sm:smb4-d1e	UB4 · D1_e · tP20 · P4/mbm (127)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–2673.31 K, x(B) 0.8–0.8	1
SMB6_D21 phase:b-sm:smb6-d21	CaB6 · D2_1 · cP7 · Pm-3m (221)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–2852.33 K, x(B) 0.85714–0.85714	1
SMB66 phase:b-sm:smb66	YB66 · cF1936 · Fm-3c (226)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–2422.7 K, x(B) 0.98507–0.98507	1

ALPHA_RHOMBO_B (B–Sm)

Id: phase:b-sm:b-alpha-rhombo; status needs_review
No structure assigned. Why: name_has_descriptive_tokens:RHOMBO; no_structure_token
Candidate (sgte_mmc2): alpha-B · hR12 · R-3m (166) — Hallstedt 2025 mmc2 row for ALPHA_RHOMBO_B: Si_nB
Candidate (tdb_comment): alpha-B · hR12 · R-3m — SmB-22Wei.tdb: 'Prototype alpha-B (hR12, R-3m)'
Stoichiometry: B 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 300–1388 K, x(B) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:b-sm:b-alpha-rhombo
tdb: tdb:SmB-22Wei.tdb:ALPHA_RHOMBO_B

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

SmB-22Wei.tdb: ALPHA_RHOMBO_B, type code %, sha256 472db60b76bf957f…

40: PHASE ALPHA_RHOMBO_B % 1 1 !
41: CONST ALPHA_RHOMBO_B : B : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8340 Q. Wei, M.H. Rong, S. Li, D. Su, Q.R. Yao, J. Wang, Q. Chen, G.H. Rao, H.Y. Zhou, Int. J. Mater. Res., 113, 400-418(2022).
assessment that models this phase

BETA_RHOMBO_B (B–Sm)

Id: phase:b-sm:b-beta-rhombo; status needs_review
No structure assigned. Why: name_has_descriptive_tokens:RHOMBO; no_structure_token
Candidate (sgte_mmc2): beta-B · hR105 · R-3m (166) — Hallstedt 2025 mmc2 row for BETA_RHOMBO_B: beta-B
Candidate (tdb_comment): beta-B · hR105 · R-3m — SmB-22Wei.tdb: 'Prototype beta-B (hR105, R-3m)'
Stoichiometry: B 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 1388–2350 K, x(B) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:b-sm:b-beta-rhombo
tdb: tdb:SmB-22Wei.tdb:BETA_RHOMBO_B

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

SmB-22Wei.tdb: BETA_RHOMBO_B, type code %, sha256 472db60b76bf957f…

45: PHASE BETA_RHOMBO_B % 1 1 !
46: CONST BETA_RHOMBO_B : B : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8340 Q. Wei, M.H. Rong, S. Li, D. Su, Q.R. Yao, J. Wang, Q. Chen, G.H. Rao, H.Y. Zhou, Int. J. Mater. Res., 113, 400-418(2022).
assessment that models this phase

BCC_A2 (B–Sm)

Id: phase:b-sm:bcc-a2; status assigned
Structure: W · A2 · cI2 · Im-3m (229); type st:a2-w-ci2; tier A: standard phase name; confidence high
Stoichiometry: Sm 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 1195–3900 K, x(B) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:b-sm:bcc-a2
tdb: tdb:SmB-22Wei.tdb:BCC_A2

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

SmB-22Wei.tdb: BCC_A2, type code %B, sha256 472db60b76bf957f…

25: PHASE BCC_A2 %B 2 1 3 !
26: CONST BCC_A2 : SM : VA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8340 Q. Wei, M.H. Rong, S. Li, D. Su, Q.R. Yao, J. Wang, Q. Chen, G.H. Rao, H.Y. Zhou, Int. J. Mater. Res., 113, 400-418(2022).
assessment that models this phase

HCP_A3 (B–Sm)

Id: phase:b-sm:hcp-a3; status assigned
Structure: Mg · A3 · hP2 · P6_3/mmc (194); type st:a3-mg-hp2; tier A: standard phase name; confidence high
Stoichiometry: Sm 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 1006.99–1195 K, x(B) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:b-sm:hcp-a3
tdb: tdb:SmB-22Wei.tdb:HCP_A3

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

SmB-22Wei.tdb: HCP_A3, type code %, sha256 472db60b76bf957f…

30: PHASE HCP_A3 % 2 1 0.5 !
31: CONST HCP_A3 : SM : VA : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8340 Q. Wei, M.H. Rong, S. Li, D. Su, Q.R. Yao, J. Wang, Q. Chen, G.H. Rao, H.Y. Zhou, Int. J. Mater. Res., 113, 400-418(2022).
assessment that models this phase

LIQUID (B–Sm)

Id: phase:b-sm:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 1283.12–4000 K, x(B) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:b-sm:liquid
tdb: tdb:SmB-22Wei.tdb:LIQUID

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

SmB-22Wei.tdb: LIQUID, type code %, sha256 472db60b76bf957f…

20: PHASE LIQUID:L % 1 1 !
21: CONST LIQUID:L : B SM : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8340 Q. Wei, M.H. Rong, S. Li, D. Su, Q.R. Yao, J. Wang, Q. Chen, G.H. Rao, H.Y. Zhou, Int. J. Mater. Res., 113, 400-418(2022).
assessment that models this phase

RHOMB_C19 (B–Sm)

Id: phase:b-sm:rhomb-c19; status assigned
Structure: CdCl2 · C19 · hR3 · R-3m (166); type st:c19-cdcl2-hr3; tier A: standard phase name; confidence high
Stoichiometry: Sm 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 300–1006.99 K, x(B) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:b-sm:rhomb-c19
tdb: tdb:SmB-22Wei.tdb:RHOMB_C19

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

SmB-22Wei.tdb: RHOMB_C19, type code %, sha256 472db60b76bf957f…

35: PHASE RHOMB_C19 % 1 1 !
36: CONST RHOMB_C19 : SM : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8340 Q. Wei, M.H. Rong, S. Li, D. Su, Q.R. Yao, J. Wang, Q. Chen, G.H. Rao, H.Y. Zhou, Int. J. Mater. Res., 113, 400-418(2022).
assessment that models this phase

SM2B5 (B–Sm)

Id: phase:b-sm:sm2b5; status assigned
Structure: Gd2B5 · mP28 · P2_1/c (14); type st:gd2b5-mp28; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: B 0.7143, Sm 0.2857
Stability: stable in 1 of 1 calculated diagram(s): 300–1623.35 K, x(B) 0.71429–0.71429
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:b-sm:sm2b5
mp: mp:mp-aaabglvh
oqmd: oqmd:oqmd-28614
tdb: tdb:SmB-22Wei.tdb:SM2B5

TDB models of SM2B5 (1): PHASE and CONSTITUENT statements as written

SmB-22Wei.tdb: SM2B5, type code %, sha256 472db60b76bf957f…

50: PHASE SM2B5 % 2 2 5 !
51: CONST SM2B5 : SM : B : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8340 Q. Wei, M.H. Rong, S. Li, D. Su, Q.R. Yao, J. Wang, Q. Chen, G.H. Rao, H.Y. Zhou, Int. J. Mater. Res., 113, 400-418(2022).
assessment that models this phase

SMB4_D1E (B–Sm)

Id: phase:b-sm:smb4-d1e; status assigned
Structure: UB4 · D1_e · tP20 · P4/mbm (127); type st:d1-e-ub4-tp20; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaamqs and oqmd-11861, space group 127
Stoichiometry: B 0.8000, Sm 0.2000
Stability: stable in 1 of 1 calculated diagram(s): 300–2673.31 K, x(B) 0.8–0.8
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:b-sm:smb4-d1e
mp: mp:mp-aaaaamqs
oqmd: oqmd:oqmd-11861
tdb: tdb:SmB-22Wei.tdb:SMB4_D1E

TDB models of SMB4_D1E (1): PHASE and CONSTITUENT statements as written

SmB-22Wei.tdb: SMB4_D1E, type code %, sha256 472db60b76bf957f…

55: PHASE SMB4_D1E % 2 1 4 !
56: CONST SMB4_D1E : SM : B : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8340 Q. Wei, M.H. Rong, S. Li, D. Su, Q.R. Yao, J. Wang, Q. Chen, G.H. Rao, H.Y. Zhou, Int. J. Mater. Res., 113, 400-418(2022).
assessment that models this phase

SMB6_D21 (B–Sm)

Id: phase:b-sm:smb6-d21; status assigned
Structure: CaB6 · D2_1 · cP7 · Pm-3m (221); type st:d2-1-cab6-cp7; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaakjc and oqmd-656659, space group 221
Stoichiometry: B 0.8571, Sm 0.1429
Stability: stable in 1 of 1 calculated diagram(s): 300–2852.33 K, x(B) 0.85714–0.85714
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:b-sm:smb6-d21
mp: mp:mp-aaaaakjc
oqmd: oqmd:oqmd-656659
tdb: tdb:SmB-22Wei.tdb:SMB6_D21

TDB models of SMB6_D21 (1): PHASE and CONSTITUENT statements as written

SmB-22Wei.tdb: SMB6_D21, type code %, sha256 472db60b76bf957f…

60: PHASE SMB6_D21 % 2 1 6 !
61: CONST SMB6_D21 : SM : B : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8340 Q. Wei, M.H. Rong, S. Li, D. Su, Q.R. Yao, J. Wang, Q. Chen, G.H. Rao, H.Y. Zhou, Int. J. Mater. Res., 113, 400-418(2022).
assessment that models this phase

SMB66 (B–Sm)

Id: phase:b-sm:smb66; status assigned
Structure: YB66 · cF1936 · Fm-3c (226); type st:yb66-cf1936; 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_both, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: B 0.9851, Sm 0.0149
Stability: stable in 1 of 1 calculated diagram(s): 300–2422.7 K, x(B) 0.98507–0.98507
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:b-sm:smb66
tdb: tdb:SmB-22Wei.tdb:SMB66

TDB models of SMB66 (1): PHASE and CONSTITUENT statements as written

SmB-22Wei.tdb: SMB66, type code %, sha256 472db60b76bf957f…

65: PHASE SMB66 % 2 1 66 !
66: CONST SMB66 : SM : B : !

Example references (1 of 1; assessments first):

doi:10.1515/ijmr-2021-8340 Q. Wei, M.H. Rong, S. Li, D. Su, Q.R. Yao, J. Wang, Q. Chen, G.H. Rao, H.Y. Zhou, Int. J. Mater. Res., 113, 400-418(2022).
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}
}