Nb–Sb phases

8 phases (tier A 5, tier B 1, tier C 1, liquid 1); 6 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 · Nb–Sb system page · Markdown · field reference

Phases of the Nb–Sb system (8)
Phase	Structure	Basis	Stability (calculated)	TDB models
RHOMBOHEDRAL_A7 phase:nb-sb:a7-rhombohedral	alpha-As · A7 · hR2 · R-3m (166)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–903.78 K, x(Sb) 1–1	1
BCC_A2 phase:nb-sb:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–2751 K, x(Sb) 0–0.15689	1
FCC_A1 phase:nb-sb:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 1 calculated diagram(s)	1
HCP_A3 phase:nb-sb:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 1 calculated diagram(s)	1
LIQUID phase:nb-sb:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 902.75–4000 K, x(Sb) 0–1	1
NB3SB_A15 phase:nb-sb:nb3sb-a15	Cr3Si · A15 · cP8 · Pm-3n (223)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–2022.95 K, x(Sb) 0.22865–0.29121	1
NB5SB4 phase:nb-sb:nb5sb4	Ti5Te4 · tI18 · I4/m (87)	tier B: DFT-supported (unique MP + OQMD match)	stable in 1 of 1 calculated diagram(s): 300–1593.8 K, x(Sb) 0.44444–0.44444	1
NBSB2 phase:nb-sb:nbsb2	Ge2Os · mC12 · C2/m (12)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–1352.48 K, x(Sb) 0.66667–0.66667	1

RHOMBOHEDRAL_A7 (Nb–Sb)

Id: phase:nb-sb:a7-rhombohedral; status assigned
Structure: alpha-As · A7 · hR2 · R-3m (166); type st:a7-alpha-as-hr2; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 300–903.78 K, x(Sb) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:nb-sb:a7-rhombohedral
tdb: tdb:NbSb-22Li.tdb:RHOMBOHEDRAL_A7

TDB models of RHOMBOHEDRAL_A7 (1): PHASE and CONSTITUENT statements as written

NbSb-22Li.tdb: RHOMBOHEDRAL_A7, type code %, sha256 0d60dc62739c97df…

44: PHASE RHOMBOHEDRAL_A7 % 1 1 !
45: CONST RHOMBOHEDRAL_A7 : NB SB% : !

Example references (1 of 1; assessments first):

doi:10.1016/j.actamat.2022.117736 Xiaofang Li, Zhou Li, Sichen Duan, Dandan Qin, Qingmei Wang, Chen Chen et al., Thermodynamic approaches to determine the vacancy concentration in defective Nb1-CoSb half-Heusler thermoelectric materials, Acta Materialia 228, 117736 (2022).
assessment that models this phase

BCC_A2 (Nb–Sb)

Id: phase:nb-sb: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): 300–2751 K, x(Sb) 0–0.15689
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:nb-sb:bcc-a2
tdb: tdb:NbSb-22Li.tdb:BCC_A2

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

NbSb-22Li.tdb: BCC_A2, type code %B, sha256 0d60dc62739c97df…

34: PHASE BCC_A2 %B 2 1 3 !
35: CONST BCC_A2 : NB% SB : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.actamat.2022.117736 Xiaofang Li, Zhou Li, Sichen Duan, Dandan Qin, Qingmei Wang, Chen Chen et al., Thermodynamic approaches to determine the vacancy concentration in defective Nb1-CoSb half-Heusler thermoelectric materials, Acta Materialia 228, 117736 (2022).
assessment that models this phase

FCC_A1 (Nb–Sb)

Id: phase:nb-sb: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:nb-sb:fcc-a1
tdb: tdb:NbSb-22Li.tdb:FCC_A1

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

NbSb-22Li.tdb: FCC_A1, type code %A, sha256 0d60dc62739c97df…

29: PHASE FCC_A1 %A 2 1 1 !
30: CONST FCC_A1 : NB SB : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.actamat.2022.117736 Xiaofang Li, Zhou Li, Sichen Duan, Dandan Qin, Qingmei Wang, Chen Chen et al., Thermodynamic approaches to determine the vacancy concentration in defective Nb1-CoSb half-Heusler thermoelectric materials, Acta Materialia 228, 117736 (2022).
assessment that models this phase

HCP_A3 (Nb–Sb)

Id: phase:nb-sb: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:nb-sb:hcp-a3
tdb: tdb:NbSb-22Li.tdb:HCP_A3

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

NbSb-22Li.tdb: HCP_A3, type code %A, sha256 0d60dc62739c97df…

39: PHASE HCP_A3 %A 2 1 0.5 !
40: CONST HCP_A3 : NB SB : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.actamat.2022.117736 Xiaofang Li, Zhou Li, Sichen Duan, Dandan Qin, Qingmei Wang, Chen Chen et al., Thermodynamic approaches to determine the vacancy concentration in defective Nb1-CoSb half-Heusler thermoelectric materials, Acta Materialia 228, 117736 (2022).
assessment that models this phase

LIQUID (Nb–Sb)

Id: phase:nb-sb:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 902.75–4000 K, x(Sb) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:nb-sb:liquid
tdb: tdb:NbSb-22Li.tdb:LIQUID

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

NbSb-22Li.tdb: LIQUID, type code %, sha256 0d60dc62739c97df…

24: PHASE LIQUID:L % 1 1 !
25: CONST LIQUID:L : NB SB : !

Example references (1 of 1; assessments first):

doi:10.1016/j.actamat.2022.117736 Xiaofang Li, Zhou Li, Sichen Duan, Dandan Qin, Qingmei Wang, Chen Chen et al., Thermodynamic approaches to determine the vacancy concentration in defective Nb1-CoSb half-Heusler thermoelectric materials, Acta Materialia 228, 117736 (2022).
assessment that models this phase

NB3SB_A15 (Nb–Sb)

Id: phase:nb-sb:nb3sb-a15; status assigned
Structure: Cr3Si · A15 · cP8 · Pm-3n (223); type st:a15-cr3si-cp8; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in NbSb-22Li.tdb also describes the disordered state
Stability: stable in 1 of 1 calculated diagram(s): 300–2022.95 K, x(Sb) 0.22865–0.29121
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:nb-sb:nb3sb-a15
tdb: tdb:NbSb-22Li.tdb:NB3SB_A15

TDB models of NB3SB_A15 (1): PHASE and CONSTITUENT statements as written

NbSb-22Li.tdb: NB3SB_A15, type code %, sha256 0d60dc62739c97df…

49: PHASE NB3SB_A15 % 2 3 1 !
50: CONST NB3SB_A15 : NB% SB : NB SB% : !

Example references (1 of 1; assessments first):

doi:10.1016/j.actamat.2022.117736 Xiaofang Li, Zhou Li, Sichen Duan, Dandan Qin, Qingmei Wang, Chen Chen et al., Thermodynamic approaches to determine the vacancy concentration in defective Nb1-CoSb half-Heusler thermoelectric materials, Acta Materialia 228, 117736 (2022).
assessment that models this phase

NB5SB4 (Nb–Sb)

Id: phase:nb-sb:nb5sb4; status assigned
Structure: Ti5Te4 · tI18 · I4/m (87); type st:ti5te4-ti18; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: Nb 0.5556, Sb 0.4444
Stability: stable in 1 of 1 calculated diagram(s): 300–1593.8 K, x(Sb) 0.44444–0.44444
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:nb-sb:nb5sb4
mp: mp:mp-aaaaaako
oqmd: oqmd:oqmd-97641
tdb: tdb:NbSb-22Li.tdb:NB5SB4

TDB models of NB5SB4 (1): PHASE and CONSTITUENT statements as written

NbSb-22Li.tdb: NB5SB4, type code %, sha256 0d60dc62739c97df…

54: PHASE NB5SB4 % 2 5 4 !
55: CONST NB5SB4 : NB : SB : !

Example references (1 of 1; assessments first):

doi:10.1016/j.actamat.2022.117736 Xiaofang Li, Zhou Li, Sichen Duan, Dandan Qin, Qingmei Wang, Chen Chen et al., Thermodynamic approaches to determine the vacancy concentration in defective Nb1-CoSb half-Heusler thermoelectric materials, Acta Materialia 228, 117736 (2022).
assessment that models this phase

NBSB2 (Nb–Sb)

Id: phase:nb-sb:nbsb2; status assigned
Structure: Ge2Os · mC12 · C2/m (12); type st:ge2os-mc12; 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 (dft_space_group_12_matches_7_structure_types, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Nb 0.3333, Sb 0.6667
Stability: stable in 1 of 1 calculated diagram(s): 300–1352.48 K, x(Sb) 0.66667–0.66667
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:nb-sb:nbsb2
tdb: tdb:NbSb-22Li.tdb:NBSB2

TDB models of NBSB2 (1): PHASE and CONSTITUENT statements as written

NbSb-22Li.tdb: NBSB2, type code %, sha256 0d60dc62739c97df…

59: PHASE NBSB2 % 2 1 2 !
60: CONST NBSB2 : NB : SB : !

Example references (1 of 1; assessments first):

doi:10.1016/j.actamat.2022.117736 Xiaofang Li, Zhou Li, Sichen Duan, Dandan Qin, Qingmei Wang, Chen Chen et al., Thermodynamic approaches to determine the vacancy concentration in defective Nb1-CoSb half-Heusler thermoelectric materials, Acta Materialia 228, 117736 (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}
}