Au–Sc phases

10 phases (tier A 8, tier C 1, liquid 1); 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 · Au–Sc system page · Markdown · field reference

Phases of the Au–Sc system (10)
Phase	Structure	Basis	Stability (calculated)	TDB models
AU2SC_C11B phase:au-sc:au2sc-c11b	MoSi2 · C11_b · tI6 · I4/mmm (139)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1885.59 K, x(Sc) 0.33333–0.33333	1
AU2SC7 phase:au-sc:au2sc7	Au2Sc7 · oI142 · Immm (71)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–1406.89 K, x(Sc) 0.77778–0.77778	1
AU3SC_D0A phase:au-sc:au3sc-d0a	beta-Cu3Ti · D0_a · oP8 · Pmmn (59)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1580.33 K, x(Sc) 0.25–0.25	1
AU4SC_D1A phase:au-sc:au4sc-d1a	MoNi4 · D1_a · tI10 · I4/m (87)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1498.03 K, x(Sc) 0.2–0.2	1
AUSC_B2 phase:au-sc:ausc-b2	CsCl · B2 · cP2 · Pm-3m (221)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1973.08 K, x(Sc) 0.5–0.5	1
AUSC2_C37 phase:au-sc:ausc2-c37	Co2Si · C37 · oP12 · Pnma (62)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1546.78 K, x(Sc) 0.66667–0.66667	1
BCC_A2 phase:au-sc:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1607.99–2499.82 K, x(Sc) 1–1	1
FCC_A1 phase:au-sc:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1338.65 K, x(Sc) 0–0.09369	1
HCP_A3 phase:au-sc:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1607.99 K, x(Sc) 1–1	1
LIQUID phase:au-sc:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 1305.94–2500 K, x(Sc) 0–1	1

AU2SC_C11B (Au–Sc)

Id: phase:au-sc:au2sc-c11b; status assigned
Structure: MoSi2 · C11_b · tI6 · I4/mmm (139); type st:c11-b-mosi2-ti6; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaacfydo and oqmd-28211, space group 139
Stoichiometry: Au 0.6667, Sc 0.3333
Stability: stable in 1 of 1 calculated diagram(s): 300–1885.59 K, x(Sc) 0.33333–0.33333
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:au-sc:au2sc-c11b
mp: mp:mp-aaacfydo
oqmd: oqmd:oqmd-28211
tdb: tdb:AuSc-16Xu.tdb:AU2SC_C11B

TDB models of AU2SC_C11B (1): PHASE and CONSTITUENT statements as written

AuSc-16Xu.tdb: AU2SC_C11B, type code %, sha256 f1e86fcfc0683af1…

50: PHASE AU2SC_C11B % 2 2 1 !
51: CONST AU2SC_C11B : AU : SC : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2016.07.002 K. Xu, S. Liu, F. Zhang, Y. Du, Z. Jin, Calphad, 54, 158-64(2016).
assessment that models this phase

AU2SC7 (Au–Sc)

Id: phase:au-sc:au2sc7; status assigned
Structure: Au2Sc7 · oI142 · Immm (71); type st:au2sc7-oi142; 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: Au 0.2222, Sc 0.7778
Stability: stable in 1 of 1 calculated diagram(s): 300–1406.89 K, x(Sc) 0.77778–0.77778
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-sc:au2sc7
tdb: tdb:AuSc-16Xu.tdb:AU2SC7

TDB models of AU2SC7 (1): PHASE and CONSTITUENT statements as written

AuSc-16Xu.tdb: AU2SC7, type code %, sha256 f1e86fcfc0683af1…

65: PHASE AU2SC7 % 2 2 7 !
66: CONST AU2SC7 : AU : SC : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2016.07.002 K. Xu, S. Liu, F. Zhang, Y. Du, Z. Jin, Calphad, 54, 158-64(2016).
assessment that models this phase

AU3SC_D0A (Au–Sc)

Id: phase:au-sc:au3sc-d0a; status assigned
Structure: beta-Cu3Ti · D0_a · oP8 · Pmmn (59); type st:d0-a-beta-cu3ti-op8; tier A: standard phase name; confidence high
Stoichiometry: Au 0.7500, Sc 0.2500
Stability: stable in 1 of 1 calculated diagram(s): 300–1580.33 K, x(Sc) 0.25–0.25
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-sc:au3sc-d0a
tdb: tdb:AuSc-16Xu.tdb:AU3SC_D0A

TDB models of AU3SC_D0A (1): PHASE and CONSTITUENT statements as written

AuSc-16Xu.tdb: AU3SC_D0A, type code %, sha256 f1e86fcfc0683af1…

45: PHASE AU3SC_D0A % 2 3 1 !
46: CONST AU3SC_D0A : AU : SC : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2016.07.002 K. Xu, S. Liu, F. Zhang, Y. Du, Z. Jin, Calphad, 54, 158-64(2016).
assessment that models this phase

AU4SC_D1A (Au–Sc)

Id: phase:au-sc:au4sc-d1a; status assigned
Structure: MoNi4 · D1_a · tI10 · I4/m (87); type st:d1-a-moni4-ti10; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaciuoc and oqmd-28212, space group 87
Stoichiometry: Au 0.8000, Sc 0.2000
Stability: stable in 1 of 1 calculated diagram(s): 300–1498.03 K, x(Sc) 0.2–0.2
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:au-sc:au4sc-d1a
mp: mp:mp-aaaciuoc
oqmd: oqmd:oqmd-28212
tdb: tdb:AuSc-16Xu.tdb:AU4SC_D1A

TDB models of AU4SC_D1A (1): PHASE and CONSTITUENT statements as written

AuSc-16Xu.tdb: AU4SC_D1A, type code %, sha256 f1e86fcfc0683af1…

40: PHASE AU4SC_D1A % 2 4 1 !
41: CONST AU4SC_D1A : AU : SC : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2016.07.002 K. Xu, S. Liu, F. Zhang, Y. Du, Z. Jin, Calphad, 54, 158-64(2016).
assessment that models this phase

AUSC_B2 (Au–Sc)

Id: phase:au-sc:ausc-b2; status assigned
Structure: CsCl · B2 · cP2 · Pm-3m (221); type st:b2-cscl-cp2; tier A: standard phase name; confidence high
Stoichiometry: Au 0.5000, Sc 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 300–1973.08 K, x(Sc) 0.5–0.5
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-sc:ausc-b2
tdb: tdb:AuSc-16Xu.tdb:AUSC_B2

TDB models of AUSC_B2 (1): PHASE and CONSTITUENT statements as written

AuSc-16Xu.tdb: AUSC_B2, type code %, sha256 f1e86fcfc0683af1…

55: PHASE AUSC_B2 % 2 1 1 !
56: CONST AUSC_B2 : AU : SC : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2016.07.002 K. Xu, S. Liu, F. Zhang, Y. Du, Z. Jin, Calphad, 54, 158-64(2016).
assessment that models this phase

AUSC2_C37 (Au–Sc)

Id: phase:au-sc:ausc2-c37; status assigned
Structure: Co2Si · C37 · oP12 · Pnma (62); type st:c37-co2si-op12; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaacquof and oqmd-1376725, space group 62
Stoichiometry: Au 0.3333, Sc 0.6667
Stability: stable in 1 of 1 calculated diagram(s): 300–1546.78 K, x(Sc) 0.66667–0.66667
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:au-sc:ausc2-c37
mp: mp:mp-aaacquof
oqmd: oqmd:oqmd-1376725
tdb: tdb:AuSc-16Xu.tdb:AUSC2_C37

TDB models of AUSC2_C37 (1): PHASE and CONSTITUENT statements as written

AuSc-16Xu.tdb: AUSC2_C37, type code %, sha256 f1e86fcfc0683af1…

60: PHASE AUSC2_C37 % 2 1 2 !
61: CONST AUSC2_C37 : AU : SC : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2016.07.002 K. Xu, S. Liu, F. Zhang, Y. Du, Z. Jin, Calphad, 54, 158-64(2016).
assessment that models this phase

BCC_A2 (Au–Sc)

Id: phase:au-sc: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): 1607.99–2499.82 K, x(Sc) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-sc:bcc-a2
tdb: tdb:AuSc-16Xu.tdb:BCC_A2

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

AuSc-16Xu.tdb: BCC_A2, type code %B, sha256 f1e86fcfc0683af1…

30: PHASE BCC_A2 %B 2 1 3 !
31: CONST BCC_A2 : AU SC% : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2016.07.002 K. Xu, S. Liu, F. Zhang, Y. Du, Z. Jin, Calphad, 54, 158-64(2016).
assessment that models this phase

FCC_A1 (Au–Sc)

Id: phase:au-sc: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): 300–1338.65 K, x(Sc) 0–0.09369
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-sc:fcc-a1
tdb: tdb:AuSc-16Xu.tdb:FCC_A1

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

AuSc-16Xu.tdb: FCC_A1, type code %A, sha256 f1e86fcfc0683af1…

25: PHASE FCC_A1 %A 2 1 1 !
26: CONST FCC_A1 : AU% SC : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2016.07.002 K. Xu, S. Liu, F. Zhang, Y. Du, Z. Jin, Calphad, 54, 158-64(2016).
assessment that models this phase

HCP_A3 (Au–Sc)

Id: phase:au-sc: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): 300–1607.99 K, x(Sc) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-sc:hcp-a3
tdb: tdb:AuSc-16Xu.tdb:HCP_A3

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

AuSc-16Xu.tdb: HCP_A3, type code %A, sha256 f1e86fcfc0683af1…

35: PHASE HCP_A3 %A 2 1 0.5 !
36: CONST HCP_A3 : AU SC% : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2016.07.002 K. Xu, S. Liu, F. Zhang, Y. Du, Z. Jin, Calphad, 54, 158-64(2016).
assessment that models this phase

LIQUID (Au–Sc)

Id: phase:au-sc:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 1305.94–2500 K, x(Sc) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:au-sc:liquid
tdb: tdb:AuSc-16Xu.tdb:LIQUID

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

AuSc-16Xu.tdb: LIQUID, type code %, sha256 f1e86fcfc0683af1…

20: PHASE LIQUID:L % 1 1 !
21: CONST LIQUID:L : AU SC : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2016.07.002 K. Xu, S. Liu, F. Zhang, Y. Du, Z. Jin, Calphad, 54, 158-64(2016).
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}
}