Pd–Sc phases

9 phases (tier A 5, tier C 1, liquid 1, needs_review 2); 9 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 · Pd–Sc system page · Markdown · field reference

Phases of the Pd–Sc system (9)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:pd-sc:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300.5–2499.25 K, x(Sc) 1–1	0	1
FCC_A1 phase:pd-sc:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1829.3 K, x(Sc) 0–0.14915	0	1
HCP_A3 phase:pd-sc:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1608 K, x(Sc) 1–1	0	1
LIQUID phase:pd-sc:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 1273.15–2500 K, x(Sc) 0–1	0	1
PD2SC phase:pd-sc:pd2sc		needs_review	stable in 1 of 1 calculated diagram(s): 300–1702.45 K, x(Sc) 0.33333–0.33333	3	1
PD3SC_L12 phase:pd-sc:pd3sc-l12	AuCu3 · L1_2 · cP4 · Pm-3m (221)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1772.45 K, x(Sc) 0.25–0.25	0	1
PDSC_B2 phase:pd-sc:pdsc-b2	CsCl · B2 · cP2 · Pm-3m (221)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1872.38 K, x(Sc) 0.5–0.50869	0	1
PDSC2 phase:pd-sc:pdsc2	NiTi2 · cF96 · Fd-3m (227)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–1472.82 K, x(Sc) 0.66667–0.66667	0	1
PDSC4 phase:pd-sc:pdsc4		needs_review	stable in 1 of 1 calculated diagram(s): 300–1312.84 K, x(Sc) 0.8–0.8	0	1

BCC_A2 (Pd–Sc)

Id: phase:pd-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): 300.5–2499.25 K, x(Sc) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:pd-sc:bcc-a2
tdb: tdb:PdSc-02Du.tdb:BCC_A2

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

PdSc-02Du.tdb: BCC_A2, type code %B, sha256 63a13cc650067f3a…

34: PHASE BCC_A2 %B 2 1 3 !
35: CONST BCC_A2 : PD SC% : VA : !

Example references (1 of 1; assessments first):

doi:10.3139/146.020277 Z. Du, C. Li, L. Lu, Z. Metallkd., 93, 277-80(2002).
assessment that models this phase

FCC_A1 (Pd–Sc)

Id: phase:pd-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): 300–1829.3 K, x(Sc) 0–0.14915
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:pd-sc:fcc-a1
tdb: tdb:PdSc-02Du.tdb:FCC_A1

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

PdSc-02Du.tdb: FCC_A1, type code %A, sha256 63a13cc650067f3a…

29: PHASE FCC_A1 %A 2 1 1 !
30: CONST FCC_A1 : PD% SC : VA : !

Example references (1 of 1; assessments first):

doi:10.3139/146.020277 Z. Du, C. Li, L. Lu, Z. Metallkd., 93, 277-80(2002).
assessment that models this phase

HCP_A3 (Pd–Sc)

Id: phase:pd-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): 300–1608 K, x(Sc) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:pd-sc:hcp-a3
tdb: tdb:PdSc-02Du.tdb:HCP_A3

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

PdSc-02Du.tdb: HCP_A3, type code %A, sha256 63a13cc650067f3a…

39: PHASE HCP_A3 %A 2 1 0.5 !
40: CONST HCP_A3 : PD SC% : VA : !

Example references (1 of 1; assessments first):

doi:10.3139/146.020277 Z. Du, C. Li, L. Lu, Z. Metallkd., 93, 277-80(2002).
assessment that models this phase

LIQUID (Pd–Sc)

Id: phase:pd-sc:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 1273.15–2500 K, x(Sc) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:pd-sc:liquid
tdb: tdb:PdSc-02Du.tdb:LIQUID

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

PdSc-02Du.tdb: LIQUID, type code %, sha256 63a13cc650067f3a…

24: PHASE LIQUID:L % 1 1 !
25: CONST LIQUID:L : PD SC : !

Example references (1 of 1; assessments first):

doi:10.3139/146.020277 Z. Du, C. Li, L. Lu, Z. Metallkd., 93, 277-80(2002).
assessment that models this phase

PD2SC (Pd–Sc)

Id: phase:pd-sc:pd2sc; status needs_review
No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_row_incomplete
Candidate (sgte_mmc2): (Pd2Sc) — Hallstedt 2025 mmc2 row for PD2SC: Pd2Sc
Stoichiometry: Pd 0.6667, Sc 0.3333
Stability: stable in 1 of 1 calculated diagram(s): 300–1702.45 K, x(Sc) 0.33333–0.33333
Literature: 3 values (3 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:pd-sc:pd2sc
paper: paper:10.1016/j.matpr.2019.08.196:Pd2Sc
tdb: tdb:PdSc-02Du.tdb:PD2SC

TDB models of PD2SC (1): PHASE and CONSTITUENT statements as written

PdSc-02Du.tdb: PD2SC, type code %, sha256 63a13cc650067f3a…

49: PHASE PD2SC % 2 2 1 !
50: CONST PD2SC : PD : SC : !

Example references (2 of 2; assessments first):

doi:10.3139/146.020277 Z. Du, C. Li, L. Lu, Z. Metallkd., 93, 277-80(2002).
assessment that models this phase
doi:10.1016/j.matpr.2019.08.196 Said Kardellass, Colette Servant, Isabelle Drouelle, Fatima Zahra Chrifi-Alaoui, Mohamed Idbenali, Alyen Abahazem et al., Calphad-type assessment of the Pd-Yb binary system supported by first-principles calculations – Part II: Results, Materials Today: Proceedings 24, 140-150 (2020).
reports values for this phase

PD3SC_L12 (Pd–Sc)

Id: phase:pd-sc:pd3sc-l12; status assigned
Structure: AuCu3 · L1_2 · cP4 · Pm-3m (221); type st:l1-2-aucu3-cp4; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaadyz and oqmd-17945, space group 221
Stoichiometry: Pd 0.7500, Sc 0.2500
Stability: stable in 1 of 1 calculated diagram(s): 300–1772.45 K, x(Sc) 0.25–0.25
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:pd-sc:pd3sc-l12
mp: mp:mp-aaaaadyz
oqmd: oqmd:oqmd-17945
tdb: tdb:PdSc-02Du.tdb:PD3SC_L12

TDB models of PD3SC_L12 (1): PHASE and CONSTITUENT statements as written

PdSc-02Du.tdb: PD3SC_L12, type code %, sha256 63a13cc650067f3a…

44: PHASE PD3SC_L12 % 2 3 1 !
45: CONST PD3SC_L12 : PD : SC : !

Example references (1 of 1; assessments first):

doi:10.3139/146.020277 Z. Du, C. Li, L. Lu, Z. Metallkd., 93, 277-80(2002).
assessment that models this phase

PDSC_B2 (Pd–Sc)

Id: phase:pd-sc:pdsc-b2; status assigned
Structure: CsCl · B2 · cP2 · Pm-3m (221); type st:b2-cscl-cp2; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 300–1872.38 K, x(Sc) 0.5–0.50869
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:pd-sc:pdsc-b2
tdb: tdb:PdSc-02Du.tdb:PDSC_B2

TDB models of PDSC_B2 (1): PHASE and CONSTITUENT statements as written

PdSc-02Du.tdb: PDSC_B2, type code %, sha256 63a13cc650067f3a…

54: PHASE PDSC_B2 % 2 1 1 !
55: CONST PDSC_B2 : PD% VA : SC : !

Example references (1 of 1; assessments first):

doi:10.3139/146.020277 Z. Du, C. Li, L. Lu, Z. Metallkd., 93, 277-80(2002).
assessment that models this phase

PDSC2 (Pd–Sc)

Id: phase:pd-sc:pdsc2; status assigned
Structure: NiTi2 · cF96 · Fd-3m (227); type st:niti2-cf96; 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_227_matches_4_structure_types, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Pd 0.3333, Sc 0.6667
Stability: stable in 1 of 1 calculated diagram(s): 300–1472.82 K, x(Sc) 0.66667–0.66667
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:pd-sc:pdsc2
tdb: tdb:PdSc-02Du.tdb:PDSC2

TDB models of PDSC2 (1): PHASE and CONSTITUENT statements as written

PdSc-02Du.tdb: PDSC2, type code %, sha256 63a13cc650067f3a…

59: PHASE PDSC2 % 2 1 2 !
60: CONST PDSC2 : PD : SC : !

Example references (1 of 1; assessments first):

doi:10.3139/146.020277 Z. Du, C. Li, L. Lu, Z. Metallkd., 93, 277-80(2002).
assessment that models this phase

PDSC4 (Pd–Sc)

Id: phase:pd-sc:pdsc4; status needs_review
No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_row_incomplete
Candidate (sgte_mmc2): (PdSc4) — Hallstedt 2025 mmc2 row for PDSC4: PdSc4
Stoichiometry: Pd 0.2000, Sc 0.8000
Stability: stable in 1 of 1 calculated diagram(s): 300–1312.84 K, x(Sc) 0.8–0.8
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:pd-sc:pdsc4
tdb: tdb:PdSc-02Du.tdb:PDSC4

TDB models of PDSC4 (1): PHASE and CONSTITUENT statements as written

PdSc-02Du.tdb: PDSC4, type code %, sha256 63a13cc650067f3a…

64: PHASE PDSC4 % 2 1 4 !
65: CONST PDSC4 : PD : SC : !

Example references (1 of 1; assessments first):

doi:10.3139/146.020277 Z. Du, C. Li, L. Lu, Z. Metallkd., 93, 277-80(2002).
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}
}