Sc–Zr phases

4 phases (tier A 3, liquid 1); 3 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 · Sc–Zr system page · Markdown · field reference

Phases of the Sc–Zr system (4)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:sc-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300.25–3999.11 K, x(Zr) 0–1	0	4
FCC_A1 phase:sc-zr:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 4 calculated diagram(s)	0	4
HCP_A3 phase:sc-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–1693 K, x(Zr) 0–1	0	4
LIQUID phase:sc-zr:liquid	liquid	liquid	stable in 4 of 4 calculated diagram(s): 1814–4000 K, x(Zr) 0–1	2	4

BCC_A2 (Sc–Zr)

Id: phase:sc-zr: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 4 of 4 calculated diagram(s): 300.25–3999.11 K, x(Zr) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:sc-zr:bcc-a2
tdb: tdb:ScZr-08GTT.tdb:BCC_A2, tdb:ScZr-15Hu.tdb:BCC_A2, tdb:ScZr-15Wan.tdb:BCC_A2, tdb:ScZr-17Bo.tdb:BCC_A2

TDB models of BCC_A2 (4): PHASE and CONSTITUENT statements as written

ScZr-08GTT.tdb: BCC_A2, type code %, sha256 5d20396daa62baed…

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

ScZr-15Hu.tdb: BCC_A2, type code %B, sha256 7e4c6a89551652b7…

31: PHASE BCC_A2 %B 2 1 3 !
32: CONST BCC_A2 : SC ZR : VA : !

ScZr-15Wan.tdb: BCC_A2, type code %B, sha256 530c1e159712da2c…

31: PHASE BCC_A2 %B 2 1 3 !
32: CONST BCC_A2 : SC ZR : VA : !

ScZr-17Bo.tdb: BCC_A2, type code %B, sha256 c69748adf103ee0f…

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

Example references (3 of 3; assessments first):

doi:10.1007/s11669-014-0340-8 S. L. Wang, L. J. Zhou, Y. Ye, X. H. Wang, Y. H. Lin, C. P. Wang et al., Thermodynamic Assessments of the Sc-M (M: Cr, Gd, Mo, W and Zr) Systems, J. Phase Equilib. Diffus. 36, 3-9 (2015).
assessment that models this phase
doi:10.1016/j.commatsci.2017.02.029 H. Bo, L.B. Liu, J.L. Hu, Z.P. Jin, Experimental study and thermodynamic modeling of the Al-Sc-Zr system, Computational Materials Science 133, 82-92 (2017).
assessment that models this phase
doi:10.7503/cjcu20150353 B. Hu, P. Zhou, C. Pan, Y. Du, S. Liu, Y. Li, J. Han, Chem. J. Chin. Univ., 36, 1939-44(2015).
assessment that models this phase

FCC_A1 (Sc–Zr)

Id: phase:sc-zr: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 4 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:sc-zr:fcc-a1
tdb: tdb:ScZr-08GTT.tdb:FCC_A1, tdb:ScZr-15Hu.tdb:FCC_A1, tdb:ScZr-15Wan.tdb:FCC_A1, tdb:ScZr-17Bo.tdb:FCC_A1

TDB models of FCC_A1 (4): PHASE and CONSTITUENT statements as written

ScZr-08GTT.tdb: FCC_A1, type code %, sha256 5d20396daa62baed…

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

ScZr-15Hu.tdb: FCC_A1, type code %A, sha256 7e4c6a89551652b7…

26: PHASE FCC_A1 %A 2 1 1 !
27: CONST FCC_A1 : SC ZR : VA : !

ScZr-15Wan.tdb: FCC_A1, type code %A, sha256 530c1e159712da2c…

26: PHASE FCC_A1 %A 2 1 1 !
27: CONST FCC_A1 : SC ZR : VA : !

ScZr-17Bo.tdb: FCC_A1, type code %A, sha256 c69748adf103ee0f…

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

Example references (3 of 3; assessments first):

doi:10.1007/s11669-014-0340-8 S. L. Wang, L. J. Zhou, Y. Ye, X. H. Wang, Y. H. Lin, C. P. Wang et al., Thermodynamic Assessments of the Sc-M (M: Cr, Gd, Mo, W and Zr) Systems, J. Phase Equilib. Diffus. 36, 3-9 (2015).
assessment that models this phase
doi:10.1016/j.commatsci.2017.02.029 H. Bo, L.B. Liu, J.L. Hu, Z.P. Jin, Experimental study and thermodynamic modeling of the Al-Sc-Zr system, Computational Materials Science 133, 82-92 (2017).
assessment that models this phase
doi:10.7503/cjcu20150353 B. Hu, P. Zhou, C. Pan, Y. Du, S. Liu, Y. Li, J. Han, Chem. J. Chin. Univ., 36, 1939-44(2015).
assessment that models this phase

HCP_A3 (Sc–Zr)

Id: phase:sc-zr: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 4 of 4 calculated diagram(s): 300–1693 K, x(Zr) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:sc-zr:hcp-a3
tdb: tdb:ScZr-08GTT.tdb:HCP_A3, tdb:ScZr-15Hu.tdb:HCP_A3, tdb:ScZr-15Wan.tdb:HCP_A3, tdb:ScZr-17Bo.tdb:HCP_A3

TDB models of HCP_A3 (4): PHASE and CONSTITUENT statements as written

ScZr-08GTT.tdb: HCP_A3, type code %, sha256 5d20396daa62baed…

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

ScZr-15Hu.tdb: HCP_A3, type code %, sha256 7e4c6a89551652b7…

36: PHASE HCP_A3 % 2 1 0.5 !
37: CONST HCP_A3 : SC ZR : VA : !

ScZr-15Wan.tdb: HCP_A3, type code %, sha256 530c1e159712da2c…

36: PHASE HCP_A3 % 2 1 0.5 !
37: CONST HCP_A3 : SC ZR : VA : !

ScZr-17Bo.tdb: HCP_A3, type code %, sha256 c69748adf103ee0f…

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

Example references (3 of 3; assessments first):

doi:10.1007/s11669-014-0340-8 S. L. Wang, L. J. Zhou, Y. Ye, X. H. Wang, Y. H. Lin, C. P. Wang et al., Thermodynamic Assessments of the Sc-M (M: Cr, Gd, Mo, W and Zr) Systems, J. Phase Equilib. Diffus. 36, 3-9 (2015).
assessment that models this phase
doi:10.1016/j.commatsci.2017.02.029 H. Bo, L.B. Liu, J.L. Hu, Z.P. Jin, Experimental study and thermodynamic modeling of the Al-Sc-Zr system, Computational Materials Science 133, 82-92 (2017).
assessment that models this phase
doi:10.7503/cjcu20150353 B. Hu, P. Zhou, C. Pan, Y. Du, S. Liu, Y. Li, J. Han, Chem. J. Chin. Univ., 36, 1939-44(2015).
assessment that models this phase

LIQUID (Sc–Zr)

Id: phase:sc-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 4 of 4 calculated diagram(s): 1814–4000 K, x(Zr) 0–1
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:sc-zr:liquid
paper: paper:10.1007/s11669-014-0340-8:liquid
tdb: tdb:ScZr-08GTT.tdb:LIQUID, tdb:ScZr-15Hu.tdb:LIQUID, tdb:ScZr-15Wan.tdb:LIQUID, tdb:ScZr-17Bo.tdb:LIQUID

TDB models of LIQUID (4): PHASE and CONSTITUENT statements as written

ScZr-08GTT.tdb: LIQUID, type code %, sha256 5d20396daa62baed…

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

ScZr-15Hu.tdb: LIQUID, type code %, sha256 7e4c6a89551652b7…

21: PHASE LIQUID:L % 1 1 !
22: CONST LIQUID:L : SC ZR : !

ScZr-15Wan.tdb: LIQUID, type code %, sha256 530c1e159712da2c…

21: PHASE LIQUID:L % 1 1 !
22: CONST LIQUID:L : SC ZR : !

ScZr-17Bo.tdb: LIQUID, type code %, sha256 c69748adf103ee0f…

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

Example references (3 of 3; assessments first):

doi:10.1007/s11669-014-0340-8 S. L. Wang, L. J. Zhou, Y. Ye, X. H. Wang, Y. H. Lin, C. P. Wang et al., Thermodynamic Assessments of the Sc-M (M: Cr, Gd, Mo, W and Zr) Systems, J. Phase Equilib. Diffus. 36, 3-9 (2015).
assessment that models this phase; reports values for this phase
doi:10.1016/j.commatsci.2017.02.029 H. Bo, L.B. Liu, J.L. Hu, Z.P. Jin, Experimental study and thermodynamic modeling of the Al-Sc-Zr system, Computational Materials Science 133, 82-92 (2017).
assessment that models this phase
doi:10.7503/cjcu20150353 B. Hu, P. Zhou, C. Pan, Y. Du, S. Liu, Y. Li, J. Han, Chem. J. Chin. Univ., 36, 1939-44(2015).
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}
}