As–Zn phases

9 phases (tier A 5, tier C 2, liquid 1, needs_review 1); 7 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 · As–Zn system page · Markdown · field reference

Phases of the As–Zn system (9)
Phase	Structure	Basis	Stability (calculated)	TDB models
RHOMBOHEDRAL_A7 phase:as-zn:a7-rhombohedral	alpha-As · A7 · hR2 · R-3m (166)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1093 K, x(As) 0.99997–1	1
BCC_A2 phase:as-zn:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	not stable in 1 calculated diagram(s)	1
FCC_A1 phase:as-zn:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 1 calculated diagram(s)	1
HCP_A3 phase:as-zn:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1147.68 K, x(As) 0–0	1
LIQUID phase:as-zn:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 689.6–2500 K, x(As) 0–1	1
ZN3AS2_RT phase:as-zn:zn3as2	Cd3As2 · tI160 · I4_1cd (110)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–462.6 K, x(As) 0.4–0.4	1
ZN3AS2_C1 phase:as-zn:zn3as2-c1		needs_review	stable in 1 of 1 calculated diagram(s): 923.97–1288.87 K, x(As) 0.4–0.4	1
ZN3AS2_D59 phase:as-zn:zn3as2-d59	Zn3P2 · D5_9 · tP40 · P4_2/nmc (137)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 462.6–923.97 K, x(As) 0.4–0.4	1
ZNAS2 phase:as-zn:znas2	ZnAs2 · mP24 · P2_1/c (14)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–1043.28 K, x(As) 0.66667–0.67	1

RHOMBOHEDRAL_A7 (As–Zn)

Id: phase:as-zn: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): 300–1093 K, x(As) 0.99997–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:as-zn:a7-rhombohedral
tdb: tdb:ZnAs-15Gha.tdb:RHOMBOHEDRAL_A7

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

ZnAs-15Gha.tdb: RHOMBOHEDRAL_A7, type code %, sha256 6243128aa65ab792…

51: PHASE RHOMBOHEDRAL_A7 % 1 1 !
52: CONST RHOMBOHEDRAL_A7 : AS% ZN : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2015.03.051 Masoomeh Ghasemi, Jonas Johansson, Thermodynamic assessment of the As–Zn and As–Ga–Zn systems, Journal of Alloys and Compounds 638, 95-102 (2015).
assessment that models this phase

BCC_A2 (As–Zn)

Id: phase:as-zn:bcc-a2; status assigned
Structure: W · A2 · cI2 · Im-3m (229); type st:a2-w-ci2; 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:as-zn:bcc-a2
tdb: tdb:ZnAs-15Gha.tdb:BCC_A2

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

ZnAs-15Gha.tdb: BCC_A2, type code %B, sha256 6243128aa65ab792…

41: PHASE BCC_A2 %B 2 1 3 !
42: CONST BCC_A2 : AS ZN : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2015.03.051 Masoomeh Ghasemi, Jonas Johansson, Thermodynamic assessment of the As–Zn and As–Ga–Zn systems, Journal of Alloys and Compounds 638, 95-102 (2015).
assessment that models this phase

FCC_A1 (As–Zn)

Id: phase:as-zn: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:as-zn:fcc-a1
tdb: tdb:ZnAs-15Gha.tdb:FCC_A1

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

ZnAs-15Gha.tdb: FCC_A1, type code %A, sha256 6243128aa65ab792…

36: PHASE FCC_A1 %A 2 1 1 !
37: CONST FCC_A1 : AS ZN : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2015.03.051 Masoomeh Ghasemi, Jonas Johansson, Thermodynamic assessment of the As–Zn and As–Ga–Zn systems, Journal of Alloys and Compounds 638, 95-102 (2015).
assessment that models this phase

HCP_A3 (As–Zn)

Id: phase:as-zn: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): 300–1147.68 K, x(As) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:as-zn:hcp-a3
tdb: tdb:ZnAs-15Gha.tdb:HCP_A3

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

ZnAs-15Gha.tdb: HCP_A3, type code %A, sha256 6243128aa65ab792…

46: PHASE HCP_A3 %A 2 1 0.5 !
47: CONST HCP_A3 : AS ZN% : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2015.03.051 Masoomeh Ghasemi, Jonas Johansson, Thermodynamic assessment of the As–Zn and As–Ga–Zn systems, Journal of Alloys and Compounds 638, 95-102 (2015).
assessment that models this phase

LIQUID (As–Zn)

Id: phase:as-zn:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 689.6–2500 K, x(As) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:as-zn:liquid
tdb: tdb:ZnAs-15Gha.tdb:LIQUID

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

ZnAs-15Gha.tdb: LIQUID, type code %, sha256 6243128aa65ab792…

31: PHASE LIQUID:L % 1 1 !
32: CONST LIQUID:L : AS ZN ZN3AS2 : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2015.03.051 Masoomeh Ghasemi, Jonas Johansson, Thermodynamic assessment of the As–Zn and As–Ga–Zn systems, Journal of Alloys and Compounds 638, 95-102 (2015).
assessment that models this phase

ZN3AS2_RT (As–Zn)

Id: phase:as-zn:zn3as2; status assigned
Structure: Cd3As2 · tI160 · I4_1cd (110); type st:cd3as2-ti160; 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_structure_token, polymorph_family:other phases of this system have the same composition); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: As 0.4000, Zn 0.6000
Stability: stable in 1 of 1 calculated diagram(s): 300–462.6 K, x(As) 0.4–0.4
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:as-zn:zn3as2
tdb: tdb:ZnAs-15Gha.tdb:ZN3AS2_RT

TDB models of ZN3AS2_RT (1): PHASE and CONSTITUENT statements as written

ZnAs-15Gha.tdb: ZN3AS2_RT, type code %, sha256 6243128aa65ab792…

56: PHASE ZN3AS2_RT % 2 3 2 !
57: CONST ZN3AS2_RT : ZN : AS : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2015.03.051 Masoomeh Ghasemi, Jonas Johansson, Thermodynamic assessment of the As–Zn and As–Ga–Zn systems, Journal of Alloys and Compounds 638, 95-102 (2015).
assessment that models this phase

ZN3AS2_C1 (As–Zn)

Id: phase:as-zn:zn3as2-c1; status needs_review
No structure assigned. Why: assessment_declared_blocked_by:stoichiometry_contradicts_C1; stoichiometry_contradicts_C1:ZnAs-15Gha.tdb
Candidate (dft_mp): P4_2/nbc (133) — on-hull MP Zn3As2 at x(ZN)=0.6000
Candidate (dft_oqmd): P42/nmc (137) — on-hull OQMD As2 Zn3 at x(ZN)=0.6000
Candidate (name_token): CaF2 · C1 · cF12 · Fm-3m (225) — Strukturbericht/word 'C1' in the TDB name
Candidate (sgte_mmc2): CaF2 · C1 · cF12 · Fm-3m (225) — Hallstedt 2025 mmc2 row for ZN3AS2_C1: Zn3As2 (ht2)
Candidate (tdb_comment): CaF2 · cF12 · Fm-3m — ZnAs-15Gha.tdb: 'Prototype CaF2 (cF12, Fm-3m)'
Stoichiometry: As 0.4000, Zn 0.6000
Stability: stable in 1 of 1 calculated diagram(s): 923.97–1288.87 K, x(As) 0.4–0.4
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:as-zn:zn3as2-c1
tdb: tdb:ZnAs-15Gha.tdb:ZN3AS2_C1

TDB models of ZN3AS2_C1 (1): PHASE and CONSTITUENT statements as written

ZnAs-15Gha.tdb: ZN3AS2_C1, type code %, sha256 6243128aa65ab792…

66: PHASE ZN3AS2_C1 % 2 3 2 !
67: CONST ZN3AS2_C1 : ZN : AS : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2015.03.051 Masoomeh Ghasemi, Jonas Johansson, Thermodynamic assessment of the As–Zn and As–Ga–Zn systems, Journal of Alloys and Compounds 638, 95-102 (2015).
assessment that models this phase

ZN3AS2_D59 (As–Zn)

Id: phase:as-zn:zn3as2-d59; status assigned
Structure: Zn3P2 · D5_9 · tP40 · P4_2/nmc (137); type st:d5-9-zn3p2-tp40; tier A: standard phase name; confidence high
Stoichiometry: As 0.4000, Zn 0.6000
Stability: stable in 1 of 1 calculated diagram(s): 462.6–923.97 K, x(As) 0.4–0.4
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:as-zn:zn3as2-d59
tdb: tdb:ZnAs-15Gha.tdb:ZN3AS2_D59

TDB models of ZN3AS2_D59 (1): PHASE and CONSTITUENT statements as written

ZnAs-15Gha.tdb: ZN3AS2_D59, type code %, sha256 6243128aa65ab792…

61: PHASE ZN3AS2_D59 % 2 3 2 !
62: CONST ZN3AS2_D59 : ZN : AS : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2015.03.051 Masoomeh Ghasemi, Jonas Johansson, Thermodynamic assessment of the As–Zn and As–Ga–Zn systems, Journal of Alloys and Compounds 638, 95-102 (2015).
assessment that models this phase

ZNAS2 (As–Zn)

Id: phase:as-zn:znas2; status assigned
Structure: ZnAs2 · mP24 · P2_1/c (14); type st:znas2-mp24; 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_structure_token, off_stoichiometric_model); structure as stated in the SGTE crystallographic table for this phase name and system
Stability: stable in 1 of 1 calculated diagram(s): 300–1043.28 K, x(As) 0.66667–0.67
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:as-zn:znas2
tdb: tdb:ZnAs-15Gha.tdb:ZNAS2

TDB models of ZNAS2 (1): PHASE and CONSTITUENT statements as written

ZnAs-15Gha.tdb: ZNAS2, type code %, sha256 6243128aa65ab792…

71: PHASE ZNAS2 % 2 1 2 !
72: CONST ZNAS2 : ZN% AS : AS : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2015.03.051 Masoomeh Ghasemi, Jonas Johansson, Thermodynamic assessment of the As–Zn and As–Ga–Zn systems, Journal of Alloys and Compounds 638, 95-102 (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}
}