Te–Zr phases

11 phases (tier A 7, tier B 3, 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 · Markdown · field reference

Phases of the Te–Zr system (11)
Phase	Structure	Basis	Stability (calculated)	TDB models
HEXAGONAL_A8 phase:te-zr:a8-hexagonal	gamma-Se · A8 · hP3 · P3_121 (152)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–722.66 K, x(Te) 1–1	1
BCC_A2 phase:te-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1139–2952.85 K, x(Te) 0–0	1
FCC_A1 phase:te-zr:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 1 calculated diagram(s)	1
HCP_A3 phase:te-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1139 K, x(Te) 0–0	1
LIQUID phase:te-zr:liquid	liquid	liquid	stable in 1 of 1 calculated diagram(s): 719.41–4000 K, x(Te) 0–1	1
ZR3TE_D0E phase:te-zr:zr3te-d0e	Ni3P · D0_e · tI32 · I-4 (82)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1625.19 K, x(Te) 0.25–0.25	1
ZR5TE4 phase:te-zr:zr5te4	Ti5Te4 · tI18 · I4/m (87)	tier B: DFT-supported (unique MP + OQMD match)	stable in 1 of 1 calculated diagram(s): 300–1834.65 K, x(Te) 0.44444–0.44444	1
ZRTE_BH phase:te-zr:zrte-bh	WC · B_h · hP2 · P-6m2 (187)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1504.56 K, x(Te) 0.5–0.5	1
ZRTE2_B81 phase:te-zr:zrte2-b81	NiAs · B8_1 · hP4 · P6_3/mmc (194)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1933.38 K, x(Te) 0.54601–0.66667	1
ZRTE3 phase:te-zr:zrte3	ZrSe3 · mP8 · P2_1/m (11)	tier B: DFT-supported (unique MP + OQMD match)	stable in 1 of 1 calculated diagram(s): 300–1231.31 K, x(Te) 0.75–0.75	1
ZRTE5 phase:te-zr:zrte5	HfTe5 · oC24 · Cmcm (63)	tier B: DFT-supported (unique MP + OQMD match)	stable in 1 of 1 calculated diagram(s): 300–821.99 K, x(Te) 0.83333–0.83333	1

HEXAGONAL_A8 (Te–Zr)

Id: phase:te-zr:a8-hexagonal; status assigned
Structure: gamma-Se · A8 · hP3 · P3_121 (152); type st:a8-gamma-se-hp3; tier A: standard phase name; confidence high
Stoichiometry: Te 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 300–722.66 K, x(Te) 1–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:te-zr:a8-hexagonal
tdb: tdb:ZrTe-21Don.tdb:HEXAGONAL_A8

TDB models of HEXAGONAL_A8 (1): PHASE and CONSTITUENT statements as written

ZrTe-21Don.tdb: HEXAGONAL_A8, type code %, sha256 6a4d51c982395e56…

41: PHASE HEXAGONAL_A8 % 1 1 !
42: CONST HEXAGONAL_A8 : TE : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102281 C. Dong, J. Wang, B. Hu, L. Zhu, Q. Wu, Y. Du, Calphad, 74, 102281(2021).
assessment that models this phase

BCC_A2 (Te–Zr)

Id: phase:te-zr:bcc-a2; status assigned
Structure: W · A2 · cI2 · Im-3m (229); type st:a2-w-ci2; tier A: standard phase name; confidence high
Stoichiometry: Zr 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 1139–2952.85 K, x(Te) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:te-zr:bcc-a2
tdb: tdb:ZrTe-21Don.tdb:BCC_A2

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

ZrTe-21Don.tdb: BCC_A2, type code %B, sha256 6a4d51c982395e56…

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

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102281 C. Dong, J. Wang, B. Hu, L. Zhu, Q. Wu, Y. Du, Calphad, 74, 102281(2021).
assessment that models this phase

FCC_A1 (Te–Zr)

Id: phase:te-zr:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; tier A: standard phase name; confidence high
Stoichiometry: Zr 1.0000
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:te-zr:fcc-a1
tdb: tdb:ZrTe-21Don.tdb:FCC_A1

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

ZrTe-21Don.tdb: FCC_A1, type code %A, sha256 6a4d51c982395e56…

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

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102281 C. Dong, J. Wang, B. Hu, L. Zhu, Q. Wu, Y. Du, Calphad, 74, 102281(2021).
assessment that models this phase

HCP_A3 (Te–Zr)

Id: phase:te-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
Stoichiometry: Zr 1.0000
Stability: stable in 1 of 1 calculated diagram(s): 300–1139 K, x(Te) 0–0
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:te-zr:hcp-a3
tdb: tdb:ZrTe-21Don.tdb:HCP_A3

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

ZrTe-21Don.tdb: HCP_A3, type code %A, sha256 6a4d51c982395e56…

34: PHASE HCP_A3 %A 2 1 0.5 !
35: CONST HCP_A3 : ZR : VA : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102281 C. Dong, J. Wang, B. Hu, L. Zhu, Q. Wu, Y. Du, Calphad, 74, 102281(2021).
assessment that models this phase

LIQUID (Te–Zr)

Id: phase:te-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 719.41–4000 K, x(Te) 0–1
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:te-zr:liquid
tdb: tdb:ZrTe-21Don.tdb:LIQUID

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

ZrTe-21Don.tdb: LIQUID, type code %, sha256 6a4d51c982395e56…

19: PHASE LIQUID:L % 1 1 !
20: CONST LIQUID:L : TE ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102281 C. Dong, J. Wang, B. Hu, L. Zhu, Q. Wu, Y. Du, Calphad, 74, 102281(2021).
assessment that models this phase

ZR3TE_D0E (Te–Zr)

Id: phase:te-zr:zr3te-d0e; status assigned
Structure: Ni3P · D0_e · tI32 · I-4 (82); type st:d0-e-ni3p-ti32; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaacqz and oqmd-646647, space group 82
Stoichiometry: Te 0.2500, Zr 0.7500
Stability: stable in 1 of 1 calculated diagram(s): 300–1625.19 K, x(Te) 0.25–0.25
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:te-zr:zr3te-d0e
mp: mp:mp-aaaaacqz
oqmd: oqmd:oqmd-646647
tdb: tdb:ZrTe-21Don.tdb:ZR3TE_D0E

TDB models of ZR3TE_D0E (1): PHASE and CONSTITUENT statements as written

ZrTe-21Don.tdb: ZR3TE_D0E, type code %, sha256 6a4d51c982395e56…

46: PHASE ZR3TE_D0E % 2 3 1 !
47: CONST ZR3TE_D0E : ZR : TE : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102281 C. Dong, J. Wang, B. Hu, L. Zhu, Q. Wu, Y. Du, Calphad, 74, 102281(2021).
assessment that models this phase

ZR5TE4 (Te–Zr)

Id: phase:te-zr:zr5te4; status assigned
Structure: Ti5Te4 · tI18 · I4/m (87); type st:ti5te4-ti18; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: Te 0.4444, Zr 0.5556
Stability: stable in 1 of 1 calculated diagram(s): 300–1834.65 K, x(Te) 0.44444–0.44444
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:te-zr:zr5te4
mp: mp:mp-aaaaaanm
oqmd: oqmd:oqmd-646646
tdb: tdb:ZrTe-21Don.tdb:ZR5TE4

TDB models of ZR5TE4 (1): PHASE and CONSTITUENT statements as written

ZrTe-21Don.tdb: ZR5TE4, type code %, sha256 6a4d51c982395e56…

51: PHASE ZR5TE4 % 2 5 4 !
52: CONST ZR5TE4 : ZR : TE : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102281 C. Dong, J. Wang, B. Hu, L. Zhu, Q. Wu, Y. Du, Calphad, 74, 102281(2021).
assessment that models this phase

ZRTE_BH (Te–Zr)

Id: phase:te-zr:zrte-bh; status assigned
Structure: WC · B_h · hP2 · P-6m2 (187); type st:b-h-wc-hp2; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaachf and oqmd-31237, space group 187
Stoichiometry: Te 0.5000, Zr 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 300–1504.56 K, x(Te) 0.5–0.5
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:te-zr:zrte-bh
mp: mp:mp-aaaaachf
oqmd: oqmd:oqmd-31237
tdb: tdb:ZrTe-21Don.tdb:ZRTE_BH

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

ZrTe-21Don.tdb: ZRTE_BH, type code %, sha256 6a4d51c982395e56…

56: PHASE ZRTE_BH % 2 1 1 !
57: CONST ZRTE_BH : ZR : TE : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102281 C. Dong, J. Wang, B. Hu, L. Zhu, Q. Wu, Y. Du, Calphad, 74, 102281(2021).
assessment that models this phase

ZRTE2_B81 (Te–Zr)

Id: phase:te-zr:zrte2-b81; status assigned
Structure: NiAs · B8_1 · hP4 · P6_3/mmc (194); type st:b8-1-nias-hp4; tier A: standard phase name; confidence high
Stability: stable in 1 of 1 calculated diagram(s): 300–1933.38 K, x(Te) 0.54601–0.66667
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:te-zr:zrte2-b81
tdb: tdb:ZrTe-21Don.tdb:ZRTE2_B81

TDB models of ZRTE2_B81 (1): PHASE and CONSTITUENT statements as written

ZrTe-21Don.tdb: ZRTE2_B81, type code %, sha256 6a4d51c982395e56…

61: PHASE ZRTE2_B81 % 3 1 1 1 !
62: CONST ZRTE2_B81 : ZR% VA : ZR TE% : TE : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102281 C. Dong, J. Wang, B. Hu, L. Zhu, Q. Wu, Y. Du, Calphad, 74, 102281(2021).
assessment that models this phase

ZRTE3 (Te–Zr)

Id: phase:te-zr:zrte3; status assigned
Structure: ZrSe3 · mP8 · P2_1/m (11); type st:zrse3-mp8; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: Te 0.7500, Zr 0.2500
Stability: stable in 1 of 1 calculated diagram(s): 300–1231.31 K, x(Te) 0.75–0.75
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:te-zr:zrte3
mp: mp:mp-aaaaadcj
oqmd: oqmd:oqmd-7677
tdb: tdb:ZrTe-21Don.tdb:ZRTE3

TDB models of ZRTE3 (1): PHASE and CONSTITUENT statements as written

ZrTe-21Don.tdb: ZRTE3, type code %, sha256 6a4d51c982395e56…

66: PHASE ZRTE3 % 2 1 3 !
67: CONST ZRTE3 : ZR : TE : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102281 C. Dong, J. Wang, B. Hu, L. Zhu, Q. Wu, Y. Du, Calphad, 74, 102281(2021).
assessment that models this phase

ZRTE5 (Te–Zr)

Id: phase:te-zr:zrte5; status assigned
Structure: HfTe5 · oC24 · Cmcm (63); type st:hfte5-oc24; tier B: DFT-supported (unique MP + OQMD match); confidence high
Stoichiometry: Te 0.8333, Zr 0.1667
Stability: stable in 1 of 1 calculated diagram(s): 300–821.99 K, x(Te) 0.83333–0.83333
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:te-zr:zrte5
mp: mp:mp-aaaaaaxh
oqmd: oqmd:oqmd-15246
tdb: tdb:ZrTe-21Don.tdb:ZRTE5

TDB models of ZRTE5 (1): PHASE and CONSTITUENT statements as written

ZrTe-21Don.tdb: ZRTE5, type code %, sha256 6a4d51c982395e56…

71: PHASE ZRTE5 % 2 1 5 !
72: CONST ZRTE5 : ZR : TE : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2021.102281 C. Dong, J. Wang, B. Hu, L. Zhu, Q. Wu, Y. Du, Calphad, 74, 102281(2021).
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}
}