Bi–Te phases

13 phases (tier A 6, tier C 4, liquid 1, needs_review 2); 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 · Bi–Te system page · Markdown · field reference

Phases of the Bi–Te system (13)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
RHOMBOHEDRAL_A7 phase:bi-te:a7-rhombohedral	alpha-As · A7 · hR2 · R-3m (166)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–544.55 K, x(Te) 0–0	10	4
HEXAGONAL_A8 phase:bi-te:a8-hexagonal	gamma-Se · A8 · hP3 · P3_121 (152)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–722.66 K, x(Te) 1–1	10	4
BCC_A2 phase:bi-te:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	not stable in 4 calculated diagram(s)	0	4
BI2TE phase:bi-te:bi2te	Sb2Te · hP9 · P-3m1 (164)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 4 of 4 calculated diagram(s): 300–694.45 K, x(Te) 0.33333–0.33333	22	4
BI2TE3_C33 phase:bi-te:bi2te3-c33	Bi2Te3 · C33 · hR5 · R-3m (166)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–860.19 K, x(Te) 0.59625–0.60707	30	4
BI4TE3 phase:bi-te:bi4te3	Bi4Se3 · hR7 · R-3m (166)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 3 of 3 calculated diagram(s): 300–725.96 K, x(Te) 0.42857–0.42857	7	3
BI4TE5 phase:bi-te:bi4te5		needs_review	stable in 1 of 1 calculated diagram(s): 300–833.61 K, x(Te) 0.55556–0.55556	7	1
BI7TE3 phase:bi-te:bi7te3	Sb8Te3 · hR11 · R-3m (166)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 2 of 2 calculated diagram(s): 300–604.83 K, x(Te) 0.3–0.3	21	2
BI8TE9 phase:bi-te:bi8te9	Bi8Se9 · hR17 · R-3m (166)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–822.75 K, x(Te) 0.52941–0.52941	7	1
BITE phase:bi-te:bite		needs_review	stable in 4 of 4 calculated diagram(s): 300–832.68 K, x(Te) 0.27635–0.56605	25	4
FCC_A1 phase:bi-te: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:bi-te:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	not stable in 4 calculated diagram(s)	0	4
LIQUID phase:bi-te:liquid	liquid	liquid	stable in 4 of 4 calculated diagram(s): 536.46–2500 K, x(Te) 0–1	54	4

RHOMBOHEDRAL_A7 (Bi–Te)

Id: phase:bi-te: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
Stoichiometry: Bi 1.0000
Stability: stable in 4 of 4 calculated diagram(s): 300–544.55 K, x(Te) 0–0
Literature: 10 values (10 accepted) from 2 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:bi-te:a7-rhombohedral, corpus:phase:bi-te:rhombohedral-a7
paper: paper:10.1007/s11669-023-01049-9:(Bi), paper:10.1007/s11669-024-01093-z:(Bi)
tdb: tdb:BiTe-18Gie.tdb:RHOMBOHEDRAL_A7, tdb:BiTe-18Mao.tdb:RHOMBOHEDRAL_A7, tdb:BiTe-23Drz.tdb:RHOMBOHEDRAL_A7, tdb:BiTe-24Zho.tdb:RHOMBOHEDRAL_A7

TDB models of RHOMBOHEDRAL_A7 (4): PHASE and CONSTITUENT statements as written

BiTe-18Gie.tdb: RHOMBOHEDRAL_A7, type code %, sha256 e62921a019778da4…

55: PHASE RHOMBOHEDRAL_A7 % 1 1 !
56: CONST RHOMBOHEDRAL_A7 : BI : !

BiTe-18Mao.tdb: RHOMBOHEDRAL_A7, type code %, sha256 48a482c6fa140bba…

47: PHASE RHOMBOHEDRAL_A7 % 1 1 !
48: CONST RHOMBOHEDRAL_A7 : BI : !

BiTe-23Drz.tdb: RHOMBOHEDRAL_A7, type code %, sha256 f0f0bd5a3c792778…

52: PHASE RHOMBOHEDRAL_A7 % 1 1 !
53: CONST RHOMBOHEDRAL_A7 : BI : !

BiTe-24Zho.tdb: RHOMBOHEDRAL_A7, type code %, sha256 2cbb5fbf130932bd…

46: PHASE RHOMBOHEDRAL_A7 % 1 1 !
47: CONST RHOMBOHEDRAL_A7 : BI : !

Example references (8 of 8; assessments first):

doi:10.1007/s11669-023-01049-9 S. Drzewowska, B. Onderka, Different Approach to Thermodynamic Description of Bi-Te Binary System, J. Phase Equilib. Diffus. 44, 429-444 (2023).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1007/s11669-024-01093-z Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui, Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems, J. Phase Equilib. Diffus. 45, 89-113 (2024).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2017.11.007 C. Mao, M. Tan, L. Zhang, D. Wu, W. Bai, and L. Liu, Experimental Reinvestigation and Thermodynamic Description of Bi-Te Binary System, Calphad, 2018, 60, p 81–89.
assessment that models this phase
doi:10.1016/j.calphad.2018.08.005 W. Gierlotka, Calphad, 63, 6-11(2018).
assessment that models this phase
doi:10.1149/1.2423400 A.C. Glatz, An Evaluation of the Bismuth-Tellurium Phase System, J. Electrochem. Soc., 1965, 112, p 1204–1207.
cited as the source of values for this phase
doi:10.1007/978-1-4899-6373-4 Nikolai Khrisanfovich Abrikosov, V. F. Bankina, L. V. Poretskaya, L. E. Shelimova, E. V. Skudnova, Semiconducting II–VI, IV–VI, and V–VI Compounds, (1969).
cited as the source of values for this phase
doi:10.1007/s11837-021-04621-1 Gunel S. Hasanova, Aytan I. Aghazade, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Refinement of the Phase Diagram of the Bi-Te System and the Thermodynamic Properties of Lower Bismuth Tellurides, JOM 73, 1511-1521 (2021).
cited as the source of values for this phase
doi:10.1107/s0567740879002788 K. Yamana, K. Kihara, T. Matsumoto, Bismuth tellurides: BiTe and Bi4Te3, Acta Crystallogr B Struct Sci 35, 147-149 (1979).
cited as the source of values for this phase

HEXAGONAL_A8 (Bi–Te)

Id: phase:bi-te: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 4 of 4 calculated diagram(s): 300–722.66 K, x(Te) 1–1
Literature: 10 values (10 accepted) from 2 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:bi-te:a8-hexagonal, corpus:phase:bi-te:hexagonal-a8
paper: paper:10.1007/s11669-023-01049-9:(Te), paper:10.1007/s11669-024-01093-z:(Te)
tdb: tdb:BiTe-18Gie.tdb:HEXAGONAL_A8, tdb:BiTe-18Mao.tdb:HEXAGONAL_A8, tdb:BiTe-23Drz.tdb:HEXAGONAL_A8, tdb:BiTe-24Zho.tdb:HEXAGONAL_A8

TDB models of HEXAGONAL_A8 (4): PHASE and CONSTITUENT statements as written

BiTe-18Gie.tdb: HEXAGONAL_A8, type code %, sha256 e62921a019778da4…

62: PHASE HEXAGONAL_A8 % 1 1 !
63: CONST HEXAGONAL_A8 : TE : !

BiTe-18Mao.tdb: HEXAGONAL_A8, type code %, sha256 48a482c6fa140bba…

54: PHASE HEXAGONAL_A8 % 1 1 !
55: CONST HEXAGONAL_A8 : TE : !

BiTe-23Drz.tdb: HEXAGONAL_A8, type code %, sha256 f0f0bd5a3c792778…

59: PHASE HEXAGONAL_A8 % 1 1 !
60: CONST HEXAGONAL_A8 : TE : !

BiTe-24Zho.tdb: HEXAGONAL_A8, type code %, sha256 2cbb5fbf130932bd…

53: PHASE HEXAGONAL_A8 % 1 1 !
54: CONST HEXAGONAL_A8 : TE : !

Example references (6 of 6; assessments first):

doi:10.1007/s11669-023-01049-9 S. Drzewowska, B. Onderka, Different Approach to Thermodynamic Description of Bi-Te Binary System, J. Phase Equilib. Diffus. 44, 429-444 (2023).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1007/s11669-024-01093-z Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui, Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems, J. Phase Equilib. Diffus. 45, 89-113 (2024).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2017.11.007 C. Mao, M. Tan, L. Zhang, D. Wu, W. Bai, and L. Liu, Experimental Reinvestigation and Thermodynamic Description of Bi-Te Binary System, Calphad, 2018, 60, p 81–89.
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/j.calphad.2018.08.005 W. Gierlotka, Calphad, 63, 6-11(2018).
assessment that models this phase
doi:10.1149/1.2423400 A.C. Glatz, An Evaluation of the Bismuth-Tellurium Phase System, J. Electrochem. Soc., 1965, 112, p 1204–1207.
cited as the source of values for this phase
doi:10.1007/978-1-4899-6373-4 Nikolai Khrisanfovich Abrikosov, V. F. Bankina, L. V. Poretskaya, L. E. Shelimova, E. V. Skudnova, Semiconducting II–VI, IV–VI, and V–VI Compounds, (1969).
cited as the source of values for this phase

BCC_A2 (Bi–Te)

Id: phase:bi-te:bcc-a2; status assigned
Structure: W · A2 · cI2 · Im-3m (229); type st:a2-w-ci2; tier A: standard phase name; confidence high
Stoichiometry: Bi 1.0000
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:bi-te:bcc-a2
tdb: tdb:BiTe-18Gie.tdb:BCC_A2, tdb:BiTe-18Mao.tdb:BCC_A2, tdb:BiTe-23Drz.tdb:BCC_A2, tdb:BiTe-24Zho.tdb:BCC_A2

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

BiTe-18Gie.tdb: BCC_A2, type code %B, sha256 e62921a019778da4…

45: PHASE BCC_A2 %B 2 1 3 !
46: CONST BCC_A2 : BI : VA : !

BiTe-18Mao.tdb: BCC_A2, type code %B, sha256 48a482c6fa140bba…

37: PHASE BCC_A2 %B 2 1 3 !
38: CONST BCC_A2 : BI : VA : !

BiTe-23Drz.tdb: BCC_A2, type code %B, sha256 f0f0bd5a3c792778…

42: PHASE BCC_A2 %B 2 1 3 !
43: CONST BCC_A2 : BI : VA : !

BiTe-24Zho.tdb: BCC_A2, type code %B, sha256 2cbb5fbf130932bd…

36: PHASE BCC_A2 %B 2 1 3 !
37: CONST BCC_A2 : BI : VA : !

Example references (4 of 4; assessments first):

doi:10.1007/s11669-023-01049-9 S. Drzewowska, B. Onderka, Different Approach to Thermodynamic Description of Bi-Te Binary System, J. Phase Equilib. Diffus. 44, 429-444 (2023).
assessment that models this phase
doi:10.1007/s11669-024-01093-z Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui, Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems, J. Phase Equilib. Diffus. 45, 89-113 (2024).
assessment that models this phase
doi:10.1016/j.calphad.2017.11.007 C. Mao, M. Tan, L. Zhang, D. Wu, W. Bai, and L. Liu, Experimental Reinvestigation and Thermodynamic Description of Bi-Te Binary System, Calphad, 2018, 60, p 81–89.
assessment that models this phase
doi:10.1016/j.calphad.2018.08.005 W. Gierlotka, Calphad, 63, 6-11(2018).
assessment that models this phase

BI2TE (Bi–Te)

Id: phase:bi-te:bi2te; status assigned
Structure: Sb2Te · hP9 · P-3m1 (164); type st:sb2te-hp9; 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_mp, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Bi 0.6667, Te 0.3333
Stability: stable in 4 of 4 calculated diagram(s): 300–694.45 K, x(Te) 0.33333–0.33333
Literature: 22 values (22 accepted) from 2 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:bi-te:bi2te
paper: paper:10.1007/s11669-023-01049-9:Bi2Te, paper:10.1007/s11669-024-01093-z:Bi2Te
tdb: tdb:BiTe-18Gie.tdb:BI2TE, tdb:BiTe-18Mao.tdb:BI2TE, tdb:BiTe-23Drz.tdb:BI2TE, tdb:BiTe-24Zho.tdb:BI2TE

TDB models of BI2TE (4): PHASE and CONSTITUENT statements as written

BiTe-18Gie.tdb: BI2TE, type code %, sha256 e62921a019778da4…

67: PHASE BI2TE % 2 2 1 !
68: CONST BI2TE : BI : TE : !

BiTe-18Mao.tdb: BI2TE, type code %, sha256 48a482c6fa140bba…

59: PHASE BI2TE % 2 2 1 !
60: CONST BI2TE : BI : TE : !

BiTe-23Drz.tdb: BI2TE, type code %, sha256 f0f0bd5a3c792778…

69: PHASE BI2TE % 2 2 1 !
70: CONST BI2TE : BI : TE : !

BiTe-24Zho.tdb: BI2TE, type code %, sha256 2cbb5fbf130932bd…

63: PHASE BI2TE % 2 2 1 !
64: CONST BI2TE : BI : TE : !

Example references (7 of 7; assessments first):

doi:10.1007/s11669-023-01049-9 S. Drzewowska, B. Onderka, Different Approach to Thermodynamic Description of Bi-Te Binary System, J. Phase Equilib. Diffus. 44, 429-444 (2023).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1007/s11669-024-01093-z Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui, Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems, J. Phase Equilib. Diffus. 45, 89-113 (2024).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2017.11.007 C. Mao, M. Tan, L. Zhang, D. Wu, W. Bai, and L. Liu, Experimental Reinvestigation and Thermodynamic Description of Bi-Te Binary System, Calphad, 2018, 60, p 81–89.
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/j.calphad.2018.08.005 W. Gierlotka, Calphad, 63, 6-11(2018).
assessment that models this phase
doi:10.1007/s11837-021-04621-1 Gunel S. Hasanova, Aytan I. Aghazade, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Refinement of the Phase Diagram of the Bi-Te System and the Thermodynamic Properties of Lower Bismuth Tellurides, JOM 73, 1511-1521 (2021).
cited as the source of values for this phase
doi:10.1007/978-1-4899-6373-4 Nikolai Khrisanfovich Abrikosov, V. F. Bankina, L. V. Poretskaya, L. E. Shelimova, E. V. Skudnova, Semiconducting II–VI, IV–VI, and V–VI Compounds, (1969).
cited as the source of values for this phase
doi:10.1107/s0567740879002788 K. Yamana, K. Kihara, T. Matsumoto, Bismuth tellurides: BiTe and Bi4Te3, Acta Crystallogr B Struct Sci 35, 147-149 (1979).
cited as the source of values for this phase

BI2TE3_C33 (Bi–Te)

Id: phase:bi-te:bi2te3-c33; status assigned
Structure: Bi2Te3 · C33 · hR5 · R-3m (166); type st:c33-bi2te3-hr5; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in BiTe-18Gie.tdb also describes the disordered state
Caveat: partitioned order/disorder model in BiTe-23Drz.tdb also describes the disordered state
Caveat: partitioned order/disorder model in BiTe-24Zho.tdb also describes the disordered state
Stability: stable in 4 of 4 calculated diagram(s): 300–860.19 K, x(Te) 0.59625–0.60707
Literature: 30 values (30 accepted) from 2 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:bi-te:bi2te3-c33
paper: paper:10.1007/s11669-023-01049-9:Bi2Te3, paper:10.1007/s11669-024-01093-z:Bi2Te3
tdb: tdb:BiTe-18Gie.tdb:BI2TE3_C33, tdb:BiTe-18Mao.tdb:BI2TE3_C33, tdb:BiTe-23Drz.tdb:BI2TE3_C33, tdb:BiTe-24Zho.tdb:BI2TE3_C33

TDB models of BI2TE3_C33 (4): PHASE and CONSTITUENT statements as written

BiTe-18Gie.tdb: BI2TE3_C33, type code %, sha256 e62921a019778da4…

82: PHASE BI2TE3_C33 % 2 2 3 !
83: CONST BI2TE3_C33 : BI% TE : BI TE% : !

BiTe-18Mao.tdb: BI2TE3_C33, type code %, sha256 48a482c6fa140bba…

74: PHASE BI2TE3_C33 % 2 2 3 !
75: CONST BI2TE3_C33 : BI : TE : !

BiTe-23Drz.tdb: BI2TE3_C33, type code %, sha256 f0f0bd5a3c792778…

79: PHASE BI2TE3_C33 % 2 2 3 !
80: CONST BI2TE3_C33 : BI% TE : BI TE% : !

BiTe-24Zho.tdb: BI2TE3_C33, type code %, sha256 2cbb5fbf130932bd…

88: PHASE BI2TE3_C33 % 2 2 3 !
89: CONST BI2TE3_C33 : BI% TE : BI TE% : !

Example references (9 of 9; assessments first):

doi:10.1007/s11669-023-01049-9 S. Drzewowska, B. Onderka, Different Approach to Thermodynamic Description of Bi-Te Binary System, J. Phase Equilib. Diffus. 44, 429-444 (2023).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1007/s11669-024-01093-z Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui, Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems, J. Phase Equilib. Diffus. 45, 89-113 (2024).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2017.11.007 C. Mao, M. Tan, L. Zhang, D. Wu, W. Bai, and L. Liu, Experimental Reinvestigation and Thermodynamic Description of Bi-Te Binary System, Calphad, 2018, 60, p 81–89.
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/j.calphad.2018.08.005 W. Gierlotka, Calphad, 63, 6-11(2018).
assessment that models this phase
doi:10.1149/1.2423400 A.C. Glatz, An Evaluation of the Bismuth-Tellurium Phase System, J. Electrochem. Soc., 1965, 112, p 1204–1207.
cited as the source of values for this phase
doi:10.1007/978-1-4899-6373-4 Nikolai Khrisanfovich Abrikosov, V. F. Bankina, L. V. Poretskaya, L. E. Shelimova, E. V. Skudnova, Semiconducting II–VI, IV–VI, and V–VI Compounds, (1969).
cited as the source of values for this phase
doi:10.1021/j100849a043 Robert F. Brebrick, Tellurium vapor pressure and optical density at 370-615.degree., J. Phys. Chem. 72, 1032-1036 (1968).
cited as the source of values for this phase
doi:10.1007/s11837-021-04621-1 Gunel S. Hasanova, Aytan I. Aghazade, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Refinement of the Phase Diagram of the Bi-Te System and the Thermodynamic Properties of Lower Bismuth Tellurides, JOM 73, 1511-1521 (2021).
cited as the source of values for this phase
doi:10.1107/s0567740879002788 K. Yamana, K. Kihara, T. Matsumoto, Bismuth tellurides: BiTe and Bi4Te3, Acta Crystallogr B Struct Sci 35, 147-149 (1979).
cited as the source of values for this phase

BI4TE3 (Bi–Te)

Id: phase:bi-te:bi4te3; status assigned
Structure: Bi4Se3 · hR7 · R-3m (166); type st:bi4se3-hr7; 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_oqmd, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Bi 0.5714, Te 0.4286
Stability: stable in 3 of 3 calculated diagram(s): 300–725.96 K, x(Te) 0.42857–0.42857
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:bi-te:bi4te3
paper: paper:10.1007/s11669-024-01093-z:Bi4Te3
tdb: tdb:BiTe-18Gie.tdb:BI4TE3, tdb:BiTe-18Mao.tdb:BI4TE3, tdb:BiTe-24Zho.tdb:BI4TE3

TDB models of BI4TE3 (3): PHASE and CONSTITUENT statements as written

BiTe-18Gie.tdb: BI4TE3, type code %, sha256 e62921a019778da4…

72: PHASE BI4TE3 % 2 4 3 !
73: CONST BI4TE3 : BI : TE : !

BiTe-18Mao.tdb: BI4TE3, type code %, sha256 48a482c6fa140bba…

64: PHASE BI4TE3 % 2 4 3 !
65: CONST BI4TE3 : BI : TE : !

BiTe-24Zho.tdb: BI4TE3, type code %, sha256 2cbb5fbf130932bd…

68: PHASE BI4TE3 % 2 4 3 !
69: CONST BI4TE3 : BI : TE : !

Example references (5 of 5; assessments first):

doi:10.1007/s11669-024-01093-z Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui, Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems, J. Phase Equilib. Diffus. 45, 89-113 (2024).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2017.11.007 C. Mao, M. Tan, L. Zhang, D. Wu, W. Bai, and L. Liu, Experimental Reinvestigation and Thermodynamic Description of Bi-Te Binary System, Calphad, 2018, 60, p 81–89.
assessment that models this phase
doi:10.1016/j.calphad.2018.08.005 W. Gierlotka, Calphad, 63, 6-11(2018).
assessment that models this phase
doi:10.1007/s11837-021-04621-1 Gunel S. Hasanova, Aytan I. Aghazade, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Refinement of the Phase Diagram of the Bi-Te System and the Thermodynamic Properties of Lower Bismuth Tellurides, JOM 73, 1511-1521 (2021).
cited as the source of values for this phase
doi:10.1107/s0567740879002788 K. Yamana, K. Kihara, T. Matsumoto, Bismuth tellurides: BiTe and Bi4Te3, Acta Crystallogr B Struct Sci 35, 147-149 (1979).
cited as the source of values for this phase

BI4TE5 (Bi–Te)

Id: phase:bi-te:bi4te5; status needs_review
No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_row_incomplete
Candidate (literature_printed): (Bi4Te5) · hP* — printed with a label mapped to this phase
Candidate (sgte_mmc2): (Bi4Te5) · P-3m1 (164) — Hallstedt 2025 mmc2 row for BI4TE5: Bi4Te5
Stoichiometry: Bi 0.4444, Te 0.5556
Stability: stable in 1 of 1 calculated diagram(s): 300–833.61 K, x(Te) 0.55556–0.55556
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:bi-te:bi4te5
paper: paper:10.1007/s11669-024-01093-z:Bi4Te5
tdb: tdb:BiTe-24Zho.tdb:BI4TE5

TDB models of BI4TE5 (1): PHASE and CONSTITUENT statements as written

BiTe-24Zho.tdb: BI4TE5, type code %, sha256 2cbb5fbf130932bd…

83: PHASE BI4TE5 % 2 4 5 !
84: CONST BI4TE5 : BI : TE : !

Example references (3 of 3; assessments first):

doi:10.1007/s11669-024-01093-z Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui, Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems, J. Phase Equilib. Diffus. 45, 89-113 (2024).
assessment that models this phase; reports values for this phase
doi:10.1007/s11837-021-04621-1 Gunel S. Hasanova, Aytan I. Aghazade, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Refinement of the Phase Diagram of the Bi-Te System and the Thermodynamic Properties of Lower Bismuth Tellurides, JOM 73, 1511-1521 (2021).
cited as the source of values for this phase
doi:10.1107/s0021889868005406 R. F. Brebrick, Characterization of phases in the 50–60 at. % Te region of the Bi–Te system by X-ray powder diffraction patterns, J Appl Crystallogr 1, 241-246 (1968).
cited as the source of values for this phase

BI7TE3 (Bi–Te)

Id: phase:bi-te:bi7te3; status assigned
Structure: Sb8Te3 · hR11 · R-3m (166); type st:sb8te3-hr11; 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: Bi 0.7000, Te 0.3000
Stability: stable in 2 of 2 calculated diagram(s): 300–604.83 K, x(Te) 0.3–0.3
Literature: 21 values (21 accepted) from 2 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:bi-te:bi7te3
paper: paper:10.1007/s11669-023-01049-9:Bi7Te3, paper:10.1007/s11669-024-01093-z:Bi7Te3
tdb: tdb:BiTe-23Drz.tdb:BI7TE3, tdb:BiTe-24Zho.tdb:BI7TE3

TDB models of BI7TE3 (2): PHASE and CONSTITUENT statements as written

BiTe-23Drz.tdb: BI7TE3, type code %, sha256 f0f0bd5a3c792778…

64: PHASE BI7TE3 % 2 7 3 !
65: CONST BI7TE3 : BI : TE : !

BiTe-24Zho.tdb: BI7TE3, type code %, sha256 2cbb5fbf130932bd…

58: PHASE BI7TE3 % 2 7 3 !
59: CONST BI7TE3 : BI : TE : !

Example references (6 of 6; assessments first):

doi:10.1007/s11669-023-01049-9 S. Drzewowska, B. Onderka, Different Approach to Thermodynamic Description of Bi-Te Binary System, J. Phase Equilib. Diffus. 44, 429-444 (2023).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1007/s11669-024-01093-z Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui, Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems, J. Phase Equilib. Diffus. 45, 89-113 (2024).
assessment that models this phase; reports values for this phase
doi:10.1007/s11837-021-04621-1 Gunel S. Hasanova, Aytan I. Aghazade, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Refinement of the Phase Diagram of the Bi-Te System and the Thermodynamic Properties of Lower Bismuth Tellurides, JOM 73, 1511-1521 (2021).
cited as the source of values for this phase
doi:10.1007/978-1-4899-6373-4 Nikolai Khrisanfovich Abrikosov, V. F. Bankina, L. V. Poretskaya, L. E. Shelimova, E. V. Skudnova, Semiconducting II–VI, IV–VI, and V–VI Compounds, (1969).
cited as the source of values for this phase
doi:10.1107/s0567740879002788 K. Yamana, K. Kihara, T. Matsumoto, Bismuth tellurides: BiTe and Bi4Te3, Acta Crystallogr B Struct Sci 35, 147-149 (1979).
cited as the source of values for this phase
doi:10.1149/1.2423400 A.C. Glatz, An Evaluation of the Bismuth-Tellurium Phase System, J. Electrochem. Soc., 1965, 112, p 1204–1207.
cited as the source of values for this phase

BI8TE9 (Bi–Te)

Id: phase:bi-te:bi8te9; status assigned
Structure: Bi8Se9 · hR17 · R-3m (166); type st:bi8se9-hr17; 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: Bi 0.4706, Te 0.5294
Stability: stable in 1 of 1 calculated diagram(s): 300–822.75 K, x(Te) 0.52941–0.52941
Literature: 7 values (7 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:bi-te:bi8te9
paper: paper:10.1007/s11669-024-01093-z:Bi8Te9
tdb: tdb:BiTe-24Zho.tdb:BI8TE9

TDB models of BI8TE9 (1): PHASE and CONSTITUENT statements as written

BiTe-24Zho.tdb: BI8TE9, type code %, sha256 2cbb5fbf130932bd…

78: PHASE BI8TE9 % 2 8 9 !
79: CONST BI8TE9 : BI : TE : !

Example references (3 of 3; assessments first):

doi:10.1007/s11669-024-01093-z Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui, Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems, J. Phase Equilib. Diffus. 45, 89-113 (2024).
assessment that models this phase; reports values for this phase
doi:10.1007/s11837-021-04621-1 Gunel S. Hasanova, Aytan I. Aghazade, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Refinement of the Phase Diagram of the Bi-Te System and the Thermodynamic Properties of Lower Bismuth Tellurides, JOM 73, 1511-1521 (2021).
cited as the source of values for this phase
doi:10.1016/0025-5408(93)90055-i Y. Feutelais, B. Legendre, N. Rodier, V. Agafonov, A study of the phases in the bismuth - tellurium system, Materials Research Bulletin 28, 591-596 (1993).
cited as the source of values for this phase

BITE (Bi–Te)

Id: phase:bi-te:bite; status needs_review
No structure assigned. Why: assessment_declared_compound_differs_from_site_ratios; no_structure_token; off_stoichiometric_model
Candidate (dft_mp): R-3m (166) — on-hull MP Bi4Te3 at x(TE)=0.4286
Candidate (dft_oqmd): P-3m1 (164) — on-hull OQMD Bi2 Te1 at x(TE)=0.3333
Candidate (literature_printed): BiSe · hP12 — printed with a label mapped to this phase
Candidate (sgte_mmc2): BiSe · hP12 · P-3m1 (164) — Hallstedt 2025 mmc2 row for BITE: BiTe
Candidate (tdb_comment): BiSe · hP12 · P-3m1 — BiTe-18Gie.tdb: 'Prototype BiSe (hP12, P-3m1), beta'
Candidate (tdb_comment): BiSe · hP12 · P-3m1 — BiTe-18Mao.tdb: 'Prototype BiSe (hP12, P-3m1), beta'
Candidate (tdb_comment): BiSe · hP12 · P-3m1 — BiTe-23Drz.tdb: 'Prototype BiSe (hP12, P-3m1), beta'
Candidate (tdb_comment): BiSe · hP12 · P-3m1 — BiTe-24Zho.tdb: 'Prototype BiSe (hP12, P-3m1)'
Stability: stable in 4 of 4 calculated diagram(s): 300–832.68 K, x(Te) 0.27635–0.56605
Literature: 25 values (25 accepted) from 2 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:bi-te:bite
paper: paper:10.1007/s11669-023-01049-9:BiTe, paper:10.1007/s11669-024-01093-z:BiTe
tdb: tdb:BiTe-18Gie.tdb:BITE, tdb:BiTe-18Mao.tdb:BITE, tdb:BiTe-23Drz.tdb:BITE, tdb:BiTe-24Zho.tdb:BITE

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

BiTe-18Gie.tdb: BITE, type code %, sha256 e62921a019778da4…

77: PHASE BITE % 2 2 3 !
78: CONST BITE : BI : BI TE% : !

BiTe-18Mao.tdb: BITE, type code %, sha256 48a482c6fa140bba…

69: PHASE BITE % 2 2 3 !
70: CONST BITE : BI : BI TE : !

BiTe-23Drz.tdb: BITE, type code %, sha256 f0f0bd5a3c792778…

74: PHASE BITE % 2 2 3 !
75: CONST BITE : BI : BI TE% : !

BiTe-24Zho.tdb: BITE, type code %, sha256 2cbb5fbf130932bd…

73: PHASE BITE % 2 1 1 !
74: CONST BITE : BI : TE : !

Example references (9 of 9; assessments first):

doi:10.1007/s11669-023-01049-9 S. Drzewowska, B. Onderka, Different Approach to Thermodynamic Description of Bi-Te Binary System, J. Phase Equilib. Diffus. 44, 429-444 (2023).
assessment that models this phase; reports values for this phase
doi:10.1007/s11669-024-01093-z Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui, Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems, J. Phase Equilib. Diffus. 45, 89-113 (2024).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2017.11.007 C. Mao, M. Tan, L. Zhang, D. Wu, W. Bai, and L. Liu, Experimental Reinvestigation and Thermodynamic Description of Bi-Te Binary System, Calphad, 2018, 60, p 81–89.
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/j.calphad.2018.08.005 W. Gierlotka, Calphad, 63, 6-11(2018).
assessment that models this phase
doi:10.1007/s11837-021-04621-1 Gunel S. Hasanova, Aytan I. Aghazade, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Refinement of the Phase Diagram of the Bi-Te System and the Thermodynamic Properties of Lower Bismuth Tellurides, JOM 73, 1511-1521 (2021).
cited as the source of values for this phase
doi:10.1007/978-1-4899-6373-4 Nikolai Khrisanfovich Abrikosov, V. F. Bankina, L. V. Poretskaya, L. E. Shelimova, E. V. Skudnova, Semiconducting II–VI, IV–VI, and V–VI Compounds, (1969).
cited as the source of values for this phase
doi:10.1107/s0567740879002788 K. Yamana, K. Kihara, T. Matsumoto, Bismuth tellurides: BiTe and Bi4Te3, Acta Crystallogr B Struct Sci 35, 147-149 (1979).
cited as the source of values for this phase
doi:10.1021/j100849a043 Robert F. Brebrick, Tellurium vapor pressure and optical density at 370-615.degree., J. Phys. Chem. 72, 1032-1036 (1968).
cited as the source of values for this phase
doi:10.1149/1.2423400 A.C. Glatz, An Evaluation of the Bismuth-Tellurium Phase System, J. Electrochem. Soc., 1965, 112, p 1204–1207.
cited as the source of values for this phase

FCC_A1 (Bi–Te)

Id: phase:bi-te:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; tier A: standard phase name; confidence high
Stoichiometry: Bi 1.0000
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:bi-te:fcc-a1
tdb: tdb:BiTe-18Gie.tdb:FCC_A1, tdb:BiTe-18Mao.tdb:FCC_A1, tdb:BiTe-23Drz.tdb:FCC_A1, tdb:BiTe-24Zho.tdb:FCC_A1

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

BiTe-18Gie.tdb: FCC_A1, type code %A, sha256 e62921a019778da4…

40: PHASE FCC_A1 %A 2 1 1 !
41: CONST FCC_A1 : BI : VA : !

BiTe-18Mao.tdb: FCC_A1, type code %A, sha256 48a482c6fa140bba…

32: PHASE FCC_A1 %A 2 1 1 !
33: CONST FCC_A1 : BI : VA : !

BiTe-23Drz.tdb: FCC_A1, type code %A, sha256 f0f0bd5a3c792778…

37: PHASE FCC_A1 %A 2 1 1 !
38: CONST FCC_A1 : BI : VA : !

BiTe-24Zho.tdb: FCC_A1, type code %A, sha256 2cbb5fbf130932bd…

31: PHASE FCC_A1 %A 2 1 1 !
32: CONST FCC_A1 : BI : VA : !

Example references (4 of 4; assessments first):

doi:10.1007/s11669-023-01049-9 S. Drzewowska, B. Onderka, Different Approach to Thermodynamic Description of Bi-Te Binary System, J. Phase Equilib. Diffus. 44, 429-444 (2023).
assessment that models this phase
doi:10.1007/s11669-024-01093-z Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui, Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems, J. Phase Equilib. Diffus. 45, 89-113 (2024).
assessment that models this phase
doi:10.1016/j.calphad.2017.11.007 C. Mao, M. Tan, L. Zhang, D. Wu, W. Bai, and L. Liu, Experimental Reinvestigation and Thermodynamic Description of Bi-Te Binary System, Calphad, 2018, 60, p 81–89.
assessment that models this phase
doi:10.1016/j.calphad.2018.08.005 W. Gierlotka, Calphad, 63, 6-11(2018).
assessment that models this phase

HCP_A3 (Bi–Te)

Id: phase:bi-te: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: Bi 1.0000
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:bi-te:hcp-a3
tdb: tdb:BiTe-18Gie.tdb:HCP_A3, tdb:BiTe-18Mao.tdb:HCP_A3, tdb:BiTe-23Drz.tdb:HCP_A3, tdb:BiTe-24Zho.tdb:HCP_A3

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

BiTe-18Gie.tdb: HCP_A3, type code %A, sha256 e62921a019778da4…

50: PHASE HCP_A3 %A 2 1 0.5 !
51: CONST HCP_A3 : BI : VA: !

BiTe-18Mao.tdb: HCP_A3, type code %A, sha256 48a482c6fa140bba…

42: PHASE HCP_A3 %A 2 1 0.5 !
43: CONST HCP_A3 : BI : VA: !

BiTe-23Drz.tdb: HCP_A3, type code %A, sha256 f0f0bd5a3c792778…

47: PHASE HCP_A3 %A 2 1 0.5 !
48: CONST HCP_A3 : BI : VA: !

BiTe-24Zho.tdb: HCP_A3, type code %A, sha256 2cbb5fbf130932bd…

41: PHASE HCP_A3 %A 2 1 0.5 !
42: CONST HCP_A3 : BI : VA: !

Example references (4 of 4; assessments first):

doi:10.1007/s11669-023-01049-9 S. Drzewowska, B. Onderka, Different Approach to Thermodynamic Description of Bi-Te Binary System, J. Phase Equilib. Diffus. 44, 429-444 (2023).
assessment that models this phase
doi:10.1007/s11669-024-01093-z Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui, Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems, J. Phase Equilib. Diffus. 45, 89-113 (2024).
assessment that models this phase
doi:10.1016/j.calphad.2017.11.007 C. Mao, M. Tan, L. Zhang, D. Wu, W. Bai, and L. Liu, Experimental Reinvestigation and Thermodynamic Description of Bi-Te Binary System, Calphad, 2018, 60, p 81–89.
assessment that models this phase
doi:10.1016/j.calphad.2018.08.005 W. Gierlotka, Calphad, 63, 6-11(2018).
assessment that models this phase

LIQUID (Bi–Te)

Id: phase:bi-te:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 4 of 4 calculated diagram(s): 536.46–2500 K, x(Te) 0–1
Literature: 54 values (54 accepted) from 2 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:bi-te:liquid
paper: paper:10.1007/s11669-023-01049-9:L, paper:10.1007/s11669-024-01093-z:Liquid
tdb: tdb:BiTe-18Gie.tdb:LIQUID, tdb:BiTe-18Mao.tdb:LIQUID, tdb:BiTe-23Drz.tdb:LIQUID, tdb:BiTe-24Zho.tdb:LIQUID

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

BiTe-18Gie.tdb: LIQUID, type code %, sha256 e62921a019778da4…

35: PHASE LIQUID:L % 1 1 !
36: CONST LIQUID:L : BI BI2TE3 TE : !

BiTe-18Mao.tdb: LIQUID, type code %, sha256 48a482c6fa140bba…

27: PHASE LIQUID:L % 1 1 !
28: CONST LIQUID:L : BI TE : !

BiTe-23Drz.tdb: LIQUID, type code %, sha256 f0f0bd5a3c792778…

32: PHASE LIQUID:L % 1 1 !
33: CONST LIQUID:L : BI BI2TE3 TE : !

BiTe-24Zho.tdb: LIQUID, type code %, sha256 2cbb5fbf130932bd…

26: PHASE LIQUID:L % 1 1 !
27: CONST LIQUID:L : BI BI2TE3 TE : !

Example references (9 of 9; assessments first):

doi:10.1007/s11669-023-01049-9 S. Drzewowska, B. Onderka, Different Approach to Thermodynamic Description of Bi-Te Binary System, J. Phase Equilib. Diffus. 44, 429-444 (2023).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1007/s11669-024-01093-z Jiaqiang Zhou, Jiong Wang, Biao Hu, Dongyu Cui, Thermodynamic Modeling of the Bi-Se and Bi-Te Binary Systems, J. Phase Equilib. Diffus. 45, 89-113 (2024).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2017.11.007 C. Mao, M. Tan, L. Zhang, D. Wu, W. Bai, and L. Liu, Experimental Reinvestigation and Thermodynamic Description of Bi-Te Binary System, Calphad, 2018, 60, p 81–89.
assessment that models this phase; cited as the source of values for this phase
doi:10.1016/j.calphad.2018.08.005 W. Gierlotka, Calphad, 63, 6-11(2018).
assessment that models this phase
doi:10.1007/s11837-021-04621-1 Gunel S. Hasanova, Aytan I. Aghazade, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Refinement of the Phase Diagram of the Bi-Te System and the Thermodynamic Properties of Lower Bismuth Tellurides, JOM 73, 1511-1521 (2021).
cited as the source of values for this phase
doi:10.1007/978-1-4899-6373-4 Nikolai Khrisanfovich Abrikosov, V. F. Bankina, L. V. Poretskaya, L. E. Shelimova, E. V. Skudnova, Semiconducting II–VI, IV–VI, and V–VI Compounds, (1969).
cited as the source of values for this phase
doi:10.1149/1.2423400 A.C. Glatz, An Evaluation of the Bismuth-Tellurium Phase System, J. Electrochem. Soc., 1965, 112, p 1204–1207.
cited as the source of values for this phase
doi:10.1107/s0567740879002788 K. Yamana, K. Kihara, T. Matsumoto, Bismuth tellurides: BiTe and Bi4Te3, Acta Crystallogr B Struct Sci 35, 147-149 (1979).
cited as the source of values for this phase
doi:10.1021/j100849a043 Robert F. Brebrick, Tellurium vapor pressure and optical density at 370-615.degree., J. Phys. Chem. 72, 1032-1036 (1968).
cited as the source of values for 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}
}