Bi–Se phases

14 phases (tier A 6, tier C 6, liquid 1, needs_review 1); 11 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–Se system page · Markdown · field reference

Phases of the Bi–Se system (14)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
RHOMBOHEDRAL_A7 phase:bi-se: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(Se) 0–0	8	4
HEXAGONAL_A8 phase:bi-se:a8-hexagonal	gamma-Se · A8 · hP3 · P3_121 (152)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–494 K, x(Se) 1–1	4	4
BCC_A2 phase:bi-se:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	not stable in 4 calculated diagram(s)	0	4
BI2SE3_C33 phase:bi-se:bi2se3-c33	Bi2Te3 · C33 · hR5 · R-3m (166)	tier A: standard phase name	stable in 4 of 4 calculated diagram(s): 300–989.65 K, x(Se) 0.59944–0.6002	17	4
BI3SE2 phase:bi-se:bi3se2	(Bi3Se2) · hP12 · P-3m1 (164)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 3 of 3 calculated diagram(s): 300–746.02 K, x(Se) 0.4–0.4	18	3
BI3SE4 phase:bi-se:bi3se4	In3Te4 · hR7 · R-3m (166)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–935.36 K, x(Se) 0.57143–0.57143	11	1
BI4SE3 phase:bi-se:bi4se3	Bi4Se3 · hR7 · R-3m (166)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–830.56 K, x(Se) 0.42857–0.42857	11	1
BI4SE5 phase:bi-se:bi4se5		needs_review	stable in 1 of 1 calculated diagram(s): 300–895.32 K, x(Se) 0.55556–0.55556	0	1
BI8SE7 phase:bi-se:bi8se7	Bi8Se7 · hP45 · P-3m1 (164)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–855.48 K, x(Se) 0.46667–0.46667	11	1
BI8SE9 phase:bi-se:bi8se9	Bi8Se9 · hR17 · R-3m (166)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–884.69 K, x(Se) 0.52941–0.52941	10	1
BISE phase:bi-se:bise	BiSe · hP12 · P-3m1 (164)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 3 of 3 calculated diagram(s): 300–887.03 K, x(Se) 0.40604–0.56195	16	3
FCC_A1 phase:bi-se: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-se: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-se:liquid	liquid	liquid	stable in 4 of 4 calculated diagram(s): 494–2500 K, x(Se) 0–1	38	4

RHOMBOHEDRAL_A7 (Bi–Se)

Id: phase:bi-se: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(Se) 0–0
Literature: 8 values (8 accepted) from 2 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:bi-se:a7-rhombohedral, corpus:phase:bi-se:rhombohedral-a7
paper: paper:10.1007/s11669-024-01093-z:(Bi), paper:10.1016/j.jallcom.2014.08.001:rho
tdb: tdb:BiSe-14Che.tdb:RHOMBOHEDRAL_A7, tdb:BiSe-18Pet.tdb:RHOMBOHEDRAL_A7, tdb:BiSe-20Che.tdb:RHOMBOHEDRAL_A7, tdb:BiSe-24Zho.tdb:RHOMBOHEDRAL_A7

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

BiSe-14Che.tdb: RHOMBOHEDRAL_A7, type code %, sha256 0fcdd9b2c60c49ee…

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

BiSe-18Pet.tdb: RHOMBOHEDRAL_A7, type code %, sha256 786c91341c5c9003…

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

BiSe-20Che.tdb: RHOMBOHEDRAL_A7, type code %, sha256 3896c882c74c8447…

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

BiSe-24Zho.tdb: RHOMBOHEDRAL_A7, type code %, sha256 145dfc0591be3927…

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

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.jallcom.2014.08.001 Yang Chen, Yajun Liu, Maoyou Chu, Lijun Wang, Phase diagrams and thermodynamic descriptions for the Bi–Se and Zn–Se binary systems, Journal of Alloys and Compounds 617, 423-428 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2020.101744 S.-W. Chen, Y. Hutabalian, W. Gierlotka, C.-H. Wang, S.-T. Lu, Calphad, 68, 101744(2020).
assessment that models this phase
doi:10.1007/s10973-021-10975-0 Gunel S. Hasanova, Aytan I. Aghazade, Dunya M. Babanly, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Experimental study of the phase relations and thermodynamic properties of Bi-Se system, J Therm Anal Calorim 147, 6403-6414 (2022).
cited as the source of values for this phase
doi:10.1515/ijmr-1975-660607 B. Gather, and R. Blachnik, Tenary Systems Containing Chalcogenides. II. The Gold-Bismuth-Selenium System, Z. Metallkd., 1975, 66, p 356–359.
cited as the source of values for this phase

HEXAGONAL_A8 (Bi–Se)

Id: phase:bi-se: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: Se 1.0000
Stability: stable in 4 of 4 calculated diagram(s): 300–494 K, x(Se) 1–1
Literature: 4 values (4 accepted) from 2 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:bi-se:a8-hexagonal, corpus:phase:bi-se:hexagonal-a8
paper: paper:10.1007/s11669-024-01093-z:(Se), paper:10.1016/j.jallcom.2014.08.001:hex
tdb: tdb:BiSe-14Che.tdb:HEXAGONAL_A8, tdb:BiSe-18Pet.tdb:HEXAGONAL_A8, tdb:BiSe-20Che.tdb:HEXAGONAL_A8, tdb:BiSe-24Zho.tdb:HEXAGONAL_A8

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

BiSe-14Che.tdb: HEXAGONAL_A8, type code %, sha256 0fcdd9b2c60c49ee…

56: PHASE HEXAGONAL_A8 % 1 1 !
57: CONST HEXAGONAL_A8 : SE : !

BiSe-18Pet.tdb: HEXAGONAL_A8, type code %, sha256 786c91341c5c9003…

57: PHASE HEXAGONAL_A8 % 1 1 !
58: CONST HEXAGONAL_A8 : SE : !

BiSe-20Che.tdb: HEXAGONAL_A8, type code %, sha256 3896c882c74c8447…

57: PHASE HEXAGONAL_A8 % 1 1 !
58: CONST HEXAGONAL_A8 : SE : !

BiSe-24Zho.tdb: HEXAGONAL_A8, type code %, sha256 145dfc0591be3927…

56: PHASE HEXAGONAL_A8 % 1 1 !
57: CONST HEXAGONAL_A8 : SE : !

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:10.1016/j.jallcom.2014.08.001 Yang Chen, Yajun Liu, Maoyou Chu, Lijun Wang, Phase diagrams and thermodynamic descriptions for the Bi–Se and Zn–Se binary systems, Journal of Alloys and Compounds 617, 423-428 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2020.101744 S.-W. Chen, Y. Hutabalian, W. Gierlotka, C.-H. Wang, S.-T. Lu, Calphad, 68, 101744(2020).
assessment that models this phase

BCC_A2 (Bi–Se)

Id: phase:bi-se: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-se:bcc-a2
tdb: tdb:BiSe-14Che.tdb:BCC_A2, tdb:BiSe-18Pet.tdb:BCC_A2, tdb:BiSe-20Che.tdb:BCC_A2, tdb:BiSe-24Zho.tdb:BCC_A2

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

BiSe-14Che.tdb: BCC_A2, type code %B, sha256 0fcdd9b2c60c49ee…

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

BiSe-18Pet.tdb: BCC_A2, type code %B, sha256 786c91341c5c9003…

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

BiSe-20Che.tdb: BCC_A2, type code %B, sha256 3896c882c74c8447…

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

BiSe-24Zho.tdb: BCC_A2, type code %B, sha256 145dfc0591be3927…

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

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
doi:10.1016/j.calphad.2020.101744 S.-W. Chen, Y. Hutabalian, W. Gierlotka, C.-H. Wang, S.-T. Lu, Calphad, 68, 101744(2020).
assessment that models this phase
doi:10.1016/j.jallcom.2014.08.001 Yang Chen, Yajun Liu, Maoyou Chu, Lijun Wang, Phase diagrams and thermodynamic descriptions for the Bi–Se and Zn–Se binary systems, Journal of Alloys and Compounds 617, 423-428 (2014).
assessment that models this phase

BI2SE3_C33 (Bi–Se)

Id: phase:bi-se:bi2se3-c33; status assigned
Structure: Bi2Te3 · C33 · hR5 · R-3m (166); type st:c33-bi2te3-hr5; tier A: standard phase name; confidence high
Stability: stable in 4 of 4 calculated diagram(s): 300–989.65 K, x(Se) 0.59944–0.6002
Literature: 17 values (17 accepted) from 2 papers
Interactive: phase registry entry

Names (7): corpus: corpus:phase:bi-se:bi2se3-c33
paper: paper:10.1007/s11669-024-01093-z:Bi2Se3, paper:10.1016/j.jallcom.2014.08.001:Bi2Se3
tdb: tdb:BiSe-14Che.tdb:BI2SE3_C33, tdb:BiSe-18Pet.tdb:BI2SE3_C33, tdb:BiSe-20Che.tdb:BI2SE3_C33, tdb:BiSe-24Zho.tdb:BI2SE3_C33

TDB models of BI2SE3_C33 (4): PHASE and CONSTITUENT statements as written

BiSe-14Che.tdb: BI2SE3_C33, type code %, sha256 0fcdd9b2c60c49ee…

71: PHASE BI2SE3_C33 % 2 2 3 !
72: CONST BI2SE3_C33 : BI : SE : !

BiSe-18Pet.tdb: BI2SE3_C33, type code %, sha256 786c91341c5c9003…

72: PHASE BI2SE3_C33 % 2 2 3 !
73: CONST BI2SE3_C33 : BI% SE : SE% VA : !

BiSe-20Che.tdb: BI2SE3_C33, type code %, sha256 3896c882c74c8447…

67: PHASE BI2SE3_C33 % 2 2 3 !
68: CONST BI2SE3_C33 : BI : SE : !

BiSe-24Zho.tdb: BI2SE3_C33, type code %, sha256 145dfc0591be3927…

91: PHASE BI2SE3_C33 % 2 2 3 !
92: CONST BI2SE3_C33 : BI : SE : !

Example references (4 of 4; 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.jallcom.2014.08.001 Yang Chen, Yajun Liu, Maoyou Chu, Lijun Wang, Phase diagrams and thermodynamic descriptions for the Bi–Se and Zn–Se binary systems, Journal of Alloys and Compounds 617, 423-428 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2020.101744 S.-W. Chen, Y. Hutabalian, W. Gierlotka, C.-H. Wang, S.-T. Lu, Calphad, 68, 101744(2020).
assessment that models this phase
doi:10.1007/s10973-021-10975-0 Gunel S. Hasanova, Aytan I. Aghazade, Dunya M. Babanly, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Experimental study of the phase relations and thermodynamic properties of Bi-Se system, J Therm Anal Calorim 147, 6403-6414 (2022).
cited as the source of values for this phase

BI3SE2 (Bi–Se)

Id: phase:bi-se:bi3se2; status assigned
Structure: (Bi3Se2) · hP12 · P-3m1 (164); type st:bi3se2-hp12; 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 0.6000, Se 0.4000
Stability: stable in 3 of 3 calculated diagram(s): 300–746.02 K, x(Se) 0.4–0.4
Literature: 18 values (18 accepted) from 2 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:bi-se:bi3se2
paper: paper:10.1007/s11669-024-01093-z:Bi3Se2, paper:10.1016/j.jallcom.2014.08.001:Bi3Se2
tdb: tdb:BiSe-14Che.tdb:BI3SE2, tdb:BiSe-18Pet.tdb:BI3SE2, tdb:BiSe-24Zho.tdb:BI3SE2

TDB models of BI3SE2 (3): PHASE and CONSTITUENT statements as written

BiSe-14Che.tdb: BI3SE2, type code %, sha256 0fcdd9b2c60c49ee…

61: PHASE BI3SE2 % 2 3 2 !
62: CONST BI3SE2 : BI : SE : !

BiSe-18Pet.tdb: BI3SE2, type code %, sha256 786c91341c5c9003…

62: PHASE BI3SE2 % 2 3 2 !
63: CONST BI3SE2 : BI : SE : !

BiSe-24Zho.tdb: BI3SE2, type code %, sha256 145dfc0591be3927…

61: PHASE BI3SE2 % 2 3 2 !
62: CONST BI3SE2 : BI : SE : !

Example references (6 of 6; 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.jallcom.2014.08.001 Yang Chen, Yajun Liu, Maoyou Chu, Lijun Wang, Phase diagrams and thermodynamic descriptions for the Bi–Se and Zn–Se binary systems, Journal of Alloys and Compounds 617, 423-428 (2014).
assessment that models this phase; reports values for this phase
doi:10.1007/s10973-021-10975-0 Gunel S. Hasanova, Aytan I. Aghazade, Dunya M. Babanly, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Experimental study of the phase relations and thermodynamic properties of Bi-Se system, J Therm Anal Calorim 147, 6403-6414 (2022).
cited as the source of values for this phase
doi:10.1007/s11837-013-0755-4 James E. Saal, Scott Kirklin, Muratahan Aykol, Bryce Meredig, C. Wolverton, Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD), JOM 65, 1501-1509 (2013).
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:10.1515/ijmr-1975-660607 B. Gather, and R. Blachnik, Tenary Systems Containing Chalcogenides. II. The Gold-Bismuth-Selenium System, Z. Metallkd., 1975, 66, p 356–359.
cited as the source of values for this phase

BI3SE4 (Bi–Se)

Id: phase:bi-se:bi3se4; status assigned
Structure: In3Te4 · hR7 · R-3m (166); type st:in3te4-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_both, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Bi 0.4286, Se 0.5714
Stability: stable in 1 of 1 calculated diagram(s): 300–935.36 K, x(Se) 0.57143–0.57143
Literature: 11 values (11 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:bi-se:bi3se4
paper: paper:10.1007/s11669-024-01093-z:Bi3Se4
tdb: tdb:BiSe-24Zho.tdb:BI3SE4

TDB models of BI3SE4 (1): PHASE and CONSTITUENT statements as written

BiSe-24Zho.tdb: BI3SE4, type code %, sha256 145dfc0591be3927…

86: PHASE BI3SE4 % 2 3 4 !
87: CONST BI3SE4 : BI : SE : !

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:10.1007/s10973-021-10975-0 Gunel S. Hasanova, Aytan I. Aghazade, Dunya M. Babanly, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Experimental study of the phase relations and thermodynamic properties of Bi-Se system, J Therm Anal Calorim 147, 6403-6414 (2022).
cited as the source of values for this phase
doi:10.1007/s11837-013-0755-4 James E. Saal, Scott Kirklin, Muratahan Aykol, Bryce Meredig, C. Wolverton, Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD), JOM 65, 1501-1509 (2013).
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:10.1063/1.4812323 Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek et al., Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013).
cited as the source of values for this phase

BI4SE3 (Bi–Se)

Id: phase:bi-se:bi4se3; 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_both, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: Bi 0.5714, Se 0.4286
Stability: stable in 1 of 1 calculated diagram(s): 300–830.56 K, x(Se) 0.42857–0.42857
Literature: 11 values (11 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:bi-se:bi4se3
paper: paper:10.1007/s11669-024-01093-z:Bi4Se3
tdb: tdb:BiSe-24Zho.tdb:BI4SE3

TDB models of BI4SE3 (1): PHASE and CONSTITUENT statements as written

BiSe-24Zho.tdb: BI4SE3, type code %, sha256 145dfc0591be3927…

66: PHASE BI4SE3 % 2 4 3 !
67: CONST BI4SE3 : BI : SE : !

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:10.1007/s10973-021-10975-0 Gunel S. Hasanova, Aytan I. Aghazade, Dunya M. Babanly, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Experimental study of the phase relations and thermodynamic properties of Bi-Se system, J Therm Anal Calorim 147, 6403-6414 (2022).
cited as the source of values for this phase
doi:10.1007/s11837-013-0755-4 James E. Saal, Scott Kirklin, Muratahan Aykol, Bryce Meredig, C. Wolverton, Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD), JOM 65, 1501-1509 (2013).
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:10.1063/1.4812323 Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek et al., Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013).
cited as the source of values for this phase

BI4SE5 (Bi–Se)

Id: phase:bi-se:bi4se5; status needs_review
No structure assigned. Why: no_on_hull_entry_in_both; no_structure_token; sgte_mmc2_row_incomplete
Candidate (sgte_mmc2): (Bi4Se5) — Hallstedt 2025 mmc2 row for BI4SE5: Bi4Se5
Stoichiometry: Bi 0.4444, Se 0.5556
Stability: stable in 1 of 1 calculated diagram(s): 300–895.32 K, x(Se) 0.55556–0.55556
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (2): corpus: corpus:phase:bi-se:bi4se5
tdb: tdb:BiSe-18Pet.tdb:BI4SE5

TDB models of BI4SE5 (1): PHASE and CONSTITUENT statements as written

BiSe-18Pet.tdb: BI4SE5, type code %, sha256 786c91341c5c9003…

67: PHASE BI4SE5 % 2 4 5 !
68: CONST BI4SE5 : BI : SE : !

BI8SE7 (Bi–Se)

Id: phase:bi-se:bi8se7; status assigned
Structure: Bi8Se7 · hP45 · P-3m1 (164); type st:bi8se7-hp45; 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 0.5333, Se 0.4667
Stability: stable in 1 of 1 calculated diagram(s): 300–855.48 K, x(Se) 0.46667–0.46667
Literature: 11 values (11 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:bi-se:bi8se7
paper: paper:10.1007/s11669-024-01093-z:Bi8Se7
tdb: tdb:BiSe-24Zho.tdb:BI8SE7

TDB models of BI8SE7 (1): PHASE and CONSTITUENT statements as written

BiSe-24Zho.tdb: BI8SE7, type code %, sha256 145dfc0591be3927…

71: PHASE BI8SE7 % 2 8 7 !
72: CONST BI8SE7 : BI : SE : !

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:10.1007/s10973-021-10975-0 Gunel S. Hasanova, Aytan I. Aghazade, Dunya M. Babanly, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Experimental study of the phase relations and thermodynamic properties of Bi-Se system, J Therm Anal Calorim 147, 6403-6414 (2022).
cited as the source of values for this phase
doi:10.1007/s11837-013-0755-4 James E. Saal, Scott Kirklin, Muratahan Aykol, Bryce Meredig, C. Wolverton, Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD), JOM 65, 1501-1509 (2013).
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:10.1063/1.4812323 Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek et al., Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013).
cited as the source of values for this phase

BI8SE9 (Bi–Se)

Id: phase:bi-se:bi8se9; 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, Se 0.5294
Stability: stable in 1 of 1 calculated diagram(s): 300–884.69 K, x(Se) 0.52941–0.52941
Literature: 10 values (10 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:bi-se:bi8se9
paper: paper:10.1007/s11669-024-01093-z:Bi8Se9
tdb: tdb:BiSe-24Zho.tdb:BI8SE9

TDB models of BI8SE9 (1): PHASE and CONSTITUENT statements as written

BiSe-24Zho.tdb: BI8SE9, type code %, sha256 145dfc0591be3927…

81: PHASE BI8SE9 % 2 8 9 !
82: CONST BI8SE9 : BI : SE : !

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:10.1007/s10973-021-10975-0 Gunel S. Hasanova, Aytan I. Aghazade, Dunya M. Babanly, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Experimental study of the phase relations and thermodynamic properties of Bi-Se system, J Therm Anal Calorim 147, 6403-6414 (2022).
cited as the source of values for this phase
doi:10.1007/s11837-013-0755-4 James E. Saal, Scott Kirklin, Muratahan Aykol, Bryce Meredig, C. Wolverton, Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD), JOM 65, 1501-1509 (2013).
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:10.1063/1.4812323 Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek et al., Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013).
cited as the source of values for this phase

BISE (Bi–Se)

Id: phase:bi-se:bise; status assigned
Structure: BiSe · hP12 · P-3m1 (164); type st:bise-hp12; 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 3 of 3 calculated diagram(s): 300–887.03 K, x(Se) 0.40604–0.56195
Literature: 16 values (16 accepted) from 2 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:bi-se:bise
paper: paper:10.1007/s11669-024-01093-z:BiSe, paper:10.1016/j.jallcom.2014.08.001:BiSe
tdb: tdb:BiSe-14Che.tdb:BISE, tdb:BiSe-20Che.tdb:BISE, tdb:BiSe-24Zho.tdb:BISE

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

BiSe-14Che.tdb: BISE, type code %, sha256 0fcdd9b2c60c49ee…

66: PHASE BISE % 3 2 1 2 !
67: CONST BISE : BI : BI SE : SE : !

BiSe-20Che.tdb: BISE, type code %, sha256 3896c882c74c8447…

62: PHASE BISE % 3 2 1 2 !
63: CONST BISE : BI : BI SE : SE : !

BiSe-24Zho.tdb: BISE, type code %, sha256 145dfc0591be3927…

76: PHASE BISE % 2 1 1 !
77: CONST BISE : BI : SE : !

Example references (7 of 7; 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.jallcom.2014.08.001 Yang Chen, Yajun Liu, Maoyou Chu, Lijun Wang, Phase diagrams and thermodynamic descriptions for the Bi–Se and Zn–Se binary systems, Journal of Alloys and Compounds 617, 423-428 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2020.101744 S.-W. Chen, Y. Hutabalian, W. Gierlotka, C.-H. Wang, S.-T. Lu, Calphad, 68, 101744(2020).
assessment that models this phase
doi:10.1007/s10973-021-10975-0 Gunel S. Hasanova, Aytan I. Aghazade, Dunya M. Babanly, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Experimental study of the phase relations and thermodynamic properties of Bi-Se system, J Therm Anal Calorim 147, 6403-6414 (2022).
cited as the source of values for this phase
doi:10.1007/s11837-013-0755-4 James E. Saal, Scott Kirklin, Muratahan Aykol, Bryce Meredig, C. Wolverton, Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD), JOM 65, 1501-1509 (2013).
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:10.1063/1.4812323 Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek et al., Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1 (2013).
cited as the source of values for this phase

FCC_A1 (Bi–Se)

Id: phase:bi-se: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-se:fcc-a1
tdb: tdb:BiSe-14Che.tdb:FCC_A1, tdb:BiSe-18Pet.tdb:FCC_A1, tdb:BiSe-20Che.tdb:FCC_A1, tdb:BiSe-24Zho.tdb:FCC_A1

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

BiSe-14Che.tdb: FCC_A1, type code %A, sha256 0fcdd9b2c60c49ee…

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

BiSe-18Pet.tdb: FCC_A1, type code %A, sha256 786c91341c5c9003…

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

BiSe-20Che.tdb: FCC_A1, type code %A, sha256 3896c882c74c8447…

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

BiSe-24Zho.tdb: FCC_A1, type code %A, sha256 145dfc0591be3927…

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

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
doi:10.1016/j.calphad.2020.101744 S.-W. Chen, Y. Hutabalian, W. Gierlotka, C.-H. Wang, S.-T. Lu, Calphad, 68, 101744(2020).
assessment that models this phase
doi:10.1016/j.jallcom.2014.08.001 Yang Chen, Yajun Liu, Maoyou Chu, Lijun Wang, Phase diagrams and thermodynamic descriptions for the Bi–Se and Zn–Se binary systems, Journal of Alloys and Compounds 617, 423-428 (2014).
assessment that models this phase

HCP_A3 (Bi–Se)

Id: phase:bi-se: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-se:hcp-a3
tdb: tdb:BiSe-14Che.tdb:HCP_A3, tdb:BiSe-18Pet.tdb:HCP_A3, tdb:BiSe-20Che.tdb:HCP_A3, tdb:BiSe-24Zho.tdb:HCP_A3

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

BiSe-14Che.tdb: HCP_A3, type code %A, sha256 0fcdd9b2c60c49ee…

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

BiSe-18Pet.tdb: HCP_A3, type code %A, sha256 786c91341c5c9003…

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

BiSe-20Che.tdb: HCP_A3, type code %A, sha256 3896c882c74c8447…

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

BiSe-24Zho.tdb: HCP_A3, type code %A, sha256 145dfc0591be3927…

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

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
doi:10.1016/j.calphad.2020.101744 S.-W. Chen, Y. Hutabalian, W. Gierlotka, C.-H. Wang, S.-T. Lu, Calphad, 68, 101744(2020).
assessment that models this phase
doi:10.1016/j.jallcom.2014.08.001 Yang Chen, Yajun Liu, Maoyou Chu, Lijun Wang, Phase diagrams and thermodynamic descriptions for the Bi–Se and Zn–Se binary systems, Journal of Alloys and Compounds 617, 423-428 (2014).
assessment that models this phase

LIQUID (Bi–Se)

Id: phase:bi-se:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 4 of 4 calculated diagram(s): 494–2500 K, x(Se) 0–1
Literature: 38 values (38 accepted) from 2 papers
Interactive: phase registry entry

Names (9): corpus: corpus:phase:bi-se:liquid, corpus:phase:bi-se:liquid-2
paper: paper:10.1007/s11669-024-01093-z:Liquid#1, paper:10.1007/s11669-024-01093-z:Liquid#2, paper:10.1016/j.jallcom.2014.08.001:Liq
tdb: tdb:BiSe-14Che.tdb:LIQUID, tdb:BiSe-18Pet.tdb:LIQUID, tdb:BiSe-20Che.tdb:LIQUID, tdb:BiSe-24Zho.tdb:LIQUID

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

BiSe-14Che.tdb: LIQUID, type code %, sha256 0fcdd9b2c60c49ee…

31: PHASE LIQUID:L % 1 1 !
32: CONST LIQUID:L : BI BI2SE3 SE : !

BiSe-18Pet.tdb: LIQUID, type code %, sha256 786c91341c5c9003…

32: PHASE LIQUID:L % 1 1 !
33: CONST LIQUID:L : BI BI2SE3 SE : !

BiSe-20Che.tdb: LIQUID, type code %, sha256 3896c882c74c8447…

32: PHASE LIQUID:L % 1 1 !
33: CONST LIQUID:L : BI BI2SE3 SE : !

BiSe-24Zho.tdb: LIQUID, type code %, sha256 145dfc0591be3927…

31: PHASE LIQUID:L % 1 1 !
32: CONST LIQUID:L : BI BI2SE3 SE : !

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.jallcom.2014.08.001 Yang Chen, Yajun Liu, Maoyou Chu, Lijun Wang, Phase diagrams and thermodynamic descriptions for the Bi–Se and Zn–Se binary systems, Journal of Alloys and Compounds 617, 423-428 (2014).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2020.101744 S.-W. Chen, Y. Hutabalian, W. Gierlotka, C.-H. Wang, S.-T. Lu, Calphad, 68, 101744(2020).
assessment that models this phase
doi:10.1007/s10973-021-10975-0 Gunel S. Hasanova, Aytan I. Aghazade, Dunya M. Babanly, Samira Z. Imamaliyeva, Yusif A. Yusibov, Mahammad B. Babanly, Experimental study of the phase relations and thermodynamic properties of Bi-Se system, J Therm Anal Calorim 147, 6403-6414 (2022).
cited as the source of values for this phase
doi:10.1515/ijmr-1975-660607 B. Gather, and R. Blachnik, Tenary Systems Containing Chalcogenides. II. The Gold-Bismuth-Selenium System, Z. Metallkd., 1975, 66, p 356–359.
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}
}