B–Zr phases

10 phases (tier A 5, tier C 3, liquid 1, needs_review 1); 9 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 · B–Zr system page · Markdown · field reference

Phases of the B–Zr system (10)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BETA_RHOMBO_B phase:b-zr:b-beta-rhombo		needs_review	stable in 5 of 5 calculated diagram(s): 300–3999.22 K, x(B) 0.97882–1	10	5
BCC_A2 phase:b-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 5 of 5 calculated diagram(s): 1138.77–3999.1 K, x(B) 0–0.01085	11	5
MB2_C32 phase:b-zr:c32-mb2	AlB2 · C32 · hP3 · P6/mmm (191)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 4 of 4 calculated diagram(s): 300–3517.94 K, x(B) 0.66637–0.6745	22	4
FCC_A1 phase:b-zr:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 5 calculated diagram(s)	0	5
HCP_A3 phase:b-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 5 of 5 calculated diagram(s): 300–2123.99 K, x(B) 0–0.01109	0	5
LIQUID phase:b-zr:liquid	liquid	liquid	stable in 5 of 5 calculated diagram(s): 1934.13–4000 K, x(B) 0–1	24	5
ZRB phase:b-zr:zrb	FeB · B27 · oP8 · Pnma (62)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 3 of 3 calculated diagram(s): 300–1523.36 K, x(B) 0.5–0.5	7	3
ZRB_B1 phase:b-zr:zrb-b1	NaCl · B1 · cF8 · Fm-3m (225)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 1 of 1 calculated diagram(s): 300–1521.96 K, x(B) 0.5–0.5	2	1
ZRB12_D2F phase:b-zr:zrb12-d2f	UB12 · D2_f · cF52 · Fm-3m (225)	tier A: standard phase name	stable in 5 of 5 calculated diagram(s): 1972.97–2363.33 K, x(B) 0.92308–0.92308	18	5
ZRB2_C32 phase:b-zr:zrb2-c32	AlB2 · C32 · hP3 · P6/mmm (191)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–3503.49 K, x(B) 0.66667–0.66667	10	1

BETA_RHOMBO_B (B–Zr)

Id: phase:b-zr:b-beta-rhombo; status needs_review
No structure assigned. Why: name_has_descriptive_tokens:RHOMBO; no_structure_token
Candidate (sgte_mmc2): beta-B · hR105 · R-3m (166) — Hallstedt 2025 mmc2 row for BETA_RHOMBO_B: beta-B
Candidate (tdb_comment): beta-B · hR105 · R-3m — ZrB-08Tok.tdb: 'Prototype beta-B (hR105, R-3m)'
Candidate (tdb_comment): beta-B · hR105 · R-3m — ZrB-09Che.tdb: 'Prototype beta-B (hR105, R-3m)'
Candidate (tdb_comment): beta-B · hR105 · R-3m — ZrB-11Cac.tdb: 'Prototype beta-B (hR105, R-3m)'
Candidate (tdb_comment): beta-B · hR105 · R-3m — ZrB-19Pan.tdb: 'Prototype beta-B (hR105, R-3m)'
Candidate (tdb_comment): beta-B · hR105 · R-3m — ZrB-98Dus-LB.tdb: 'Prototype beta-B (hR105, R-3m)'
Stability: stable in 5 of 5 calculated diagram(s): 300–3999.22 K, x(B) 0.97882–1
Literature: 10 values (10 accepted) from 3 papers
Interactive: phase registry entry

Names (11): corpus: corpus:phase:b-zr:b-beta-rhombo, corpus:phase:b-zr:beta-rhombo-b
paper: paper:10.1007/s11669-019-00728-w:(βB), paper:10.1007/s11669-019-00728-w:β-B, paper:10.1016/j.calphad.2011.10.003:B, paper:10.1016/j.jallcom.2008.01.061:β-B
tdb: tdb:ZrB-08Tok.tdb:BETA_RHOMBO_B, tdb:ZrB-09Che.tdb:BETA_RHOMBO_B, tdb:ZrB-11Cac.tdb:BETA_RHOMBO_B, tdb:ZrB-19Pan.tdb:BETA_RHOMBO_B, tdb:ZrB-98Dus-LB.tdb:BETA_RHOMBO_B

TDB models of BETA_RHOMBO_B (5): PHASE and CONSTITUENT statements as written

ZrB-08Tok.tdb: BETA_RHOMBO_B, type code %, sha256 242f40ef15d7797c…

50: PHASE BETA_RHOMBO_B % 1 1 !
51: CONST BETA_RHOMBO_B : B : !

ZrB-09Che.tdb: BETA_RHOMBO_B, type code %, sha256 8aa5d97abe833f81…

44: PHASE BETA_RHOMBO_B % 2 93 12 !
45: CONST BETA_RHOMBO_B : B : B% ZR : !

ZrB-11Cac.tdb: BETA_RHOMBO_B, type code %, sha256 17839f62b1d76015…

47: PHASE BETA_RHOMBO_B % 1 1 !
48: CONST BETA_RHOMBO_B : B : !

ZrB-19Pan.tdb: BETA_RHOMBO_B, type code %, sha256 4c066caf80ae004c…

53: PHASE BETA_RHOMBO_B % 2 93 12 !
54: CONST BETA_RHOMBO_B : B : B% ZR : !

ZrB-98Dus-LB.tdb: BETA_RHOMBO_B, type code %, sha256 c388186725057c68…

42: PHASE BETA_RHOMBO_B % 1 1 !
43: CONST BETA_RHOMBO_B : B : !

Example references (4 of 4; assessments first):

doi:10.1016/j.jallcom.2008.01.061 H.M. Chen, F. Zheng, H.S. Liu, L.B. Liu, Z.P. Jin, Thermodynamic assessment of B–Zr and Si–Zr binary systems, Journal of Alloys and Compounds 468, 209-216 (2009).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1007/s11669-019-00728-w Yafei Pan, Cong Zhang, Jiuxing Zhang, Lei Huang, Xinyu Yang, Yong Du et al., Thermodynamic Modeling of the B-Ti-Zr System Over the Whole Composition and Temperature Ranges, J. Phase Equilib. Diffus. 40, 364-374 (2019).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase; reports values for this phase
doi:10.2320/matertrans.MB200809 T. Tokunaga, K. Terashima, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 49, 2534-40(2008).
assessment that models this phase

BCC_A2 (B–Zr)

Id: phase:b-zr:bcc-a2; status assigned
Structure: W · A2 · cI2 · Im-3m (229); type st:a2-w-ci2; tier A: standard phase name; confidence high
Stability: stable in 5 of 5 calculated diagram(s): 1138.77–3999.1 K, x(B) 0–0.01085
Literature: 11 values (11 accepted) from 3 papers
Interactive: phase registry entry

Names (9): corpus: corpus:phase:b-zr:bcc-a2
paper: paper:10.1007/s11669-019-00728-w:(βZr), paper:10.1016/j.calphad.2011.10.003:bcc-Zr, paper:10.1016/j.jallcom.2008.01.061:bcc-Zr
tdb: tdb:ZrB-08Tok.tdb:BCC_A2, tdb:ZrB-09Che.tdb:BCC_A2, tdb:ZrB-11Cac.tdb:BCC_A2, tdb:ZrB-19Pan.tdb:BCC_A2, tdb:ZrB-98Dus-LB.tdb:BCC_A2

TDB models of BCC_A2 (5): PHASE and CONSTITUENT statements as written

ZrB-08Tok.tdb: BCC_A2, type code %B, sha256 242f40ef15d7797c…

40: PHASE BCC_A2 %B 2 1 3 !
41: CONST BCC_A2 : ZR% B : VA : !

ZrB-09Che.tdb: BCC_A2, type code %B, sha256 8aa5d97abe833f81…

34: PHASE BCC_A2 %B 2 1 3 !
35: CONST BCC_A2 : ZR : B VA% : !

ZrB-11Cac.tdb: BCC_A2, type code %B, sha256 17839f62b1d76015…

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

ZrB-19Pan.tdb: BCC_A2, type code %B, sha256 4c066caf80ae004c…

43: PHASE BCC_A2 %B 2 1 3 !
44: CONST BCC_A2 : ZR : B VA% : !

ZrB-98Dus-LB.tdb: BCC_A2, type code %B, sha256 c388186725057c68…

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

Example references (4 of 4; assessments first):

doi:10.1016/j.jallcom.2008.01.061 H.M. Chen, F. Zheng, H.S. Liu, L.B. Liu, Z.P. Jin, Thermodynamic assessment of B–Zr and Si–Zr binary systems, Journal of Alloys and Compounds 468, 209-216 (2009).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1007/s11669-019-00728-w Yafei Pan, Cong Zhang, Jiuxing Zhang, Lei Huang, Xinyu Yang, Yong Du et al., Thermodynamic Modeling of the B-Ti-Zr System Over the Whole Composition and Temperature Ranges, J. Phase Equilib. Diffus. 40, 364-374 (2019).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase; reports values for this phase
doi:10.2320/matertrans.MB200809 T. Tokunaga, K. Terashima, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 49, 2534-40(2008).
assessment that models this phase

MB2_C32 (B–Zr)

Id: phase:b-zr:c32-mb2; status assigned
Structure: AlB2 · C32 · hP3 · P6/mmm (191); type st:c32-alb2-hp3; 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 (unrecognised_name_tokens:MB2); structure as stated in the SGTE crystallographic table for this phase name and system
Stability: stable in 4 of 4 calculated diagram(s): 300–3517.94 K, x(B) 0.66637–0.6745
Literature: 22 values (22 accepted) from 3 papers
Interactive: phase registry entry

Names (9): corpus: corpus:phase:b-zr:c32-mb2, corpus:phase:b-zr:mb2-c32
paper: paper:10.1016/j.calphad.2011.10.003:ZrB2, paper:10.1016/j.jallcom.2008.01.061:ZrB2, paper:10.2320/matertrans.mb200809:ZrB2
tdb: tdb:ZrB-08Tok.tdb:MB2_C32, tdb:ZrB-09Che.tdb:MB2_C32, tdb:ZrB-11Cac.tdb:MB2_C32, tdb:ZrB-98Dus-LB.tdb:MB2_C32

TDB models of MB2_C32 (4): PHASE and CONSTITUENT statements as written

ZrB-08Tok.tdb: MB2_C32, type code %, sha256 242f40ef15d7797c…

60: PHASE MB2_C32 % 2 1 2 !
61: CONST MB2_C32 : VA ZR% : B% VA : !

ZrB-09Che.tdb: MB2_C32, type code %, sha256 8aa5d97abe833f81…

54: PHASE MB2_C32 % 2 1 2 !
55: CONST MB2_C32 : ZR : B : !

ZrB-11Cac.tdb: MB2_C32, type code %, sha256 17839f62b1d76015…

57: PHASE MB2_C32 % 2 1 2 !
58: CONST MB2_C32 : VA ZR% : B : !

ZrB-98Dus-LB.tdb: MB2_C32, type code %, sha256 c388186725057c68…

47: PHASE MB2_C32 % 2 1 2 !
48: CONST MB2_C32 : ZR : B : !

Example references (5 of 5; assessments first):

doi:10.1016/j.jallcom.2008.01.061 H.M. Chen, F. Zheng, H.S. Liu, L.B. Liu, Z.P. Jin, Thermodynamic assessment of B–Zr and Si–Zr binary systems, Journal of Alloys and Compounds 468, 209-216 (2009).
assessment that models this phase; reports values for this phase
doi:10.2320/matertrans.MB200809 T. Tokunaga, K. Terashima, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 49, 2534-40(2008).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase; reports values for this phase
doi:10.1021/j100792a052 Elmer J. Huber, Earl L. Head, Charles E. Holley, The Heats of Formation of Zirconium Diboride and Dioxide <sup>1</sup>, J. Phys. Chem. 68, 3040-3042 (1964).
cited as the source of values for this phase
doi:10.1021/je60032a044 Gerald K. Johnson, Elliott Greenberg, John L. Margrave, Ward N. Hubbard, Fluorine bomb calorimetry. Enthalpies of formation of the diborides of ziconium and hafnium, J. Chem. Eng. Data 12, 137-141 (1967).
cited as the source of values for this phase

FCC_A1 (B–Zr)

Id: phase:b-zr:fcc-a1; status assigned
Structure: Cu · A1 · cF4 · Fm-3m (225); type st:a1-cu-cf4; tier A: standard phase name; confidence high
Stability: not stable in 5 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:b-zr:fcc-a1
tdb: tdb:ZrB-08Tok.tdb:FCC_A1, tdb:ZrB-09Che.tdb:FCC_A1, tdb:ZrB-11Cac.tdb:FCC_A1, tdb:ZrB-19Pan.tdb:FCC_A1, tdb:ZrB-98Dus-LB.tdb:FCC_A1

TDB models of FCC_A1 (5): PHASE and CONSTITUENT statements as written

ZrB-08Tok.tdb: FCC_A1, type code %A, sha256 242f40ef15d7797c…

35: PHASE FCC_A1 %A 2 1 1 !
36: CONST FCC_A1 : ZR B : VA : !

ZrB-09Che.tdb: FCC_A1, type code %A, sha256 8aa5d97abe833f81…

29: PHASE FCC_A1 %A 2 1 1 !
30: CONST FCC_A1 : ZR : B VA% : !

ZrB-11Cac.tdb: FCC_A1, type code %A, sha256 17839f62b1d76015…

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

ZrB-19Pan.tdb: FCC_A1, type code %A, sha256 4c066caf80ae004c…

38: PHASE FCC_A1 %A 2 1 1 !
39: CONST FCC_A1 : ZR : B VA% : !

ZrB-98Dus-LB.tdb: FCC_A1, type code %A, sha256 c388186725057c68…

27: PHASE FCC_A1 %A 2 1 1 !
28: CONST FCC_A1 : ZR : B VA% : !

Example references (4 of 4; assessments first):

doi:10.1007/s11669-019-00728-w Yafei Pan, Cong Zhang, Jiuxing Zhang, Lei Huang, Xinyu Yang, Yong Du et al., Thermodynamic Modeling of the B-Ti-Zr System Over the Whole Composition and Temperature Ranges, J. Phase Equilib. Diffus. 40, 364-374 (2019).
assessment that models this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase
doi:10.1016/j.jallcom.2008.01.061 H.M. Chen, F. Zheng, H.S. Liu, L.B. Liu, Z.P. Jin, Thermodynamic assessment of B–Zr and Si–Zr binary systems, Journal of Alloys and Compounds 468, 209-216 (2009).
assessment that models this phase
doi:10.2320/matertrans.MB200809 T. Tokunaga, K. Terashima, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 49, 2534-40(2008).
assessment that models this phase

HCP_A3 (B–Zr)

Id: phase:b-zr:hcp-a3; status assigned
Structure: Mg · A3 · hP2 · P6_3/mmc (194); type st:a3-mg-hp2; tier A: standard phase name; confidence high
Stability: stable in 5 of 5 calculated diagram(s): 300–2123.99 K, x(B) 0–0.01109
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:b-zr:hcp-a3
tdb: tdb:ZrB-08Tok.tdb:HCP_A3, tdb:ZrB-09Che.tdb:HCP_A3, tdb:ZrB-11Cac.tdb:HCP_A3, tdb:ZrB-19Pan.tdb:HCP_A3, tdb:ZrB-98Dus-LB.tdb:HCP_A3

TDB models of HCP_A3 (5): PHASE and CONSTITUENT statements as written

ZrB-08Tok.tdb: HCP_A3, type code %A, sha256 242f40ef15d7797c…

45: PHASE HCP_A3 %A 2 1 0.5 !
46: CONST HCP_A3 : ZR% B : VA : !

ZrB-09Che.tdb: HCP_A3, type code %A, sha256 8aa5d97abe833f81…

39: PHASE HCP_A3 %A 2 1 0.5 !
40: CONST HCP_A3 : ZR : B VA% : !

ZrB-11Cac.tdb: HCP_A3, type code %A, sha256 17839f62b1d76015…

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

ZrB-19Pan.tdb: HCP_A3, type code %A, sha256 4c066caf80ae004c…

48: PHASE HCP_A3 %A 2 1 0.5 !
49: CONST HCP_A3 : ZR : B VA% : !

ZrB-98Dus-LB.tdb: HCP_A3, type code %A, sha256 c388186725057c68…

37: PHASE HCP_A3 %A 2 1 0.5 !
38: CONST HCP_A3 : ZR : B VA% : !

Example references (4 of 4; assessments first):

doi:10.1007/s11669-019-00728-w Yafei Pan, Cong Zhang, Jiuxing Zhang, Lei Huang, Xinyu Yang, Yong Du et al., Thermodynamic Modeling of the B-Ti-Zr System Over the Whole Composition and Temperature Ranges, J. Phase Equilib. Diffus. 40, 364-374 (2019).
assessment that models this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase
doi:10.1016/j.jallcom.2008.01.061 H.M. Chen, F. Zheng, H.S. Liu, L.B. Liu, Z.P. Jin, Thermodynamic assessment of B–Zr and Si–Zr binary systems, Journal of Alloys and Compounds 468, 209-216 (2009).
assessment that models this phase
doi:10.2320/matertrans.MB200809 T. Tokunaga, K. Terashima, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 49, 2534-40(2008).
assessment that models this phase

LIQUID (B–Zr)

Id: phase:b-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 5 of 5 calculated diagram(s): 1934.13–4000 K, x(B) 0–1
Literature: 24 values (24 accepted) from 3 papers
Interactive: phase registry entry

Names (9): corpus: corpus:phase:b-zr:liquid
paper: paper:10.1007/s11669-019-00728-w:L, paper:10.1016/j.calphad.2011.10.003:L, paper:10.1016/j.jallcom.2008.01.061:L
tdb: tdb:ZrB-08Tok.tdb:LIQUID, tdb:ZrB-09Che.tdb:LIQUID, tdb:ZrB-11Cac.tdb:LIQUID, tdb:ZrB-19Pan.tdb:LIQUID, tdb:ZrB-98Dus-LB.tdb:LIQUID

TDB models of LIQUID (5): PHASE and CONSTITUENT statements as written

ZrB-08Tok.tdb: LIQUID, type code %, sha256 242f40ef15d7797c…

30: PHASE LIQUID:L % 1 1 !
31: CONST LIQUID:L : B ZR : !

ZrB-09Che.tdb: LIQUID, type code %, sha256 8aa5d97abe833f81…

24: PHASE LIQUID:L % 1 1 !
25: CONST LIQUID:L : B ZR : !

ZrB-11Cac.tdb: LIQUID, type code %, sha256 17839f62b1d76015…

27: PHASE LIQUID:L % 1 1 !
28: CONST LIQUID:L : B ZR : !

ZrB-19Pan.tdb: LIQUID, type code %, sha256 4c066caf80ae004c…

33: PHASE LIQUID:L % 1 1 !
34: CONST LIQUID:L : B ZR : !

ZrB-98Dus-LB.tdb: LIQUID, type code %, sha256 c388186725057c68…

22: PHASE LIQUID:L % 1 1 !
23: CONST LIQUID:L : B ZR : !

Example references (4 of 4; assessments first):

doi:10.1016/j.jallcom.2008.01.061 H.M. Chen, F. Zheng, H.S. Liu, L.B. Liu, Z.P. Jin, Thermodynamic assessment of B–Zr and Si–Zr binary systems, Journal of Alloys and Compounds 468, 209-216 (2009).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1007/s11669-019-00728-w Yafei Pan, Cong Zhang, Jiuxing Zhang, Lei Huang, Xinyu Yang, Yong Du et al., Thermodynamic Modeling of the B-Ti-Zr System Over the Whole Composition and Temperature Ranges, J. Phase Equilib. Diffus. 40, 364-374 (2019).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase; reports values for this phase
doi:10.2320/matertrans.MB200809 T. Tokunaga, K. Terashima, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 49, 2534-40(2008).
assessment that models this phase

ZRB (B–Zr)

Id: phase:b-zr:zrb; status assigned
Structure: FeB · B27 · oP8 · Pnma (62); type st:b27-feb-op8; 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: B 0.5000, Zr 0.5000
Stability: stable in 3 of 3 calculated diagram(s): 300–1523.36 K, x(B) 0.5–0.5
Literature: 7 values (7 accepted) from 3 papers
Interactive: phase registry entry

Names (8): corpus: corpus:phase:b-zr:zrb
paper: paper:10.1007/s11669-019-00728-w:ZrB, paper:10.1016/j.calphad.2011.10.003:ZrB, paper:10.2320/matertrans.mb200809:ZrB(FeB-type), paper:10.2320/matertrans.mb200809:ZrB(NaCl-type)
tdb: tdb:ZrB-08Tok.tdb:ZRB, tdb:ZrB-11Cac.tdb:ZRB, tdb:ZrB-19Pan.tdb:ZRB

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

ZrB-08Tok.tdb: ZRB, type code %, sha256 242f40ef15d7797c…

55: PHASE ZRB % 2 1 1 !
56: CONST ZRB : ZR : B : !

ZrB-11Cac.tdb: ZRB, type code %, sha256 17839f62b1d76015…

52: PHASE ZRB % 2 1 1 !
53: CONST ZRB : ZR : B : !

ZrB-19Pan.tdb: ZRB, type code %, sha256 4c066caf80ae004c…

58: PHASE ZRB % 2 1 1 !
59: CONST ZRB : ZR : B : !

Example references (5 of 5; assessments first):

doi:10.2320/matertrans.MB200809 T. Tokunaga, K. Terashima, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 49, 2534-40(2008).
assessment that models this phase; reports values for this phase
doi:10.1007/s11669-019-00728-w Yafei Pan, Cong Zhang, Jiuxing Zhang, Lei Huang, Xinyu Yang, Yong Du et al., Thermodynamic Modeling of the B-Ti-Zr System Over the Whole Composition and Temperature Ranges, J. Phase Equilib. Diffus. 40, 364-374 (2019).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase; reports values for this phase
doi:10.1016/0364-5916(88)90021-1 P. Rogl and P. E. Potter: Calphad 12 (1988) 191–204.
cited as the source of values for this phase
doi:10.1016/j.jallcom.2008.01.061 H.M. Chen, F. Zheng, H.S. Liu, L.B. Liu, Z.P. Jin, Thermodynamic assessment of B–Zr and Si–Zr binary systems, Journal of Alloys and Compounds 468, 209-216 (2009).
cited as the source of values for this phase

ZRB_B1 (B–Zr)

Id: phase:b-zr:zrb-b1; status assigned
Structure: NaCl · B1 · cF8 · Fm-3m (225); type st:b1-nacl-cf8; 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_token_is_also_a_formula); structure as stated in the SGTE crystallographic table for this phase name and system
Stoichiometry: B 0.5000, Zr 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 300–1521.96 K, x(B) 0.5–0.5
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:b-zr:zrb-b1
paper: paper:10.1016/j.jallcom.2008.01.061:ZrB
tdb: tdb:ZrB-09Che.tdb:ZRB_B1

TDB models of ZRB_B1 (1): PHASE and CONSTITUENT statements as written

ZrB-09Che.tdb: ZRB_B1, type code %, sha256 8aa5d97abe833f81…

49: PHASE ZRB_B1 % 2 1 1 !
50: CONST ZRB_B1 : ZR : B : !

Example references (1 of 1; assessments first):

doi:10.1016/j.jallcom.2008.01.061 H.M. Chen, F. Zheng, H.S. Liu, L.B. Liu, Z.P. Jin, Thermodynamic assessment of B–Zr and Si–Zr binary systems, Journal of Alloys and Compounds 468, 209-216 (2009).
assessment that models this phase; reports values for this phase

ZRB12_D2F (B–Zr)

Id: phase:b-zr:zrb12-d2f; status assigned
Structure: UB12 · D2_f · cF52 · Fm-3m (225); type st:d2-f-ub12-cf52; tier A: standard phase name; confidence high
Stoichiometry: B 0.9231, Zr 0.0769
Stability: stable in 5 of 5 calculated diagram(s): 1972.97–2363.33 K, x(B) 0.92308–0.92308
Literature: 18 values (18 accepted) from 4 papers
Interactive: phase registry entry

Names (10): corpus: corpus:phase:b-zr:zrb12-d2f
paper: paper:10.1007/s11669-019-00728-w:ZrB12, paper:10.1016/j.calphad.2011.10.003:ZrB12, paper:10.1016/j.jallcom.2008.01.061:ZrB12, paper:10.2320/matertrans.mb200809:ZrB12
tdb: tdb:ZrB-08Tok.tdb:ZRB12_D2F, tdb:ZrB-09Che.tdb:ZRB12_D2F, tdb:ZrB-11Cac.tdb:ZRB12_D2F, tdb:ZrB-19Pan.tdb:ZRB12_D2F, tdb:ZrB-98Dus-LB.tdb:ZRB12_D2F

TDB models of ZRB12_D2F (5): PHASE and CONSTITUENT statements as written

ZrB-08Tok.tdb: ZRB12_D2F, type code %, sha256 242f40ef15d7797c…

65: PHASE ZRB12_D2F % 2 1 12 !
66: CONST ZRB12_D2F : ZR : B : !

ZrB-09Che.tdb: ZRB12_D2F, type code %, sha256 8aa5d97abe833f81…

59: PHASE ZRB12_D2F % 2 1 12 !
60: CONST ZRB12_D2F : ZR : B : !

ZrB-11Cac.tdb: ZRB12_D2F, type code %, sha256 17839f62b1d76015…

62: PHASE ZRB12_D2F % 2 1 12 !
63: CONST ZRB12_D2F : ZR : B : !

ZrB-19Pan.tdb: ZRB12_D2F, type code %, sha256 4c066caf80ae004c…

68: PHASE ZRB12_D2F % 2 1 12 !
69: CONST ZRB12_D2F : ZR : B : !

ZrB-98Dus-LB.tdb: ZRB12_D2F, type code %, sha256 c388186725057c68…

52: PHASE ZRB12_D2F % 2 1 12 !
53: CONST ZRB12_D2F : ZR : B : !

Example references (4 of 4; assessments first):

doi:10.1016/j.jallcom.2008.01.061 H.M. Chen, F. Zheng, H.S. Liu, L.B. Liu, Z.P. Jin, Thermodynamic assessment of B–Zr and Si–Zr binary systems, Journal of Alloys and Compounds 468, 209-216 (2009).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1007/s11669-019-00728-w Yafei Pan, Cong Zhang, Jiuxing Zhang, Lei Huang, Xinyu Yang, Yong Du et al., Thermodynamic Modeling of the B-Ti-Zr System Over the Whole Composition and Temperature Ranges, J. Phase Equilib. Diffus. 40, 364-374 (2019).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2011.10.003 G. Cacciamani, P. Riani, F. Valenza, Equilibrium between MB2 (M=Ti,Zr,Hf) UHTC and Ni: A thermodynamic database for the B–Hf–Ni–Ti–Zr system, Calphad 35, 601-619 (2011).
assessment that models this phase; reports values for this phase
doi:10.2320/matertrans.MB200809 T. Tokunaga, K. Terashima, H. Ohtani, M. Hasebe, Mater. Trans. JIM, 49, 2534-40(2008).
assessment that models this phase; reports values for this phase

ZRB2_C32 (B–Zr)

Id: phase:b-zr:zrb2-c32; status assigned
Structure: AlB2 · C32 · hP3 · P6/mmm (191); type st:c32-alb2-hp3; tier A: standard phase name; confidence high
Stoichiometry: B 0.6667, Zr 0.3333
Stability: stable in 1 of 1 calculated diagram(s): 300–3503.49 K, x(B) 0.66667–0.66667
Literature: 10 values (10 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:b-zr:zrb2-c32
paper: paper:10.1007/s11669-019-00728-w:ZrB2
tdb: tdb:ZrB-19Pan.tdb:ZRB2_C32

TDB models of ZRB2_C32 (1): PHASE and CONSTITUENT statements as written

ZrB-19Pan.tdb: ZRB2_C32, type code %, sha256 4c066caf80ae004c…

63: PHASE ZRB2_C32 % 2 1 2 !
64: CONST ZRB2_C32 : ZR : B : !

Example references (2 of 2; assessments first):

doi:10.1007/s11669-019-00728-w Yafei Pan, Cong Zhang, Jiuxing Zhang, Lei Huang, Xinyu Yang, Yong Du et al., Thermodynamic Modeling of the B-Ti-Zr System Over the Whole Composition and Temperature Ranges, J. Phase Equilib. Diffus. 40, 364-374 (2019).
assessment that models this phase; reports values for this phase
doi:10.1016/j.jallcom.2008.01.061 H.M. Chen, F. Zheng, H.S. Liu, L.B. Liu, Z.P. Jin, Thermodynamic assessment of B–Zr and Si–Zr binary systems, Journal of Alloys and Compounds 468, 209-216 (2009).
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}
}