Si–Zr phases

16 phases (tier A 10, tier C 1, liquid 1, needs_review 4); 15 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 · Si–Zr system page · Markdown · field reference

Phases of the Si–Zr system (16)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
DIAMOND_A4 phase:si-zr:a4-diamond	C (diamond) · A4 · cF8 · Fd-3m (227)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–1703.69 K, x(Zr) 0–0	2	2
BCC_A2 phase:si-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 1139–3999.24 K, x(Zr) 1–1	4	2
FCC_A1 phase:si-zr:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	not stable in 2 calculated diagram(s)	0	2
HCP_A3 phase:si-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–1139 K, x(Zr) 1–1	2	2
LIQUID phase:si-zr:liquid	liquid	liquid	stable in 2 of 2 calculated diagram(s): 1618.69–4000 K, x(Zr) 0–1	19	2
SI2ZR_C49 phase:si-zr:si2zr-c49	ZrSi2 · C49 · oC12 · Cmcm (63)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–1900.29 K, x(Zr) 0.33333–0.33333	4	2
SI2ZR3_D5A phase:si-zr:si2zr3-d5a	Si2U3 · D5_a · tP10 · P4/mbm (127)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–2491.54 K, x(Zr) 0.6–0.6	6	2
SI3ZR5_D88 phase:si-zr:si3zr5-d88	Mn5Si3 · D8_8 · hP16 · P6_3/mcm (193)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 2018.89–2455.39 K, x(Zr) 0.625–0.625	6	2
SI4ZR5 phase:si-zr:si4zr5		needs_review	stable in 1 of 1 calculated diagram(s): 300–2527.23 K, x(Zr) 0.55556–0.55556	4	1
SI4ZR5_ALPHA phase:si-zr:si4zr5-alpha		needs_review	stable in 1 of 1 calculated diagram(s): 300–2131.3 K, x(Zr) 0.55556–0.55556	2	1
SI4ZR5_BETA phase:si-zr:si4zr5-beta		needs_review	stable in 1 of 1 calculated diagram(s): 2131.3–2524.63 K, x(Zr) 0.55556–0.55556	8	1
SIZR phase:si-zr:sizr		needs_review	stable in 1 of 1 calculated diagram(s): 300–2476.99 K, x(Zr) 0.5–0.5	8	1
SIZR_B27 phase:si-zr:sizr-b27	FeB · B27 · oP8 · Pnma (62)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 1730.72–2480.67 K, x(Zr) 0.5–0.5	6	1
SIZR_B33 phase:si-zr:sizr-b33	CrB · B33 · oC8 · Cmcm (63)	tier A: standard phase name	stable in 1 of 1 calculated diagram(s): 300–1730.72 K, x(Zr) 0.5–0.5	2	1
SIZR2_C16 phase:si-zr:sizr2-c16	Al2Cu · C16 · tI12 · I4/mcm (140)	tier A: standard phase name	stable in 2 of 2 calculated diagram(s): 300–2200.15 K, x(Zr) 0.66667–0.66667	6	2
SIZR3 phase:si-zr:sizr3	Ti3P · tP32 · P4_2/n (86)	tier C: assessor-stated (Hallstedt 2025 crystallographic table)	stable in 2 of 2 calculated diagram(s): 300–1927.47 K, x(Zr) 0.75–0.75	10	2

DIAMOND_A4 (Si–Zr)

Id: phase:si-zr:a4-diamond; status assigned
Structure: C (diamond) · A4 · cF8 · Fd-3m (227); type st:a4-c-diamond-cf8; tier A: standard phase name; confidence high
Stoichiometry: Si 1.0000
Stability: stable in 2 of 2 calculated diagram(s): 300–1703.69 K, x(Zr) 0–0
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:si-zr:a4-diamond, corpus:phase:si-zr:diamond-a4
paper: paper:10.1016/j.jallcom.2008.01.061:Si
tdb: tdb:SiZr-09Che.tdb:DIAMOND_A4, tdb:SiZr-94Gue-LB.tdb:DIAMOND_A4

TDB models of DIAMOND_A4 (2): PHASE and CONSTITUENT statements as written

SiZr-09Che.tdb: DIAMOND_A4, type code %, sha256 e921a43da80c0a49…

42: PHASE DIAMOND_A4 % 1 1 !
43: CONST DIAMOND_A4 : SI : !

SiZr-94Gue-LB.tdb: DIAMOND_A4, type code %, sha256 92268ff222aab9da…

42: PHASE DIAMOND_A4 % 1 1 !
43: CONST DIAMOND_A4 : SI : !

Example references (3 of 3; 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:10.1016/0364-5916(94)90036-1 C. Gueneau, C. Servant, I. Ansara, N. Dupin, Thermodynamic assessment of the SiZr system, Calphad 18, 319-327 (1994).
assessment that models this phase
doi:10.1007/bf02898272 H. Okamoto, The Si-Zr (Silicon-Zirconium) system, Bulletin of Alloy Phase Diagrams 11, 513-519 (1990).
cited as the source of values for this phase

BCC_A2 (Si–Zr)

Id: phase:si-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 2 of 2 calculated diagram(s): 1139–3999.24 K, x(Zr) 1–1
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:si-zr:bcc-a2
paper: paper:10.1016/j.jallcom.2008.01.061:Bcc-Zr, paper:10.1016/j.jallcom.2008.01.061:bcc-Zr
tdb: tdb:SiZr-09Che.tdb:BCC_A2, tdb:SiZr-94Gue-LB.tdb:BCC_A2

TDB models of BCC_A2 (2): PHASE and CONSTITUENT statements as written

SiZr-09Che.tdb: BCC_A2, type code %B, sha256 e921a43da80c0a49…

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

SiZr-94Gue-LB.tdb: BCC_A2, type code %B, sha256 92268ff222aab9da…

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

Example references (2 of 2; 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:10.1016/0364-5916(94)90036-1 C. Gueneau, C. Servant, I. Ansara, N. Dupin, Thermodynamic assessment of the SiZr system, Calphad 18, 319-327 (1994).
assessment that models this phase

FCC_A1 (Si–Zr)

Id: phase:si-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 2 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:si-zr:fcc-a1
tdb: tdb:SiZr-09Che.tdb:FCC_A1, tdb:SiZr-94Gue-LB.tdb:FCC_A1

TDB models of FCC_A1 (2): PHASE and CONSTITUENT statements as written

SiZr-09Che.tdb: FCC_A1, type code %A, sha256 e921a43da80c0a49…

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

SiZr-94Gue-LB.tdb: FCC_A1, type code %A, sha256 92268ff222aab9da…

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

Example references (2 of 2; assessments first):

doi:10.1016/0364-5916(94)90036-1 C. Gueneau, C. Servant, I. Ansara, N. Dupin, Thermodynamic assessment of the SiZr system, Calphad 18, 319-327 (1994).
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

HCP_A3 (Si–Zr)

Id: phase:si-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 2 of 2 calculated diagram(s): 300–1139 K, x(Zr) 1–1
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:si-zr:hcp-a3
paper: paper:10.1016/j.jallcom.2008.01.061:hcp-Zr
tdb: tdb:SiZr-09Che.tdb:HCP_A3, tdb:SiZr-94Gue-LB.tdb:HCP_A3

TDB models of HCP_A3 (2): PHASE and CONSTITUENT statements as written

SiZr-09Che.tdb: HCP_A3, type code %A, sha256 e921a43da80c0a49…

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

SiZr-94Gue-LB.tdb: HCP_A3, type code %A, sha256 92268ff222aab9da…

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

Example references (2 of 2; 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:10.1016/0364-5916(94)90036-1 C. Gueneau, C. Servant, I. Ansara, N. Dupin, Thermodynamic assessment of the SiZr system, Calphad 18, 319-327 (1994).
assessment that models this phase

LIQUID (Si–Zr)

Id: phase:si-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 2 of 2 calculated diagram(s): 1618.69–4000 K, x(Zr) 0–1
Literature: 19 values (19 accepted) from 2 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:si-zr:liquid
paper: paper:10.1016/j.jallcom.2008.01.061:L, paper:sha256-85fd53a1a176b694:L
tdb: tdb:SiZr-09Che.tdb:LIQUID, tdb:SiZr-94Gue-LB.tdb:LIQUID

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

SiZr-09Che.tdb: LIQUID, type code %, sha256 e921a43da80c0a49…

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

SiZr-94Gue-LB.tdb: LIQUID, type code %, sha256 92268ff222aab9da…

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

Example references (3 of 3; 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:10.1016/0364-5916(94)90036-1 C. Gueneau, C. Servant, I. Ansara, N. Dupin, Thermodynamic assessment of the SiZr system, Calphad 18, 319-327 (1994).
assessment that models this phase
doi:10.1007/bf02898272 H. Okamoto, The Si-Zr (Silicon-Zirconium) system, Bulletin of Alloy Phase Diagrams 11, 513-519 (1990).
cited as the source of values for this phase

SI2ZR_C49 (Si–Zr)

Id: phase:si-zr:si2zr-c49; status assigned
Structure: ZrSi2 · C49 · oC12 · Cmcm (63); type st:c49-zrsi2-oc12; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaacgh and oqmd-3570, space group 63
Stoichiometry: Si 0.6667, Zr 0.3333
Stability: stable in 2 of 2 calculated diagram(s): 300–1900.29 K, x(Zr) 0.33333–0.33333
Literature: 4 values (4 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:si-zr:si2zr-c49
mp: mp:mp-aaaaacgh
oqmd: oqmd:oqmd-3570
paper: paper:10.1016/j.jallcom.2008.01.061:Si2Zr
tdb: tdb:SiZr-09Che.tdb:SI2ZR_C49, tdb:SiZr-94Gue-LB.tdb:SI2ZR_C49

TDB models of SI2ZR_C49 (2): PHASE and CONSTITUENT statements as written

SiZr-09Che.tdb: SI2ZR_C49, type code %, sha256 e921a43da80c0a49…

47: PHASE SI2ZR_C49 % 2 2 1 !
48: CONST SI2ZR_C49 : SI : ZR : !

SiZr-94Gue-LB.tdb: SI2ZR_C49, type code %, sha256 92268ff222aab9da…

47: PHASE SI2ZR_C49 % 2 2 1 !
48: CONST SI2ZR_C49 : SI : ZR : !

Example references (3 of 3; 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:10.1016/0364-5916(94)90036-1 C. Gueneau, C. Servant, I. Ansara, N. Dupin, Thermodynamic assessment of the SiZr system, Calphad 18, 319-327 (1994).
assessment that models this phase
doi:10.1007/bf02898272 H. Okamoto, The Si-Zr (Silicon-Zirconium) system, Bulletin of Alloy Phase Diagrams 11, 513-519 (1990).
cited as the source of values for this phase

SI2ZR3_D5A (Si–Zr)

Id: phase:si-zr:si2zr3-d5a; status assigned
Structure: Si2U3 · D5_a · tP10 · P4/mbm (127); type st:d5-a-si2u3-tp10; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaacqroa and oqmd-1364772, space group 127
Stoichiometry: Si 0.4000, Zr 0.6000
Stability: stable in 2 of 2 calculated diagram(s): 300–2491.54 K, x(Zr) 0.6–0.6
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:si-zr:si2zr3-d5a
mp: mp:mp-aaacqroa
oqmd: oqmd:oqmd-1364772
paper: paper:10.1016/j.jallcom.2008.01.061:Si2Zr3
tdb: tdb:SiZr-09Che.tdb:SI2ZR3_D5A, tdb:SiZr-94Gue-LB.tdb:SI2ZR3_D5A

TDB models of SI2ZR3_D5A (2): PHASE and CONSTITUENT statements as written

SiZr-09Che.tdb: SI2ZR3_D5A, type code %, sha256 e921a43da80c0a49…

72: PHASE SI2ZR3_D5A % 2 2 3 !
73: CONST SI2ZR3_D5A : SI : ZR : !

SiZr-94Gue-LB.tdb: SI2ZR3_D5A, type code %, sha256 92268ff222aab9da…

64: PHASE SI2ZR3_D5A % 2 2 3 !
65: CONST SI2ZR3_D5A : SI : ZR : !

Example references (2 of 2; 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:10.1016/0364-5916(94)90036-1 C. Gueneau, C. Servant, I. Ansara, N. Dupin, Thermodynamic assessment of the SiZr system, Calphad 18, 319-327 (1994).
assessment that models this phase

SI3ZR5_D88 (Si–Zr)

Id: phase:si-zr:si3zr5-d88; status assigned
Structure: Mn5Si3 · D8_8 · hP16 · P6_3/mcm (193); type st:d8-8-mn5si3-hp16; tier A: standard phase name; confidence high
Stoichiometry: Si 0.3750, Zr 0.6250
Stability: stable in 2 of 2 calculated diagram(s): 2018.89–2455.39 K, x(Zr) 0.625–0.625
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:si-zr:si3zr5-d88
paper: paper:10.1016/j.jallcom.2008.01.061:Si3Zr5
tdb: tdb:SiZr-09Che.tdb:SI3ZR5_D88, tdb:SiZr-94Gue-LB.tdb:SI3ZR5_D88

TDB models of SI3ZR5_D88 (2): PHASE and CONSTITUENT statements as written

SiZr-09Che.tdb: SI3ZR5_D88, type code %, sha256 e921a43da80c0a49…

77: PHASE SI3ZR5_D88 % 2 3 5 !
78: CONST SI3ZR5_D88 : SI : ZR : !

SiZr-94Gue-LB.tdb: SI3ZR5_D88, type code %, sha256 92268ff222aab9da…

69: PHASE SI3ZR5_D88 % 2 3 5 !
70: CONST SI3ZR5_D88 : SI : ZR : !

Example references (2 of 2; 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:10.1016/0364-5916(94)90036-1 C. Gueneau, C. Servant, I. Ansara, N. Dupin, Thermodynamic assessment of the SiZr system, Calphad 18, 319-327 (1994).
assessment that models this phase

SI4ZR5 (Si–Zr)

Id: phase:si-zr:si4zr5; status needs_review
No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition
Candidate (tdb_comment): Si4Zr5 · tP36 · P4_12_12 — SiZr-94Gue-LB.tdb: 'Prototype Si4Zr5 (tP36, P4_12_12), alpha-Si4Zr5'
Stoichiometry: Si 0.4444, Zr 0.5556
Stability: stable in 1 of 1 calculated diagram(s): 300–2527.23 K, x(Zr) 0.55556–0.55556
Literature: 4 values (4 accepted) from 2 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:si-zr:si4zr5
paper: paper:10.1016/0364-5916(94)90036-1:Si4Zr5, paper:sha256-85fd53a1a176b694:Si4Zr5
tdb: tdb:SiZr-94Gue-LB.tdb:SI4ZR5

TDB models of SI4ZR5 (1): PHASE and CONSTITUENT statements as written

SiZr-94Gue-LB.tdb: SI4ZR5, type code %, sha256 92268ff222aab9da…

59: PHASE SI4ZR5 % 2 4 5 !
60: CONST SI4ZR5 : SI : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/0364-5916(94)90036-1 C. Gueneau, C. Servant, I. Ansara, N. Dupin, Thermodynamic assessment of the SiZr system, Calphad 18, 319-327 (1994).
assessment that models this phase; reports values for this phase

SI4ZR5_ALPHA (Si–Zr)

Id: phase:si-zr:si4zr5-alpha; status needs_review
No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition
Candidate (sgte_mmc2): Si4Zr5 · tP36 · P4_12_12 (92) — Hallstedt 2025 mmc2 row for SI4ZR5_ALPHA: Si4Zr5-alpha
Candidate (tdb_comment): Si4Zr5 · tP36 · P4_12_12 — SiZr-09Che.tdb: 'Prototype Si4Zr5 (tP36, P4_12_12)'
Stoichiometry: Si 0.4444, Zr 0.5556
Stability: stable in 1 of 1 calculated diagram(s): 300–2131.3 K, x(Zr) 0.55556–0.55556
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:si-zr:si4zr5-alpha
paper: paper:10.1016/j.jallcom.2008.01.061:α-Si4Zr5
tdb: tdb:SiZr-09Che.tdb:SI4ZR5_ALPHA

TDB models of SI4ZR5_ALPHA (1): PHASE and CONSTITUENT statements as written

SiZr-09Che.tdb: SI4ZR5_ALPHA, type code %, sha256 e921a43da80c0a49…

62: PHASE SI4ZR5_ALPHA % 2 4 5 !
63: CONST SI4ZR5_ALPHA : SI : ZR : !

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

SI4ZR5_BETA (Si–Zr)

Id: phase:si-zr:si4zr5-beta; status needs_review
No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition
Candidate (sgte_mmc2): (Si4Zr5) — Hallstedt 2025 mmc2 row for SI4ZR5_BETA: Si4Zr5-beta
Stoichiometry: Si 0.4444, Zr 0.5556
Stability: stable in 1 of 1 calculated diagram(s): 2131.3–2524.63 K, x(Zr) 0.55556–0.55556
Literature: 8 values (8 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:si-zr:si4zr5-beta
paper: paper:10.1016/j.jallcom.2008.01.061:β-Si4Zr5
tdb: tdb:SiZr-09Che.tdb:SI4ZR5_BETA

TDB models of SI4ZR5_BETA (1): PHASE and CONSTITUENT statements as written

SiZr-09Che.tdb: SI4ZR5_BETA, type code %, sha256 e921a43da80c0a49…

67: PHASE SI4ZR5_BETA % 2 4 5 !
68: CONST SI4ZR5_BETA : SI : ZR : !

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

SIZR (Si–Zr)

Id: phase:si-zr:sizr; status needs_review
No structure assigned. Why: no_structure_token; polymorph_family:other phases of this system have the same composition
Candidate (dft_mp): Cmcm (63) — on-hull MP ZrSi at x(ZR)=0.5000
Candidate (dft_oqmd): Cmcm (63) — on-hull OQMD Si1 Zr1 at x(ZR)=0.5000
Candidate (tdb_comment): CrB · oC8 · Cmcm — SiZr-94Gue-LB.tdb: 'Prototype CrB (oC8, Cmcm), SB B33, alpha-SiZr'
Stoichiometry: Si 0.5000, Zr 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 300–2476.99 K, x(Zr) 0.5–0.5
Literature: 8 values (8 accepted) from 2 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:si-zr:sizr
paper: paper:10.1016/0364-5916(94)90036-1:SiZr, paper:sha256-85fd53a1a176b694:SiZr
tdb: tdb:SiZr-94Gue-LB.tdb:SIZR

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

SiZr-94Gue-LB.tdb: SIZR, type code %, sha256 92268ff222aab9da…

53: PHASE SIZR % 2 1 1 !
54: CONST SIZR : SI : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/0364-5916(94)90036-1 C. Gueneau, C. Servant, I. Ansara, N. Dupin, Thermodynamic assessment of the SiZr system, Calphad 18, 319-327 (1994).
assessment that models this phase; reports values for this phase

SIZR_B27 (Si–Zr)

Id: phase:si-zr:sizr-b27; status assigned
Structure: FeB · B27 · oP8 · Pnma (62); type st:b27-feb-op8; tier A: standard phase name; confidence high
Stoichiometry: Si 0.5000, Zr 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 1730.72–2480.67 K, x(Zr) 0.5–0.5
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:si-zr:sizr-b27
paper: paper:10.1016/j.jallcom.2008.01.061:β-SiZr
tdb: tdb:SiZr-09Che.tdb:SIZR_B27

TDB models of SIZR_B27 (1): PHASE and CONSTITUENT statements as written

SiZr-09Che.tdb: SIZR_B27, type code %, sha256 e921a43da80c0a49…

57: PHASE SIZR_B27 % 2 1 1 !
58: CONST SIZR_B27 : SI : ZR : !

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

SIZR_B33 (Si–Zr)

Id: phase:si-zr:sizr-b33; status assigned
Structure: CrB · B33 · oC8 · Cmcm (63); type st:b33-crb-oc8; tier A: standard phase name; confidence high
Stoichiometry: Si 0.5000, Zr 0.5000
Stability: stable in 1 of 1 calculated diagram(s): 300–1730.72 K, x(Zr) 0.5–0.5
Literature: 2 values (2 accepted) from 1 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:si-zr:sizr-b33
paper: paper:10.1016/j.jallcom.2008.01.061:α-SiZr
tdb: tdb:SiZr-09Che.tdb:SIZR_B33

TDB models of SIZR_B33 (1): PHASE and CONSTITUENT statements as written

SiZr-09Che.tdb: SIZR_B33, type code %, sha256 e921a43da80c0a49…

52: PHASE SIZR_B33 % 2 1 1 !
53: CONST SIZR_B33 : SI : ZR : !

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

SIZR2_C16 (Si–Zr)

Id: phase:si-zr:sizr2-c16; status assigned
Structure: Al2Cu · C16 · tI12 · I4/mcm (140); type st:c16-al2cu-ti12; tier A: standard phase name; confidence high
Caveat: DFT agrees: on-hull mp-aaaaabxe and oqmd-7792, space group 140
Stoichiometry: Si 0.3333, Zr 0.6667
Stability: stable in 2 of 2 calculated diagram(s): 300–2200.15 K, x(Zr) 0.66667–0.66667
Literature: 6 values (6 accepted) from 1 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:si-zr:sizr2-c16
mp: mp:mp-aaaaabxe
oqmd: oqmd:oqmd-7792
paper: paper:10.1016/j.jallcom.2008.01.061:SiZr2
tdb: tdb:SiZr-09Che.tdb:SIZR2_C16, tdb:SiZr-94Gue-LB.tdb:SIZR2_C16

TDB models of SIZR2_C16 (2): PHASE and CONSTITUENT statements as written

SiZr-09Che.tdb: SIZR2_C16, type code %, sha256 e921a43da80c0a49…

82: PHASE SIZR2_C16 % 2 1 2 !
83: CONST SIZR2_C16 : SI : ZR : !

SiZr-94Gue-LB.tdb: SIZR2_C16, type code %, sha256 92268ff222aab9da…

74: PHASE SIZR2_C16 % 2 1 2 !
75: CONST SIZR2_C16 : SI : ZR : !

Example references (2 of 2; 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:10.1016/0364-5916(94)90036-1 C. Gueneau, C. Servant, I. Ansara, N. Dupin, Thermodynamic assessment of the SiZr system, Calphad 18, 319-327 (1994).
assessment that models this phase

SIZR3 (Si–Zr)

Id: phase:si-zr:sizr3; status assigned
Structure: Ti3P · tP32 · P4_2/n (86); type st:ti3p-tp32; 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: Si 0.2500, Zr 0.7500
Stability: stable in 2 of 2 calculated diagram(s): 300–1927.47 K, x(Zr) 0.75–0.75
Literature: 10 values (10 accepted) from 3 papers
Interactive: phase registry entry

Names (6): corpus: corpus:phase:si-zr:sizr3
paper: paper:10.1016/0364-5916(94)90036-1:SiZr3, paper:10.1016/j.jallcom.2008.01.061:SiZr3, paper:sha256-85fd53a1a176b694:SiZr3
tdb: tdb:SiZr-09Che.tdb:SIZR3, tdb:SiZr-94Gue-LB.tdb:SIZR3

TDB models of SIZR3 (2): PHASE and CONSTITUENT statements as written

SiZr-09Che.tdb: SIZR3, type code %, sha256 e921a43da80c0a49…

87: PHASE SIZR3 % 2 1 3 !
88: CONST SIZR3 : SI : ZR : !

SiZr-94Gue-LB.tdb: SIZR3, type code %, sha256 92268ff222aab9da…

79: PHASE SIZR3 % 2 1 3 !
80: CONST SIZR3 : SI : ZR : !

Example references (2 of 2; 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:10.1016/0364-5916(94)90036-1 C. Gueneau, C. Servant, I. Ansara, N. Dupin, Thermodynamic assessment of the SiZr system, Calphad 18, 319-327 (1994).
assessment that models this phase; reports 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}
}