# Si–Zr phases

> Si–Zr system: 16 phases (tier A 10, tier C 1, liquid 1, needs_review 4); 15 stable in a calculated diagram in the ORCHID phase registry, with names, structure type when the stored evidence supports an assignment under the stated tier rules, calculated stability, verbatim TDB PHASE/CONSTITUENT statements and example references.

HTML: https://data.orchid-project.org/phases/pages/SI-ZR.html · Markdown: https://data.orchid-project.org/phases/pages/SI-ZR.md

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](https://orchid-project.org/phases/?q=SI-ZR) · [full JSON](https://data.orchid-project.org/phases/systems/SI-ZR.json) · [Si–Zr system page](https://data.orchid-project.org/systems/SI-ZR.html) · [Markdown](https://data.orchid-project.org/phases/pages/SI-ZR.md) · [field reference](https://data.orchid-project.org/phases/SCHEMA.md)

Table: Phases of the Si–Zr system (16)

| Phase | Structure | Basis | Stability (calculated) | Literature values | TDB models |
|---|---|---|---|---:|---:|
| [DIAMOND_A4](#phase-si-zr-a4-diamond); _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); _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); _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); _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); _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); _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); _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); _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); _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); _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); _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); _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); _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); _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); _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); _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](https://orchid-project.org/phases/#phase:si-zr:a4-diamond)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-09Che.tdb): DIAMOND_A4, type code %, sha256 `e921a43da80c0a49…`

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

[SiZr-94Gue-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/SiZr-94Gue-LB.tdb): DIAMOND_A4, type code %, sha256 `92268ff222aab9da…`

~~~~text
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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2894%2990036-1) 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](https://doi.org/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](https://orchid-project.org/phases/#phase:si-zr:bcc-a2)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-09Che.tdb): BCC_A2, type code %B, sha256 `e921a43da80c0a49…`

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

[SiZr-94Gue-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/SiZr-94Gue-LB.tdb): BCC_A2, type code %B, sha256 `92268ff222aab9da…`

~~~~text
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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2894%2990036-1) 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](https://orchid-project.org/phases/#phase:si-zr:fcc-a1)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-09Che.tdb): FCC_A1, type code %A, sha256 `e921a43da80c0a49…`

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

[SiZr-94Gue-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/SiZr-94Gue-LB.tdb): FCC_A1, type code %A, sha256 `92268ff222aab9da…`

~~~~text
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](https://doi.org/10.1016/0364-5916%2894%2990036-1) 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](https://doi.org/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](https://orchid-project.org/phases/#phase:si-zr:hcp-a3)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-09Che.tdb): HCP_A3, type code %A, sha256 `e921a43da80c0a49…`

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

[SiZr-94Gue-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/SiZr-94Gue-LB.tdb): HCP_A3, type code %A, sha256 `92268ff222aab9da…`

~~~~text
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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2894%2990036-1) 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](https://orchid-project.org/phases/#phase:si-zr:liquid)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-09Che.tdb): LIQUID, type code %, sha256 `e921a43da80c0a49…`

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

[SiZr-94Gue-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/SiZr-94Gue-LB.tdb): LIQUID, type code %, sha256 `92268ff222aab9da…`

~~~~text
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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2894%2990036-1) 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](https://doi.org/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](https://orchid-project.org/phases/#phase:si-zr:si2zr-c49)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-09Che.tdb): SI2ZR_C49, type code %, sha256 `e921a43da80c0a49…`

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

[SiZr-94Gue-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/SiZr-94Gue-LB.tdb): SI2ZR_C49, type code %, sha256 `92268ff222aab9da…`

~~~~text
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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2894%2990036-1) 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](https://doi.org/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](https://orchid-project.org/phases/#phase:si-zr:si2zr3-d5a)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-09Che.tdb): SI2ZR3_D5A, type code %, sha256 `e921a43da80c0a49…`

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

[SiZr-94Gue-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/SiZr-94Gue-LB.tdb): SI2ZR3_D5A, type code %, sha256 `92268ff222aab9da…`

~~~~text
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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2894%2990036-1) 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](https://orchid-project.org/phases/#phase:si-zr:si3zr5-d88)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-09Che.tdb): SI3ZR5_D88, type code %, sha256 `e921a43da80c0a49…`

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

[SiZr-94Gue-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/SiZr-94Gue-LB.tdb): SI3ZR5_D88, type code %, sha256 `92268ff222aab9da…`

~~~~text
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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2894%2990036-1) 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](https://orchid-project.org/phases/#phase:si-zr:si4zr5)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-94Gue-LB.tdb): SI4ZR5, type code %, sha256 `92268ff222aab9da…`

~~~~text
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](https://doi.org/10.1016/0364-5916%2894%2990036-1) 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](https://orchid-project.org/phases/#phase:si-zr:si4zr5-alpha)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-09Che.tdb): SI4ZR5_ALPHA, type code %, sha256 `e921a43da80c0a49…`

~~~~text
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](https://doi.org/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](https://orchid-project.org/phases/#phase:si-zr:si4zr5-beta)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-09Che.tdb): SI4ZR5_BETA, type code %, sha256 `e921a43da80c0a49…`

~~~~text
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](https://doi.org/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](https://orchid-project.org/phases/#phase:si-zr:sizr)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-94Gue-LB.tdb): SIZR, type code %, sha256 `92268ff222aab9da…`

~~~~text
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](https://doi.org/10.1016/0364-5916%2894%2990036-1) 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](https://orchid-project.org/phases/#phase:si-zr:sizr-b27)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-09Che.tdb): SIZR_B27, type code %, sha256 `e921a43da80c0a49…`

~~~~text
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](https://doi.org/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](https://orchid-project.org/phases/#phase:si-zr:sizr-b33)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-09Che.tdb): SIZR_B33, type code %, sha256 `e921a43da80c0a49…`

~~~~text
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](https://doi.org/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](https://orchid-project.org/phases/#phase:si-zr:sizr2-c16)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-09Che.tdb): SIZR2_C16, type code %, sha256 `e921a43da80c0a49…`

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

[SiZr-94Gue-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/SiZr-94Gue-LB.tdb): SIZR2_C16, type code %, sha256 `92268ff222aab9da…`

~~~~text
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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2894%2990036-1) 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](https://doi.org/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](https://orchid-project.org/phases/#phase:si-zr:sizr3)

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](https://orchid-project.org/data/databases/sgte-binary/SiZr-09Che.tdb): SIZR3, type code %, sha256 `e921a43da80c0a49…`

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

[SiZr-94Gue-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/SiZr-94Gue-LB.tdb): SIZR3, type code %, sha256 `92268ff222aab9da…`

~~~~text
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](https://doi.org/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](https://doi.org/10.1016/0364-5916%2894%2990036-1) 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). https://doi.org/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). https://doi.org/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.

```bibtex
@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}
}
```

---

Derived data CC BY 4.0 ([licence](https://creativecommons.org/licenses/by/4.0/)): cite the ORCHID phase registry and the sources named on the page (TDB assessments, Hallstedt 2025, Materials Project, OQMD). TDB statements are quoted as written; parameter expressions are not reproduced. Field reference: [SCHEMA.md](https://data.orchid-project.org/phases/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt).