# O–Zr phases > O–Zr system: 15 phases (tier A 4, tier C 4, liquid 2, gas 2, needs_review 3); 14 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/O-ZR.html · Markdown: https://data.orchid-project.org/phases/pages/O-ZR.md 15 phases (tier A 4, tier C 4, liquid 2, gas 2, needs_review 3); 14 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=O-ZR) · [full JSON](https://data.orchid-project.org/phases/systems/O-ZR.json) · [O–Zr system page](https://data.orchid-project.org/systems/O-ZR.html) · [Markdown](https://data.orchid-project.org/phases/pages/O-ZR.md) · [field reference](https://data.orchid-project.org/phases/SCHEMA.md) Table: Phases of the O–Zr system (15) | Phase | Structure | Basis | Stability (calculated) | Literature values | TDB models | |---|---|---|---|---:|---:| | [BCC_A2](#phase-o-zr-bcc-a2); _phase:o-zr:bcc-a2_ | W · A2 · cI2 · Im-3m (229) | tier A: standard phase name | stable in 6 of 6 calculated diagram(s): 1138–2255.73 K, x(O) 0–0.11818 | 45 | 7 | | [FLUORITE_C1](#phase-o-zr-c1-fluorite); _phase:o-zr:c1-fluorite_ | | needs_review | stable in 2 of 2 calculated diagram(s): 1789.79–3069.93 K, x(O) 0.61667–0.66666 | 6 | 3 | | [FCC_A1](#phase-o-zr-fcc-a1); _phase:o-zr:fcc-a1_ | Cu · A1 · cF4 · Fm-3m (225) | tier A: standard phase name | not stable in 6 calculated diagram(s) | 0 | 7 | | [GAS](#phase-o-zr-gas); _phase:o-zr:gas_ | gas | gas | stable in 6 of 6 calculated diagram(s): 300.49–4000 K, x(O) 0.9431–1 | 0 | 7 | | [HCP_3ORD](#phase-o-zr-hcp-3ord); _phase:o-zr:hcp-3ord_ | | needs_review | stable in 1 of 1 calculated diagram(s): 300–2400.6 K, x(O) 0–0.32055 | 0 | 1 | | [HCP_A3](#phase-o-zr-hcp-a3); _phase:o-zr:hcp-a3_ | Mg · A3 · hP2 · P6_3/mmc (194) | tier A: standard phase name | stable in 5 of 5 calculated diagram(s): 300–2430.73 K, x(O) 0–0.33333 | 16 | 6 | | [ION](#phase-o-zr-ion); _phase:o-zr:ion_ | liquid | liquid | stable in 4 of 4 calculated diagram(s): 2127.86–4000 K, x(O) 0–0.66999 | 0 | 5 | | [LIQUID](#phase-o-zr-liquid); _phase:o-zr:liquid_ | liquid | liquid | stable in 2 of 6 calculated diagram(s): 2128.54–4000 K, x(O) 0–0.66941 | 42 | 7 | | [O2GAS](#phase-o-zr-o2gas); _phase:o-zr:o2gas_ | gas | gas | stable in 5 of 6 calculated diagram(s): 300–1185 K, x(O) 1–1 | 0 | 7 | | [ZR2O](#phase-o-zr-zr2o); _phase:o-zr:zr2o_ | Cu2O · C3 · cP6 · Pn-3m (224) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 1 of 1 calculated diagram(s): 300–646.66 K, x(O) 0.33333–0.33333 | 2 | 1 | | [ZR3O](#phase-o-zr-zr3o); _phase:o-zr:zr3o_ | Fe3N · hP8 · P6_322 (182) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 1 of 1 calculated diagram(s): 300–637.14 K, x(O) 0.25–0.25 | 2 | 1 | | [ZR6O](#phase-o-zr-zr6o); _phase:o-zr:zr6o_ | | needs_review | stable in 1 of 1 calculated diagram(s): 300–582.24 K, x(O) 0.14286–0.14286 | 2 | 1 | | [ZRO2_C1](#phase-o-zr-zro2-c1); _phase:o-zr:zro2-c1_ | CaF2 · C1 · cF12 · Fm-3m (225) | tier A: standard phase name | stable in 4 of 4 calculated diagram(s): 1692.89–2984.22 K, x(O) 0.60342–0.67026 | 4 | 4 | | [ZRO2_MONO](#phase-o-zr-zro2-mono); _phase:o-zr:zro2-mono_ | ZrO2-m · C43 · mP12 · P2_1/c (14) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 5 of 6 calculated diagram(s): 300–1503.73 K, x(O) 0.66664–0.66667 | 0 | 7 | | [ZRO2_TETR](#phase-o-zr-zro2-tetr); _phase:o-zr:zro2-tetr_ | HgI2 · tP6 · P4_2/nmc (137) | tier C: assessor-stated (Hallstedt 2025 crystallographic table) | stable in 4 of 6 calculated diagram(s): 1465.32–2650.1 K, x(O) 0.66452–0.66667 | 0 | 7 | ## BCC_A2 (O–Zr) - Id: `phase:o-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 6 of 6 calculated diagram(s): 1138–2255.73 K, x(O) 0–0.11818 - Literature: 45 values (45 accepted) from 3 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:o-zr:bcc-a2) Names (12): _corpus: _corpus:phase:o-zr:bcc-a2 _paper: _paper:10.1016/j.calphad.2004.09.002:bcc, paper:10.1016/j.calphad.2004.09.002:β, paper:10.1016/s0022-3115(98)00450-4:β, paper:10.1016/s0364-5916(02)00027-5:BCC _tdb: _tdb:ZrO-01Lia-LB.tdb:BCC_A2, tdb:ZrO-02Arr.tdb:BCC_A2, tdb:ZrO-04Che.tdb:BCC_A2, tdb:ZrO-04Wan.tdb:BCC_A2, tdb:ZrO-06Wan.tdb:BCC_A2, tdb:ZrO-23Jia.tdb:BCC_A2, tdb:ZrO-98Che.tdb:BCC_A2 ### TDB models of BCC_A2 (7): PHASE and CONSTITUENT statements as written [ZrO-01Lia-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-01Lia-LB.tdb): BCC_A2, type code %B, sha256 `6186bf8ce3a9c3fe…` ~~~~text 45: PHASE BCC_A2 %B 2 1 3 ! 46: CONST BCC_A2 : ZR : VA% O : ! ~~~~ [ZrO-02Arr.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-02Arr.tdb): BCC_A2, type code %B, sha256 `7c8790ce3e67d37d…` ~~~~text 48: PHASE BCC_A2 %B 2 1 3 ! 49: CONST BCC_A2 : ZR : VA% O : ! ~~~~ [ZrO-04Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Che.tdb): BCC_A2, type code %B, sha256 `4011828e6dc89604…` ~~~~text 45: PHASE BCC_A2 %B 2 1 1.5 ! 46: CONST BCC_A2 : ZR : VA% O : ! ~~~~ [ZrO-04Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Wan.tdb): BCC_A2, type code %B, sha256 `b2c2da28b0434ca0…` ~~~~text 48: PHASE BCC_A2 %B 2 1 1.5 ! 49: CONST BCC_A2 : ZR : VA% O : ! ~~~~ [ZrO-06Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-06Wan.tdb): BCC_A2, type code %B, sha256 `942aa0afdfa355d9…` ~~~~text 52: PHASE BCC_A2 %B 2 1 1 ! 53: CONST BCC_A2 : ZR : VA% O : ! ~~~~ [ZrO-23Jia.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-23Jia.tdb): BCC_A2, type code %B, sha256 `46c69c633d1f2a3d…` ~~~~text 46: PHASE BCC_A2 %B 2 1 3 ! 47: CONST BCC_A2 : ZR : VA% O : ! ~~~~ [ZrO-98Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-98Che.tdb): BCC_A2, type code %B, sha256 `96718081b9016929…` ~~~~text 48: PHASE BCC_A2 %B 2 1 3 ! 49: CONST BCC_A2 : ZR : VA% O : ! ~~~~ Example references (10 of 12; assessments first): - [doi:10.1016/j.calphad.2004.09.002](https://doi.org/10.1016/j.calphad.2004.09.002) Chong Wang, Matvei Zinkevich, Fritz Aldinger, On the thermodynamic modeling of the Zr–O system, Calphad 28, 281-292 (2004). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/S0022-3115(98)00450-4](https://doi.org/10.1016/S0022-3115%2898%2900450-4) P.-Y. Chevalier, E. Fischer, J. Nucl. Mater., 257, 213-55(1998). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/S0364-5916(02)00027-5](https://doi.org/10.1016/S0364-5916%2802%2900027-5) R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002). _assessment that models this phase; cited as the source of values for this phase; reports values for this phase_ - [doi:10.1016/j.jnucmat.2022.154180](https://doi.org/10.1016/j.jnucmat.2022.154180) Yueshan Jiang, Yanlin He, Weisen Zheng, Jianlei Zhang, Dekui Zhang, Xiaogang Lu, Thermodynamic analysis for molten corium stratification with U-Zr-O-Fe database, Journal of Nuclear Materials 574, 154180 (2023). _assessment that models this phase_ - [doi:10.1016/j.ssi.2004.02.017](https://doi.org/10.1016/j.ssi.2004.02.017) M CHEN, B HALLSTEDT, L GAUCKLER, Thermodynamic modeling of the ZrO2–YO1.5 system, Solid State Ionics 170, 255-274 (2004). _assessment that models this phase_ - [doi:10.1515/ijmr-2001-0140](https://doi.org/10.1515/ijmr-2001-0140) P. Liang, N. Dupin, S.G. Fries, H.J. Seifert, I. Ansara, H.L. Lukas, F. Aldinger, Z. Metallkd., 92, 747-56(2001). _assessment that models this phase_ - [doi:10.1016/0022-3115(61)90075-7](https://doi.org/10.1016/0022-3115%2861%2990075-7) Erich Gebhardt, Hans-Dieter Seghezzi, Wolfgang Dürrschnabel, Untersuchungen in system Zirkonium-Sauerstoff teil 2 untersuchungen zur kinetik der reaktion zwischen Zirkonium und sauerstoff, sowie über die konstitution des systems Zirkonium-Sauerstoff, Journal of Nuclear Materials 4, 255-268 (1961). _cited as the source of values for this phase_ - [doi:10.1007/bf02881546](https://doi.org/10.1007/bf02881546) J.P. Abriata, J. Garces, R. Versaci, Bull. Alloy Phase Diagr. 7 (1986) 116–124. _cited as the source of values for this phase_ - [doi:10.1111/j.1151-2916.1992.tb04384.x](https://doi.org/10.1111/j.1151-2916.1992.tb04384.x) Yong Du, Zhanpeng Jin, Peiyun Huang, Thermodynamic Calculation of the Zirconia–Calcia System, Journal of the American Ceramic Society 75, 3040-3048 (1992). _cited as the source of values for this phase_ - [doi:10.1021/ja01161a106](https://doi.org/10.1021/ja01161a106) J. P. Coughlin, E. G. King, High-Temperature Heat Contents of Some Zirconium-containing Substances \1\, J. Am. Chem. Soc. 72, 2262-2265 (1950). _cited as the source of values for this phase_ ## FLUORITE_C1 (O–Zr) - Id: `phase:o-zr:c1-fluorite`; status `needs_review` - No structure assigned. Why: unrecognised_name_tokens:FLUORITE - Candidate (literature_printed): CaF2 · cF12 — printed with a label mapped to this phase - Candidate (name_token): CaF2 · C1 · cF12 · Fm-3m (225) — Strukturbericht/word 'C1' in the TDB name - Candidate (sgte_mmc2): CaF2 · C1 · cF12 · Fm-3m (225) — Hallstedt 2025 mmc2 row for FLUORITE_C1: CeO2 - Candidate (tdb_comment): CaF2 · cF12 · Fm-3m — ZrO-04Che.tdb: 'Prototype CaF2 (cF12, Fm-3m)' - Candidate (tdb_comment): CaF2 · cF12 · Fm-3m — ZrO-04Wan.tdb: 'Prototype CaF2 (cF12, Fm-3m)' - Candidate (tdb_comment): CaF2 · cF12 · Fm-3m — ZrO-06Wan.tdb: 'Prototype CaF2 (cF12, Fm-3m)' - Stability: stable in 2 of 2 calculated diagram(s): 1789.79–3069.93 K, x(O) 0.61667–0.66666 - Literature: 6 values (6 accepted) from 1 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:o-zr:c1-fluorite) Names (5): _corpus: _corpus:phase:o-zr:c1-fluorite _paper: _paper:10.1016/j.calphad.2004.09.002:γ-ZrO2 _tdb: _tdb:ZrO-04Che.tdb:FLUORITE_C1, tdb:ZrO-04Wan.tdb:FLUORITE_C1, tdb:ZrO-06Wan.tdb:FLUORITE_C1 ### TDB models of FLUORITE_C1 (3): PHASE and CONSTITUENT statements as written [ZrO-04Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Che.tdb): FLUORITE_C1, type code %, sha256 `4011828e6dc89604…` ~~~~text 55: PHASE FLUORITE_C1:I % 2 1 2 ! 56: CONST FLUORITE_C1:I : ZR ZR+4% : O-2 VA : ! ~~~~ [ZrO-04Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Wan.tdb): FLUORITE_C1, type code %, sha256 `b2c2da28b0434ca0…` ~~~~text 58: PHASE FLUORITE_C1:I % 2 1 2 ! 59: CONST FLUORITE_C1:I : ZR+2 ZR+4% : O-2 VA : ! ~~~~ [ZrO-06Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-06Wan.tdb): FLUORITE_C1, type code %, sha256 `942aa0afdfa355d9…` ~~~~text 62: PHASE FLUORITE_C1:I % 2 1 2 ! 63: CONST FLUORITE_C1:I : ZR+2 ZR+4% : O-2 VA : ! ~~~~ Example references (3 of 3; assessments first): - [doi:10.1016/j.calphad.2004.09.002](https://doi.org/10.1016/j.calphad.2004.09.002) Chong Wang, Matvei Zinkevich, Fritz Aldinger, On the thermodynamic modeling of the Zr–O system, Calphad 28, 281-292 (2004). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.ssi.2004.02.017](https://doi.org/10.1016/j.ssi.2004.02.017) M CHEN, B HALLSTEDT, L GAUCKLER, Thermodynamic modeling of the ZrO2–YO1.5 system, Solid State Ionics 170, 255-274 (2004). _assessment that models this phase_ - [doi:10.1007/bf02881546](https://doi.org/10.1007/bf02881546) J.P. Abriata, J. Garces, R. Versaci, Bull. Alloy Phase Diagr. 7 (1986) 116–124. _cited as the source of values for this phase_ ## FCC_A1 (O–Zr) - Id: `phase:o-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 6 calculated diagram(s) - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:o-zr:fcc-a1) Names (8): _corpus: _corpus:phase:o-zr:fcc-a1 _tdb: _tdb:ZrO-01Lia-LB.tdb:FCC_A1, tdb:ZrO-02Arr.tdb:FCC_A1, tdb:ZrO-04Che.tdb:FCC_A1, tdb:ZrO-04Wan.tdb:FCC_A1, tdb:ZrO-06Wan.tdb:FCC_A1, tdb:ZrO-23Jia.tdb:FCC_A1, tdb:ZrO-98Che.tdb:FCC_A1 ### TDB models of FCC_A1 (7): PHASE and CONSTITUENT statements as written [ZrO-01Lia-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-01Lia-LB.tdb): FCC_A1, type code %A, sha256 `6186bf8ce3a9c3fe…` ~~~~text 40: PHASE FCC_A1 %A 2 1 1 ! 41: CONST FCC_A1 : ZR : VA% O : ! ~~~~ [ZrO-02Arr.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-02Arr.tdb): FCC_A1, type code %A, sha256 `7c8790ce3e67d37d…` ~~~~text 43: PHASE FCC_A1 %A 2 1 1 ! 44: CONST FCC_A1 : ZR : VA% O : ! ~~~~ [ZrO-04Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Che.tdb): FCC_A1, type code %A, sha256 `4011828e6dc89604…` ~~~~text 39: PHASE FCC_A1 %A 2 1 1 ! 40: CONST FCC_A1 : ZR : VA% O : ! ~~~~ [ZrO-04Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Wan.tdb): FCC_A1, type code %A, sha256 `b2c2da28b0434ca0…` ~~~~text 42: PHASE FCC_A1 %A 2 1 1 ! 43: CONST FCC_A1 : ZR : VA% O : ! ~~~~ [ZrO-06Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-06Wan.tdb): FCC_A1, type code %A, sha256 `942aa0afdfa355d9…` ~~~~text 46: PHASE FCC_A1 %A 2 1 1 ! 47: CONST FCC_A1 : ZR : VA% O : ! ~~~~ [ZrO-23Jia.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-23Jia.tdb): FCC_A1, type code %A, sha256 `46c69c633d1f2a3d…` ~~~~text 41: PHASE FCC_A1 %A 2 1 1 ! 42: CONST FCC_A1 : ZR : VA% O : ! ~~~~ [ZrO-98Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-98Che.tdb): FCC_A1, type code %A, sha256 `96718081b9016929…` ~~~~text 43: PHASE FCC_A1 %A 2 1 1 ! 44: CONST FCC_A1 : ZR : VA% O : ! ~~~~ Example references (6 of 6; assessments first): - [doi:10.1016/j.calphad.2004.09.002](https://doi.org/10.1016/j.calphad.2004.09.002) Chong Wang, Matvei Zinkevich, Fritz Aldinger, On the thermodynamic modeling of the Zr–O system, Calphad 28, 281-292 (2004). _assessment that models this phase_ - [doi:10.1016/j.jnucmat.2022.154180](https://doi.org/10.1016/j.jnucmat.2022.154180) Yueshan Jiang, Yanlin He, Weisen Zheng, Jianlei Zhang, Dekui Zhang, Xiaogang Lu, Thermodynamic analysis for molten corium stratification with U-Zr-O-Fe database, Journal of Nuclear Materials 574, 154180 (2023). _assessment that models this phase_ - [doi:10.1016/j.ssi.2004.02.017](https://doi.org/10.1016/j.ssi.2004.02.017) M CHEN, B HALLSTEDT, L GAUCKLER, Thermodynamic modeling of the ZrO2–YO1.5 system, Solid State Ionics 170, 255-274 (2004). _assessment that models this phase_ - [doi:10.1016/S0022-3115(98)00450-4](https://doi.org/10.1016/S0022-3115%2898%2900450-4) P.-Y. Chevalier, E. Fischer, J. Nucl. Mater., 257, 213-55(1998). _assessment that models this phase_ - [doi:10.1016/S0364-5916(02)00027-5](https://doi.org/10.1016/S0364-5916%2802%2900027-5) R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002). _assessment that models this phase_ - [doi:10.1515/ijmr-2001-0140](https://doi.org/10.1515/ijmr-2001-0140) P. Liang, N. Dupin, S.G. Fries, H.J. Seifert, I. Ansara, H.L. Lukas, F. Aldinger, Z. Metallkd., 92, 747-56(2001). _assessment that models this phase_ ## GAS (O–Zr) - Id: `phase:o-zr:gas`; status `assigned` - Structure: gas; type `st:gas`; gas; confidence high - Stability: stable in 6 of 6 calculated diagram(s): 300.49–4000 K, x(O) 0.9431–1 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:o-zr:gas) Names (8): _corpus: _corpus:phase:o-zr:gas _tdb: _tdb:ZrO-01Lia-LB.tdb:GAS, tdb:ZrO-02Arr.tdb:GAS, tdb:ZrO-04Che.tdb:GAS, tdb:ZrO-04Wan.tdb:GAS, tdb:ZrO-06Wan.tdb:GAS, tdb:ZrO-23Jia.tdb:GAS, tdb:ZrO-98Che.tdb:GAS ### TDB models of GAS (7): PHASE and CONSTITUENT statements as written [ZrO-01Lia-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-01Lia-LB.tdb): GAS, type code %, sha256 `6186bf8ce3a9c3fe…` ~~~~text 72: PHASE GAS:G % 1 1 ! 73: CONST GAS:G : O O2 O3 ZR ZR2 ZRO ZRO2 : ! ~~~~ [ZrO-02Arr.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-02Arr.tdb): GAS, type code %, sha256 `7c8790ce3e67d37d…` ~~~~text 89: PHASE GAS:G % 1 1 ! 90: CONST GAS:G : O O2 O3 ZR ZR2 ZRO ZRO2 : ! ~~~~ [ZrO-04Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Che.tdb): GAS, type code %, sha256 `4011828e6dc89604…` ~~~~text 71: PHASE GAS:G % 1 1 ! 72: CONST GAS:G : O O2 O3 ZR ZR2 ZRO ZRO2 : ! ~~~~ [ZrO-04Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Wan.tdb): GAS, type code %, sha256 `b2c2da28b0434ca0…` ~~~~text 74: PHASE GAS:G % 1 1 ! 75: CONST GAS:G : O O2 O3 ZR ZR2 ZRO ZRO2 : ! ~~~~ [ZrO-06Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-06Wan.tdb): GAS, type code %, sha256 `942aa0afdfa355d9…` ~~~~text 78: PHASE GAS:G % 1 1 ! 79: CONST GAS:G : O O2 O3 ZR ZR2 ZRO ZRO2 : ! ~~~~ [ZrO-23Jia.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-23Jia.tdb): GAS, type code %, sha256 `46c69c633d1f2a3d…` ~~~~text 72: PHASE GAS:G % 1 1 ! 73: CONST GAS:G : O O2 O3 ZR ZR2 ZRO ZRO2 : ! ~~~~ [ZrO-98Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-98Che.tdb): GAS, type code %, sha256 `96718081b9016929…` ~~~~text 74: PHASE GAS:G % 1 1 ! 75: CONST GAS:G : O O2 O3 ZR ZR2 ZRO ZRO2 : ! ~~~~ Example references (6 of 6; assessments first): - [doi:10.1016/j.calphad.2004.09.002](https://doi.org/10.1016/j.calphad.2004.09.002) Chong Wang, Matvei Zinkevich, Fritz Aldinger, On the thermodynamic modeling of the Zr–O system, Calphad 28, 281-292 (2004). _assessment that models this phase_ - [doi:10.1016/j.jnucmat.2022.154180](https://doi.org/10.1016/j.jnucmat.2022.154180) Yueshan Jiang, Yanlin He, Weisen Zheng, Jianlei Zhang, Dekui Zhang, Xiaogang Lu, Thermodynamic analysis for molten corium stratification with U-Zr-O-Fe database, Journal of Nuclear Materials 574, 154180 (2023). _assessment that models this phase_ - [doi:10.1016/j.ssi.2004.02.017](https://doi.org/10.1016/j.ssi.2004.02.017) M CHEN, B HALLSTEDT, L GAUCKLER, Thermodynamic modeling of the ZrO2–YO1.5 system, Solid State Ionics 170, 255-274 (2004). _assessment that models this phase_ - [doi:10.1016/S0022-3115(98)00450-4](https://doi.org/10.1016/S0022-3115%2898%2900450-4) P.-Y. Chevalier, E. Fischer, J. Nucl. Mater., 257, 213-55(1998). _assessment that models this phase_ - [doi:10.1016/S0364-5916(02)00027-5](https://doi.org/10.1016/S0364-5916%2802%2900027-5) R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002). _assessment that models this phase_ - [doi:10.1515/ijmr-2001-0140](https://doi.org/10.1515/ijmr-2001-0140) P. Liang, N. Dupin, S.G. Fries, H.J. Seifert, I. Ansara, H.L. Lukas, F. Aldinger, Z. Metallkd., 92, 747-56(2001). _assessment that models this phase_ ## HCP_3ORD (O–Zr) - Id: `phase:o-zr:hcp-3ord`; status `needs_review` - No structure assigned. Why: assessment_declared_blocked_by:sgte_mmc2_row_disagrees_with_name; sgte_mmc2_row_disagrees_with_name:HCP_3ORD; unrecognised_name_tokens:3ORD - Candidate (name_token): Mg · A3 · hP2 · P6_3/mmc (194) — Strukturbericht/word 'A3' in the TDB name - Candidate (sgte_mmc2): Zr3O · hP8 · P6_322 (182) — Hallstedt 2025 mmc2 row for HCP_3ORD: Zr3O - Stability: stable in 1 of 1 calculated diagram(s): 300–2400.6 K, x(O) 0–0.32055 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:o-zr:hcp-3ord) Names (2): _corpus: _corpus:phase:o-zr:hcp-3ord _tdb: _tdb:ZrO-01Lia-LB.tdb:HCP_3ORD ### TDB models of HCP_3ORD (1): PHASE and CONSTITUENT statements as written [ZrO-01Lia-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-01Lia-LB.tdb): HCP_3ORD, type code %A, sha256 `6186bf8ce3a9c3fe…` ~~~~text 51: PHASE HCP_3ORD %A 4 3 1 1 1 ! 52: CONST HCP_3ORD : ZR : O% VA : O VA% : O VA% : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.1515/ijmr-2001-0140](https://doi.org/10.1515/ijmr-2001-0140) P. Liang, N. Dupin, S.G. Fries, H.J. Seifert, I. Ansara, H.L. Lukas, F. Aldinger, Z. Metallkd., 92, 747-56(2001). _assessment that models this phase_ ## HCP_A3 (O–Zr) - Id: `phase:o-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): 300–2430.73 K, x(O) 0–0.33333 - Literature: 16 values (16 accepted) from 2 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:o-zr:hcp-a3) Names (10): _corpus: _corpus:phase:o-zr:hcp-a3 _paper: _paper:10.1016/j.calphad.2004.09.002:hcp, paper:10.1016/s0364-5916(02)00027-5:(HCP), paper:10.1016/s0364-5916(02)00027-5:HCP _tdb: _tdb:ZrO-02Arr.tdb:HCP_A3, tdb:ZrO-04Che.tdb:HCP_A3, tdb:ZrO-04Wan.tdb:HCP_A3, tdb:ZrO-06Wan.tdb:HCP_A3, tdb:ZrO-23Jia.tdb:HCP_A3, tdb:ZrO-98Che.tdb:HCP_A3 ### TDB models of HCP_A3 (6): PHASE and CONSTITUENT statements as written [ZrO-02Arr.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-02Arr.tdb): HCP_A3, type code %A, sha256 `7c8790ce3e67d37d…` ~~~~text 53: PHASE HCP_A3 %A 2 1 0.5 ! 54: CONST HCP_A3 : ZR : VA% O : ! ~~~~ [ZrO-04Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Che.tdb): HCP_A3, type code %A, sha256 `4011828e6dc89604…` ~~~~text 50: PHASE HCP_A3 %A 2 1 0.5 ! 51: CONST HCP_A3 : ZR : VA% O : ! ~~~~ [ZrO-04Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Wan.tdb): HCP_A3, type code %A, sha256 `b2c2da28b0434ca0…` ~~~~text 53: PHASE HCP_A3 %A 2 1 0.5 ! 54: CONST HCP_A3 : ZR : VA% O : ! ~~~~ [ZrO-06Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-06Wan.tdb): HCP_A3, type code %A, sha256 `942aa0afdfa355d9…` ~~~~text 57: PHASE HCP_A3 %A 2 1 0.5 ! 58: CONST HCP_A3 : ZR : VA% O : ! ~~~~ [ZrO-23Jia.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-23Jia.tdb): HCP_A3, type code %A, sha256 `46c69c633d1f2a3d…` ~~~~text 51: PHASE HCP_A3 %A 2 1 2 ! 52: CONST HCP_A3 : ZR : VA% O : ! ~~~~ [ZrO-98Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-98Che.tdb): HCP_A3, type code %A, sha256 `96718081b9016929…` ~~~~text 53: PHASE HCP_A3 %A 2 1 2 ! 54: CONST HCP_A3 : ZR : VA% O : ! ~~~~ Example references (6 of 6; assessments first): - [doi:10.1016/j.calphad.2004.09.002](https://doi.org/10.1016/j.calphad.2004.09.002) Chong Wang, Matvei Zinkevich, Fritz Aldinger, On the thermodynamic modeling of the Zr–O system, Calphad 28, 281-292 (2004). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/S0364-5916(02)00027-5](https://doi.org/10.1016/S0364-5916%2802%2900027-5) R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.jnucmat.2022.154180](https://doi.org/10.1016/j.jnucmat.2022.154180) Yueshan Jiang, Yanlin He, Weisen Zheng, Jianlei Zhang, Dekui Zhang, Xiaogang Lu, Thermodynamic analysis for molten corium stratification with U-Zr-O-Fe database, Journal of Nuclear Materials 574, 154180 (2023). _assessment that models this phase_ - [doi:10.1016/j.ssi.2004.02.017](https://doi.org/10.1016/j.ssi.2004.02.017) M CHEN, B HALLSTEDT, L GAUCKLER, Thermodynamic modeling of the ZrO2–YO1.5 system, Solid State Ionics 170, 255-274 (2004). _assessment that models this phase_ - [doi:10.1016/S0022-3115(98)00450-4](https://doi.org/10.1016/S0022-3115%2898%2900450-4) P.-Y. Chevalier, E. Fischer, J. Nucl. Mater., 257, 213-55(1998). _assessment that models this phase_ - [doi:10.1007/bf02881546](https://doi.org/10.1007/bf02881546) J.P. Abriata, J. Garces, R. Versaci, Bull. Alloy Phase Diagr. 7 (1986) 116–124. _cited as the source of values for this phase_ ## ION (O–Zr) - Id: `phase:o-zr:ion`; status `assigned` - Structure: liquid; type `st:liquid`; liquid; confidence high - Stability: stable in 4 of 4 calculated diagram(s): 2127.86–4000 K, x(O) 0–0.66999 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:o-zr:ion) Names (6): _corpus: _corpus:phase:o-zr:ion _tdb: _tdb:ZrO-01Lia-LB.tdb:ION, tdb:ZrO-02Arr.tdb:ION, tdb:ZrO-04Che.tdb:ION, tdb:ZrO-04Wan.tdb:ION, tdb:ZrO-06Wan.tdb:ION ### TDB models of ION (5): PHASE and CONSTITUENT statements as written [ZrO-01Lia-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-01Lia-LB.tdb): ION, type code %, sha256 `6186bf8ce3a9c3fe…` ~~~~text 32: PHASE ION:Y % 2 1 1 ! 33: CONST ION:Y : ZR+4 : O-2 VA O : ! ~~~~ [ZrO-02Arr.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-02Arr.tdb): ION, type code %, sha256 `7c8790ce3e67d37d…` ~~~~text 35: PHASE ION:Y % 2 1 1 ! 36: CONST ION:Y : ZR+4 : O-2 VA : ! ~~~~ [ZrO-04Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Che.tdb): ION, type code %, sha256 `4011828e6dc89604…` ~~~~text 31: PHASE ION:Y % 2 1 1 ! 32: CONST ION:Y : ZR+4 : O-2 VA : ! ~~~~ [ZrO-04Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Wan.tdb): ION, type code %, sha256 `b2c2da28b0434ca0…` ~~~~text 34: PHASE ION:Y % 2 1 1 ! 35: CONST ION:Y : ZR+4 : O-2 VA : ! ~~~~ [ZrO-06Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-06Wan.tdb): ION, type code %, sha256 `942aa0afdfa355d9…` ~~~~text 38: PHASE ION:Y % 2 1 1 ! 39: CONST ION:Y : ZR+4 : O-2 VA : ! ~~~~ Example references (4 of 4; assessments first): - [doi:10.1016/j.calphad.2004.09.002](https://doi.org/10.1016/j.calphad.2004.09.002) Chong Wang, Matvei Zinkevich, Fritz Aldinger, On the thermodynamic modeling of the Zr–O system, Calphad 28, 281-292 (2004). _assessment that models this phase_ - [doi:10.1016/j.ssi.2004.02.017](https://doi.org/10.1016/j.ssi.2004.02.017) M CHEN, B HALLSTEDT, L GAUCKLER, Thermodynamic modeling of the ZrO2–YO1.5 system, Solid State Ionics 170, 255-274 (2004). _assessment that models this phase_ - [doi:10.1016/S0364-5916(02)00027-5](https://doi.org/10.1016/S0364-5916%2802%2900027-5) R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002). _assessment that models this phase_ - [doi:10.1515/ijmr-2001-0140](https://doi.org/10.1515/ijmr-2001-0140) P. Liang, N. Dupin, S.G. Fries, H.J. Seifert, I. Ansara, H.L. Lukas, F. Aldinger, Z. Metallkd., 92, 747-56(2001). _assessment that models this phase_ ## LIQUID (O–Zr) - Id: `phase:o-zr:liquid`; status `assigned` - Structure: liquid; type `st:liquid`; liquid; confidence high - Stability: stable in 2 of 6 calculated diagram(s): 2128.54–4000 K, x(O) 0–0.66941 - Literature: 42 values (42 accepted) from 3 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:o-zr:liquid) Names (13): _corpus: _corpus:phase:o-zr:liquid _paper: _paper:10.1016/j.calphad.2004.09.002:L, paper:10.1016/j.calphad.2004.09.002:liquid, paper:10.1016/s0022-3115(98)00450-4:L, paper:10.1016/s0364-5916(02)00027-5:L, paper:10.1016/s0364-5916(02)00027-5:Liquid _tdb: _tdb:ZrO-01Lia-LB.tdb:LIQUID, tdb:ZrO-02Arr.tdb:LIQUID, tdb:ZrO-04Che.tdb:LIQUID, tdb:ZrO-04Wan.tdb:LIQUID, tdb:ZrO-06Wan.tdb:LIQUID, tdb:ZrO-23Jia.tdb:LIQUID, tdb:ZrO-98Che.tdb:LIQUID ### TDB models of LIQUID (7): PHASE and CONSTITUENT statements as written [ZrO-01Lia-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-01Lia-LB.tdb): LIQUID, type code %, sha256 `6186bf8ce3a9c3fe…` ~~~~text 35: PHASE LIQUID:L % 1 1 ! 36: CONST LIQUID:L : ZR : ! ~~~~ [ZrO-02Arr.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-02Arr.tdb): LIQUID, type code %, sha256 `7c8790ce3e67d37d…` ~~~~text 38: PHASE LIQUID:L % 1 1 ! 39: CONST LIQUID:L : ZR : ! ~~~~ [ZrO-04Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Che.tdb): LIQUID, type code %, sha256 `4011828e6dc89604…` ~~~~text 34: PHASE LIQUID:L % 1 1 ! 35: CONST LIQUID:L : ZR : ! ~~~~ [ZrO-04Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Wan.tdb): LIQUID, type code %, sha256 `b2c2da28b0434ca0…` ~~~~text 37: PHASE LIQUID:L % 1 1 ! 38: CONST LIQUID:L : ZR : ! ~~~~ [ZrO-06Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-06Wan.tdb): LIQUID, type code %, sha256 `942aa0afdfa355d9…` ~~~~text 41: PHASE LIQUID:L % 1 1 ! 42: CONST LIQUID:L : ZR : ! ~~~~ [ZrO-23Jia.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-23Jia.tdb): LIQUID, type code %, sha256 `46c69c633d1f2a3d…` ~~~~text 36: PHASE LIQUID:L % 1 1 ! 37: CONST LIQUID:L : O ZR ZRO2 : ! ~~~~ [ZrO-98Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-98Che.tdb): LIQUID, type code %, sha256 `96718081b9016929…` ~~~~text 38: PHASE LIQUID:L % 1 1 ! 39: CONST LIQUID:L : O ZR ZRO2 : ! ~~~~ Example references (10 of 13; assessments first): - [doi:10.1016/j.calphad.2004.09.002](https://doi.org/10.1016/j.calphad.2004.09.002) Chong Wang, Matvei Zinkevich, Fritz Aldinger, On the thermodynamic modeling of the Zr–O system, Calphad 28, 281-292 (2004). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/S0022-3115(98)00450-4](https://doi.org/10.1016/S0022-3115%2898%2900450-4) P.-Y. Chevalier, E. Fischer, J. Nucl. Mater., 257, 213-55(1998). _assessment that models this phase; cited as the source of values for this phase; reports values for this phase_ - [doi:10.1016/S0364-5916(02)00027-5](https://doi.org/10.1016/S0364-5916%2802%2900027-5) R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002). _assessment that models this phase; cited as the source of values for this phase; reports values for this phase_ - [doi:10.1016/j.jnucmat.2022.154180](https://doi.org/10.1016/j.jnucmat.2022.154180) Yueshan Jiang, Yanlin He, Weisen Zheng, Jianlei Zhang, Dekui Zhang, Xiaogang Lu, Thermodynamic analysis for molten corium stratification with U-Zr-O-Fe database, Journal of Nuclear Materials 574, 154180 (2023). _assessment that models this phase_ - [doi:10.1016/j.ssi.2004.02.017](https://doi.org/10.1016/j.ssi.2004.02.017) M CHEN, B HALLSTEDT, L GAUCKLER, Thermodynamic modeling of the ZrO2–YO1.5 system, Solid State Ionics 170, 255-274 (2004). _assessment that models this phase_ - [doi:10.1515/ijmr-2001-0140](https://doi.org/10.1515/ijmr-2001-0140) P. Liang, N. Dupin, S.G. Fries, H.J. Seifert, I. Ansara, H.L. Lukas, F. Aldinger, Z. Metallkd., 92, 747-56(2001). _assessment that models this phase_ - [doi:10.1007/bf02881546](https://doi.org/10.1007/bf02881546) J.P. Abriata, J. Garces, R. Versaci, Bull. Alloy Phase Diagr. 7 (1986) 116–124. _cited as the source of values for this phase_ - [doi:10.1016/0038-092x(66)90014-4](https://doi.org/10.1016/0038-092x%2866%2990014-4) Tetsuo Noguchi, Takeshi Kozuka, Heating curves of solids obtained by a solar furnace, Solar Energy 10, 203-206 (1966). _cited as the source of values for this phase_ - [doi:10.1002/zaac.19322040105](https://doi.org/10.1002/zaac.19322040105) P. Clausing, Über die Schmelzpunkte des Zirkonoxydes und des Hafniumoxydes, Z. Anorg. Allg. Chem. 204, 33-39 (1932). _cited as the source of values for this phase_ - [doi:10.1007/bf01591647](https://doi.org/10.1007/bf01591647) F. Henning, Der Schmelzpunkt des Hafniumoxydes, Naturwissenschaften 13, 661-661 (1925). _cited as the source of values for this phase_ ## O2GAS (O–Zr) - Id: `phase:o-zr:o2gas`; status `assigned` - Structure: gas; type `st:gas`; gas; confidence high - Stability: stable in 5 of 6 calculated diagram(s): 300–1185 K, x(O) 1–1 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:o-zr:o2gas) Names (8): _corpus: _corpus:phase:o-zr:o2gas _tdb: _tdb:ZrO-01Lia-LB.tdb:O2GAS, tdb:ZrO-02Arr.tdb:O2GAS, tdb:ZrO-04Che.tdb:O2GAS, tdb:ZrO-04Wan.tdb:O2GAS, tdb:ZrO-06Wan.tdb:O2GAS, tdb:ZrO-23Jia.tdb:O2GAS, tdb:ZrO-98Che.tdb:O2GAS ### TDB models of O2GAS (7): PHASE and CONSTITUENT statements as written [ZrO-01Lia-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-01Lia-LB.tdb): O2GAS, type code %, sha256 `6186bf8ce3a9c3fe…` ~~~~text 69: PHASE O2GAS % 1 1 ! 70: CONST O2GAS : O2 :! ~~~~ [ZrO-02Arr.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-02Arr.tdb): O2GAS, type code %, sha256 `7c8790ce3e67d37d…` ~~~~text 86: PHASE O2GAS % 1 1 ! 87: CONST O2GAS : O2 :! ~~~~ [ZrO-04Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Che.tdb): O2GAS, type code %, sha256 `4011828e6dc89604…` ~~~~text 68: PHASE O2GAS % 1 1 ! 69: CONST O2GAS : O2 :! ~~~~ [ZrO-04Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Wan.tdb): O2GAS, type code %, sha256 `b2c2da28b0434ca0…` ~~~~text 71: PHASE O2GAS % 1 1 ! 72: CONST O2GAS : O2 :! ~~~~ [ZrO-06Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-06Wan.tdb): O2GAS, type code %, sha256 `942aa0afdfa355d9…` ~~~~text 75: PHASE O2GAS % 1 1 ! 76: CONST O2GAS : O2 :! ~~~~ [ZrO-23Jia.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-23Jia.tdb): O2GAS, type code %, sha256 `46c69c633d1f2a3d…` ~~~~text 69: PHASE O2GAS % 1 1 ! 70: CONST O2GAS : O2 :! ~~~~ [ZrO-98Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-98Che.tdb): O2GAS, type code %, sha256 `96718081b9016929…` ~~~~text 71: PHASE O2GAS % 1 1 ! 72: CONST O2GAS : O2 :! ~~~~ Example references (6 of 6; assessments first): - [doi:10.1016/j.calphad.2004.09.002](https://doi.org/10.1016/j.calphad.2004.09.002) Chong Wang, Matvei Zinkevich, Fritz Aldinger, On the thermodynamic modeling of the Zr–O system, Calphad 28, 281-292 (2004). _assessment that models this phase_ - [doi:10.1016/j.jnucmat.2022.154180](https://doi.org/10.1016/j.jnucmat.2022.154180) Yueshan Jiang, Yanlin He, Weisen Zheng, Jianlei Zhang, Dekui Zhang, Xiaogang Lu, Thermodynamic analysis for molten corium stratification with U-Zr-O-Fe database, Journal of Nuclear Materials 574, 154180 (2023). _assessment that models this phase_ - [doi:10.1016/j.ssi.2004.02.017](https://doi.org/10.1016/j.ssi.2004.02.017) M CHEN, B HALLSTEDT, L GAUCKLER, Thermodynamic modeling of the ZrO2–YO1.5 system, Solid State Ionics 170, 255-274 (2004). _assessment that models this phase_ - [doi:10.1016/S0022-3115(98)00450-4](https://doi.org/10.1016/S0022-3115%2898%2900450-4) P.-Y. Chevalier, E. Fischer, J. Nucl. Mater., 257, 213-55(1998). _assessment that models this phase_ - [doi:10.1016/S0364-5916(02)00027-5](https://doi.org/10.1016/S0364-5916%2802%2900027-5) R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002). _assessment that models this phase_ - [doi:10.1515/ijmr-2001-0140](https://doi.org/10.1515/ijmr-2001-0140) P. Liang, N. Dupin, S.G. Fries, H.J. Seifert, I. Ansara, H.L. Lukas, F. Aldinger, Z. Metallkd., 92, 747-56(2001). _assessment that models this phase_ ## ZR2O (O–Zr) - Id: `phase:o-zr:zr2o`; status `assigned` - Structure: Cu2O · C3 · cP6 · Pn-3m (224); type `st:c3-cu2o-cp6`; 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_mp, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system - Stoichiometry: O 0.3333, Zr 0.6667 - Stability: stable in 1 of 1 calculated diagram(s): 300–646.66 K, x(O) 0.33333–0.33333 - Literature: 2 values (2 accepted) from 1 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:o-zr:zr2o) Names (3): _corpus: _corpus:phase:o-zr:zr2o _paper: _paper:10.1016/s0364-5916(02)00027-5:Zr2O _tdb: _tdb:ZrO-02Arr.tdb:ZR2O ### TDB models of ZR2O (1): PHASE and CONSTITUENT statements as written [ZrO-02Arr.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-02Arr.tdb): ZR2O, type code %, sha256 `7c8790ce3e67d37d…` ~~~~text 68: PHASE ZR2O % 2 2 1 ! 69: CONST ZR2O : ZR : O : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.1016/S0364-5916(02)00027-5](https://doi.org/10.1016/S0364-5916%2802%2900027-5) R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002). _assessment that models this phase; reports values for this phase_ ## ZR3O (O–Zr) - Id: `phase:o-zr:zr3o`; status `assigned` - Structure: Fe3N · hP8 · P6_322 (182); type `st:fe3n-hp8`; 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 (mp_oqmd_space_groups_differ, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system - Stoichiometry: O 0.2500, Zr 0.7500 - Stability: stable in 1 of 1 calculated diagram(s): 300–637.14 K, x(O) 0.25–0.25 - Literature: 2 values (2 accepted) from 1 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:o-zr:zr3o) Names (3): _corpus: _corpus:phase:o-zr:zr3o _paper: _paper:10.1016/s0364-5916(02)00027-5:Zr3O _tdb: _tdb:ZrO-02Arr.tdb:ZR3O ### TDB models of ZR3O (1): PHASE and CONSTITUENT statements as written [ZrO-02Arr.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-02Arr.tdb): ZR3O, type code %, sha256 `7c8790ce3e67d37d…` ~~~~text 63: PHASE ZR3O % 2 3 1 ! 64: CONST ZR3O : ZR : O : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.1016/S0364-5916(02)00027-5](https://doi.org/10.1016/S0364-5916%2802%2900027-5) R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002). _assessment that models this phase; reports values for this phase_ ## ZR6O (O–Zr) - Id: `phase:o-zr:zr6o`; status `needs_review` - No structure assigned. Why: no_on_hull_entry_in_mp; no_structure_token; sgte_mmc2_row_incomplete - Candidate (dft_oqmd): P-31c (163) — on-hull OQMD O1 Zr6 at x(ZR)=0.8571 - Candidate (sgte_mmc2): (Zr6O) — Hallstedt 2025 mmc2 row for ZR6O: Zr6O - Stoichiometry: O 0.1429, Zr 0.8571 - Stability: stable in 1 of 1 calculated diagram(s): 300–582.24 K, x(O) 0.14286–0.14286 - Literature: 2 values (2 accepted) from 1 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:o-zr:zr6o) Names (3): _corpus: _corpus:phase:o-zr:zr6o _paper: _paper:10.1016/s0364-5916(02)00027-5:Zr6O _tdb: _tdb:ZrO-02Arr.tdb:ZR6O ### TDB models of ZR6O (1): PHASE and CONSTITUENT statements as written [ZrO-02Arr.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-02Arr.tdb): ZR6O, type code %, sha256 `7c8790ce3e67d37d…` ~~~~text 58: PHASE ZR6O % 2 6 1 ! 59: CONST ZR6O : ZR : O : ! ~~~~ Example references (1 of 1; assessments first): - [doi:10.1016/S0364-5916(02)00027-5](https://doi.org/10.1016/S0364-5916%2802%2900027-5) R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002). _assessment that models this phase; reports values for this phase_ ## ZRO2_C1 (O–Zr) - Id: `phase:o-zr:zro2-c1`; status `assigned` - Structure: CaF2 · C1 · cF12 · Fm-3m (225); type `st:c1-caf2-cf12`; tier A: standard phase name; confidence high - Stability: stable in 4 of 4 calculated diagram(s): 1692.89–2984.22 K, x(O) 0.60342–0.67026 - Literature: 4 values (4 accepted) from 1 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:o-zr:zro2-c1) Names (6): _corpus: _corpus:phase:o-zr:zro2-c1 _paper: _paper:10.1016/s0364-5916(02)00027-5:γ ZrO2-x _tdb: _tdb:ZrO-01Lia-LB.tdb:ZRO2_C1, tdb:ZrO-02Arr.tdb:ZRO2_C1, tdb:ZrO-23Jia.tdb:ZRO2_C1, tdb:ZrO-98Che.tdb:ZRO2_C1 ### TDB models of ZRO2_C1 (4): PHASE and CONSTITUENT statements as written [ZrO-01Lia-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-01Lia-LB.tdb): ZRO2_C1, type code %, sha256 `6186bf8ce3a9c3fe…` ~~~~text 56: PHASE ZRO2_C1 % 2 1 2 ! 57: CONST ZRO2_C1 : ZR : O% VA : ! ~~~~ [ZrO-02Arr.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-02Arr.tdb): ZRO2_C1, type code %, sha256 `7c8790ce3e67d37d…` ~~~~text 73: PHASE ZRO2_C1:I % 2 1 2 ! 74: CONST ZRO2_C1:I : ZR : O% VA : ! ~~~~ [ZrO-23Jia.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-23Jia.tdb): ZRO2_C1, type code %, sha256 `46c69c633d1f2a3d…` ~~~~text 66: PHASE ZRO2_C1 % 1 1 ! 67: CONST ZRO2_C1 : ZR ZRO2 : ! ~~~~ [ZrO-98Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-98Che.tdb): ZRO2_C1, type code %, sha256 `96718081b9016929…` ~~~~text 68: PHASE ZRO2_C1 % 2 1 2 ! 69: CONST ZRO2_C1 : VA ZR : O VA : ! ~~~~ Example references (4 of 4; assessments first): - [doi:10.1016/S0364-5916(02)00027-5](https://doi.org/10.1016/S0364-5916%2802%2900027-5) R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002). _assessment that models this phase; reports values for this phase_ - [doi:10.1016/j.jnucmat.2022.154180](https://doi.org/10.1016/j.jnucmat.2022.154180) Yueshan Jiang, Yanlin He, Weisen Zheng, Jianlei Zhang, Dekui Zhang, Xiaogang Lu, Thermodynamic analysis for molten corium stratification with U-Zr-O-Fe database, Journal of Nuclear Materials 574, 154180 (2023). _assessment that models this phase_ - [doi:10.1016/S0022-3115(98)00450-4](https://doi.org/10.1016/S0022-3115%2898%2900450-4) P.-Y. Chevalier, E. Fischer, J. Nucl. Mater., 257, 213-55(1998). _assessment that models this phase_ - [doi:10.1515/ijmr-2001-0140](https://doi.org/10.1515/ijmr-2001-0140) P. Liang, N. Dupin, S.G. Fries, H.J. Seifert, I. Ansara, H.L. Lukas, F. Aldinger, Z. Metallkd., 92, 747-56(2001). _assessment that models this phase_ ## ZRO2_MONO (O–Zr) - Id: `phase:o-zr:zro2-mono`; status `assigned` - Structure: ZrO2-m · C43 · mP12 · P2_1/c (14); type `st:c43-zro2-m-mp12`; 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 (name_has_descriptive_tokens:MONO, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system - Stability: stable in 5 of 6 calculated diagram(s): 300–1503.73 K, x(O) 0.66664–0.66667 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:o-zr:zro2-mono) Names (8): _corpus: _corpus:phase:o-zr:zro2-mono _tdb: _tdb:ZrO-01Lia-LB.tdb:ZRO2_MONO, tdb:ZrO-02Arr.tdb:ZRO2_MONO, tdb:ZrO-04Che.tdb:ZRO2_MONO, tdb:ZrO-04Wan.tdb:ZRO2_MONO, tdb:ZrO-06Wan.tdb:ZRO2_MONO, tdb:ZrO-23Jia.tdb:ZRO2_MONO, tdb:ZrO-98Che.tdb:ZRO2_MONO ### TDB models of ZRO2_MONO (7): PHASE and CONSTITUENT statements as written [ZrO-01Lia-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-01Lia-LB.tdb): ZRO2_MONO, type code %, sha256 `6186bf8ce3a9c3fe…` ~~~~text 61: PHASE ZRO2_MONO % 2 1 2 ! 62: CONST ZRO2_MONO : ZR : O : ! ~~~~ [ZrO-02Arr.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-02Arr.tdb): ZRO2_MONO, type code %, sha256 `7c8790ce3e67d37d…` ~~~~text 78: PHASE ZRO2_MONO:I % 2 1 2 ! 79: CONST ZRO2_MONO:I : ZR : O% VA : ! ~~~~ [ZrO-04Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Che.tdb): ZRO2_MONO, type code %, sha256 `4011828e6dc89604…` ~~~~text 60: PHASE ZRO2_MONO:I % 2 1 2 ! 61: CONST ZRO2_MONO:I : ZR+4 : O-2 : ! ~~~~ [ZrO-04Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Wan.tdb): ZRO2_MONO, type code %, sha256 `b2c2da28b0434ca0…` ~~~~text 63: PHASE ZRO2_MONO:I % 2 1 2 ! 64: CONST ZRO2_MONO:I : ZR+4 : O-2 : ! ~~~~ [ZrO-06Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-06Wan.tdb): ZRO2_MONO, type code %, sha256 `942aa0afdfa355d9…` ~~~~text 67: PHASE ZRO2_MONO:I % 2 1 2 ! 68: CONST ZRO2_MONO:I : ZR+4 : O-2 : ! ~~~~ [ZrO-23Jia.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-23Jia.tdb): ZRO2_MONO, type code %, sha256 `46c69c633d1f2a3d…` ~~~~text 56: PHASE ZRO2_MONO % 2 1 2 ! 57: CONST ZRO2_MONO : ZR : O : ! ~~~~ [ZrO-98Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-98Che.tdb): ZRO2_MONO, type code %, sha256 `96718081b9016929…` ~~~~text 58: PHASE ZRO2_MONO % 2 1 2 ! 59: CONST ZRO2_MONO : ZR : O : ! ~~~~ Example references (6 of 6; assessments first): - [doi:10.1016/j.calphad.2004.09.002](https://doi.org/10.1016/j.calphad.2004.09.002) Chong Wang, Matvei Zinkevich, Fritz Aldinger, On the thermodynamic modeling of the Zr–O system, Calphad 28, 281-292 (2004). _assessment that models this phase_ - [doi:10.1016/j.jnucmat.2022.154180](https://doi.org/10.1016/j.jnucmat.2022.154180) Yueshan Jiang, Yanlin He, Weisen Zheng, Jianlei Zhang, Dekui Zhang, Xiaogang Lu, Thermodynamic analysis for molten corium stratification with U-Zr-O-Fe database, Journal of Nuclear Materials 574, 154180 (2023). _assessment that models this phase_ - [doi:10.1016/j.ssi.2004.02.017](https://doi.org/10.1016/j.ssi.2004.02.017) M CHEN, B HALLSTEDT, L GAUCKLER, Thermodynamic modeling of the ZrO2–YO1.5 system, Solid State Ionics 170, 255-274 (2004). _assessment that models this phase_ - [doi:10.1016/S0022-3115(98)00450-4](https://doi.org/10.1016/S0022-3115%2898%2900450-4) P.-Y. Chevalier, E. Fischer, J. Nucl. Mater., 257, 213-55(1998). _assessment that models this phase_ - [doi:10.1016/S0364-5916(02)00027-5](https://doi.org/10.1016/S0364-5916%2802%2900027-5) R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002). _assessment that models this phase_ - [doi:10.1515/ijmr-2001-0140](https://doi.org/10.1515/ijmr-2001-0140) P. Liang, N. Dupin, S.G. Fries, H.J. Seifert, I. Ansara, H.L. Lukas, F. Aldinger, Z. Metallkd., 92, 747-56(2001). _assessment that models this phase_ ## ZRO2_TETR (O–Zr) - Id: `phase:o-zr:zro2-tetr`; status `assigned` - Structure: HgI2 · tP6 · P4_2/nmc (137); type `st:hgi2-tp6`; 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 (name_has_descriptive_tokens:TETR, no_structure_token); structure as stated in the SGTE crystallographic table for this phase name and system - Stability: stable in 4 of 6 calculated diagram(s): 1465.32–2650.1 K, x(O) 0.66452–0.66667 - Literature: 0 values (0 accepted) from 0 papers - Interactive: [phase registry entry](https://orchid-project.org/phases/#phase:o-zr:zro2-tetr) Names (8): _corpus: _corpus:phase:o-zr:zro2-tetr _tdb: _tdb:ZrO-01Lia-LB.tdb:ZRO2_TETR, tdb:ZrO-02Arr.tdb:ZRO2_TETR, tdb:ZrO-04Che.tdb:ZRO2_TETR, tdb:ZrO-04Wan.tdb:ZRO2_TETR, tdb:ZrO-06Wan.tdb:ZRO2_TETR, tdb:ZrO-23Jia.tdb:ZRO2_TETR, tdb:ZrO-98Che.tdb:ZRO2_TETR ### TDB models of ZRO2_TETR (7): PHASE and CONSTITUENT statements as written [ZrO-01Lia-LB.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-01Lia-LB.tdb): ZRO2_TETR, type code %, sha256 `6186bf8ce3a9c3fe…` ~~~~text 66: PHASE ZRO2_TETR % 2 1 2 ! 67: CONST ZRO2_TETR : ZR : O : ! ~~~~ [ZrO-02Arr.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-02Arr.tdb): ZRO2_TETR, type code %, sha256 `7c8790ce3e67d37d…` ~~~~text 83: PHASE ZRO2_TETR:I % 2 1 2 ! 84: CONST ZRO2_TETR:I : ZR : O% VA : ! ~~~~ [ZrO-04Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Che.tdb): ZRO2_TETR, type code %, sha256 `4011828e6dc89604…` ~~~~text 65: PHASE ZRO2_TETR:I % 2 1 2 ! 66: CONST ZRO2_TETR:I : ZR+4 : O-2 : ! ~~~~ [ZrO-04Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-04Wan.tdb): ZRO2_TETR, type code %, sha256 `b2c2da28b0434ca0…` ~~~~text 68: PHASE ZRO2_TETR:I % 2 1 2 ! 69: CONST ZRO2_TETR:I : ZR+4 : O-2 : ! ~~~~ [ZrO-06Wan.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-06Wan.tdb): ZRO2_TETR, type code %, sha256 `942aa0afdfa355d9…` ~~~~text 72: PHASE ZRO2_TETR:I % 2 1 2 ! 73: CONST ZRO2_TETR:I : ZR+4 : O-2 : ! ~~~~ [ZrO-23Jia.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-23Jia.tdb): ZRO2_TETR, type code %, sha256 `46c69c633d1f2a3d…` ~~~~text 61: PHASE ZRO2_TETR % 2 1 2 ! 62: CONST ZRO2_TETR : ZR : O : ! ~~~~ [ZrO-98Che.tdb](https://orchid-project.org/data/databases/sgte-binary/ZrO-98Che.tdb): ZRO2_TETR, type code %, sha256 `96718081b9016929…` ~~~~text 63: PHASE ZRO2_TETR % 2 1 2 ! 64: CONST ZRO2_TETR : ZR : O : ! ~~~~ Example references (6 of 6; assessments first): - [doi:10.1016/j.calphad.2004.09.002](https://doi.org/10.1016/j.calphad.2004.09.002) Chong Wang, Matvei Zinkevich, Fritz Aldinger, On the thermodynamic modeling of the Zr–O system, Calphad 28, 281-292 (2004). _assessment that models this phase_ - [doi:10.1016/j.jnucmat.2022.154180](https://doi.org/10.1016/j.jnucmat.2022.154180) Yueshan Jiang, Yanlin He, Weisen Zheng, Jianlei Zhang, Dekui Zhang, Xiaogang Lu, Thermodynamic analysis for molten corium stratification with U-Zr-O-Fe database, Journal of Nuclear Materials 574, 154180 (2023). _assessment that models this phase_ - [doi:10.1016/j.ssi.2004.02.017](https://doi.org/10.1016/j.ssi.2004.02.017) M CHEN, B HALLSTEDT, L GAUCKLER, Thermodynamic modeling of the ZrO2–YO1.5 system, Solid State Ionics 170, 255-274 (2004). _assessment that models this phase_ - [doi:10.1016/S0022-3115(98)00450-4](https://doi.org/10.1016/S0022-3115%2898%2900450-4) P.-Y. Chevalier, E. Fischer, J. Nucl. Mater., 257, 213-55(1998). _assessment that models this phase_ - [doi:10.1016/S0364-5916(02)00027-5](https://doi.org/10.1016/S0364-5916%2802%2900027-5) R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002). _assessment that models this phase_ - [doi:10.1515/ijmr-2001-0140](https://doi.org/10.1515/ijmr-2001-0140) P. Liang, N. Dupin, S.G. Fries, H.J. Seifert, I. Ansara, H.L. Lukas, F. Aldinger, Z. Metallkd., 92, 747-56(2001). _assessment that models 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).