O–Zr phases

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 · full JSON · O–Zr system page · Markdown · field reference

Phases of the O–Zr system (15)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
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		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	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	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		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	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	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	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	gas	gas	stable in 5 of 6 calculated diagram(s): 300–1185 K, x(O) 1–1	0	7
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	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		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	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	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	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

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: BCC_A2, type code %B, sha256 6186bf8ce3a9c3fe…

45: PHASE BCC_A2 %B 2 1 3 !
46: CONST BCC_A2 : ZR : VA% O : !

ZrO-02Arr.tdb: BCC_A2, type code %B, sha256 7c8790ce3e67d37d…

48: PHASE BCC_A2 %B 2 1 3 !
49: CONST BCC_A2 : ZR : VA% O : !

ZrO-04Che.tdb: BCC_A2, type code %B, sha256 4011828e6dc89604…

45: PHASE BCC_A2 %B 2 1 1.5 !
46: CONST BCC_A2 : ZR : VA% O : !

ZrO-04Wan.tdb: BCC_A2, type code %B, sha256 b2c2da28b0434ca0…

48: PHASE BCC_A2 %B 2 1 1.5 !
49: CONST BCC_A2 : ZR : VA% O : !

ZrO-06Wan.tdb: BCC_A2, type code %B, sha256 942aa0afdfa355d9…

52: PHASE BCC_A2 %B 2 1 1 !
53: CONST BCC_A2 : ZR : VA% O : !

ZrO-23Jia.tdb: BCC_A2, type code %B, sha256 46c69c633d1f2a3d…

46: PHASE BCC_A2 %B 2 1 3 !
47: CONST BCC_A2 : ZR : VA% O : !

ZrO-98Che.tdb: BCC_A2, type code %B, sha256 96718081b9016929…

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 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 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 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 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 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 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 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 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 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 J. P. Coughlin, E. G. King, High-Temperature Heat Contents of Some Zirconium-containing Substances <sup>1</sup>, 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

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: FLUORITE_C1, type code %, sha256 4011828e6dc89604…

55: PHASE FLUORITE_C1:I % 2 1 2 !
56: CONST FLUORITE_C1:I : ZR ZR+4% : O-2 VA : !

ZrO-04Wan.tdb: FLUORITE_C1, type code %, sha256 b2c2da28b0434ca0…

58: PHASE FLUORITE_C1:I % 2 1 2 !
59: CONST FLUORITE_C1:I : ZR+2 ZR+4% : O-2 VA : !

ZrO-06Wan.tdb: FLUORITE_C1, type code %, sha256 942aa0afdfa355d9…

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 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 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 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

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: FCC_A1, type code %A, sha256 6186bf8ce3a9c3fe…

40: PHASE FCC_A1 %A 2 1 1 !
41: CONST FCC_A1 : ZR : VA% O : !

ZrO-02Arr.tdb: FCC_A1, type code %A, sha256 7c8790ce3e67d37d…

43: PHASE FCC_A1 %A 2 1 1 !
44: CONST FCC_A1 : ZR : VA% O : !

ZrO-04Che.tdb: FCC_A1, type code %A, sha256 4011828e6dc89604…

39: PHASE FCC_A1 %A 2 1 1 !
40: CONST FCC_A1 : ZR : VA% O : !

ZrO-04Wan.tdb: FCC_A1, type code %A, sha256 b2c2da28b0434ca0…

42: PHASE FCC_A1 %A 2 1 1 !
43: CONST FCC_A1 : ZR : VA% O : !

ZrO-06Wan.tdb: FCC_A1, type code %A, sha256 942aa0afdfa355d9…

46: PHASE FCC_A1 %A 2 1 1 !
47: CONST FCC_A1 : ZR : VA% O : !

ZrO-23Jia.tdb: FCC_A1, type code %A, sha256 46c69c633d1f2a3d…

41: PHASE FCC_A1 %A 2 1 1 !
42: CONST FCC_A1 : ZR : VA% O : !

ZrO-98Che.tdb: FCC_A1, type code %A, sha256 96718081b9016929…

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 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 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 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 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 R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002).
assessment that models this phase
doi: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

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: GAS, type code %, sha256 6186bf8ce3a9c3fe…

72: PHASE GAS:G % 1 1 !
73: CONST GAS:G : O O2 O3 ZR ZR2 ZRO ZRO2 : !

ZrO-02Arr.tdb: GAS, type code %, sha256 7c8790ce3e67d37d…

89: PHASE GAS:G % 1 1 !
90: CONST GAS:G : O O2 O3 ZR ZR2 ZRO ZRO2 : !

ZrO-04Che.tdb: GAS, type code %, sha256 4011828e6dc89604…

71: PHASE GAS:G % 1 1 !
72: CONST GAS:G : O O2 O3 ZR ZR2 ZRO ZRO2 : !

ZrO-04Wan.tdb: GAS, type code %, sha256 b2c2da28b0434ca0…

74: PHASE GAS:G % 1 1 !
75: CONST GAS:G : O O2 O3 ZR ZR2 ZRO ZRO2 : !

ZrO-06Wan.tdb: GAS, type code %, sha256 942aa0afdfa355d9…

78: PHASE GAS:G % 1 1 !
79: CONST GAS:G : O O2 O3 ZR ZR2 ZRO ZRO2 : !

ZrO-23Jia.tdb: GAS, type code %, sha256 46c69c633d1f2a3d…

72: PHASE GAS:G % 1 1 !
73: CONST GAS:G : O O2 O3 ZR ZR2 ZRO ZRO2 : !

ZrO-98Che.tdb: GAS, type code %, sha256 96718081b9016929…

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 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 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 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 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 R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002).
assessment that models this phase
doi: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

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: HCP_3ORD, type code %A, sha256 6186bf8ce3a9c3fe…

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 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

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: HCP_A3, type code %A, sha256 7c8790ce3e67d37d…

53: PHASE HCP_A3 %A 2 1 0.5 !
54: CONST HCP_A3 : ZR : VA% O : !

ZrO-04Che.tdb: HCP_A3, type code %A, sha256 4011828e6dc89604…

50: PHASE HCP_A3 %A 2 1 0.5 !
51: CONST HCP_A3 : ZR : VA% O : !

ZrO-04Wan.tdb: HCP_A3, type code %A, sha256 b2c2da28b0434ca0…

53: PHASE HCP_A3 %A 2 1 0.5 !
54: CONST HCP_A3 : ZR : VA% O : !

ZrO-06Wan.tdb: HCP_A3, type code %A, sha256 942aa0afdfa355d9…

57: PHASE HCP_A3 %A 2 1 0.5 !
58: CONST HCP_A3 : ZR : VA% O : !

ZrO-23Jia.tdb: HCP_A3, type code %A, sha256 46c69c633d1f2a3d…

51: PHASE HCP_A3 %A 2 1 2 !
52: CONST HCP_A3 : ZR : VA% O : !

ZrO-98Che.tdb: HCP_A3, type code %A, sha256 96718081b9016929…

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 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 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 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 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 P.-Y. Chevalier, E. Fischer, J. Nucl. Mater., 257, 213-55(1998).
assessment that models this phase
doi: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

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: ION, type code %, sha256 6186bf8ce3a9c3fe…

32: PHASE ION:Y % 2 1 1 !
33: CONST ION:Y : ZR+4 : O-2 VA O : !

ZrO-02Arr.tdb: ION, type code %, sha256 7c8790ce3e67d37d…

35: PHASE ION:Y % 2 1 1 !
36: CONST ION:Y : ZR+4 : O-2 VA : !

ZrO-04Che.tdb: ION, type code %, sha256 4011828e6dc89604…

31: PHASE ION:Y % 2 1 1 !
32: CONST ION:Y : ZR+4 : O-2 VA : !

ZrO-04Wan.tdb: ION, type code %, sha256 b2c2da28b0434ca0…

34: PHASE ION:Y % 2 1 1 !
35: CONST ION:Y : ZR+4 : O-2 VA : !

ZrO-06Wan.tdb: ION, type code %, sha256 942aa0afdfa355d9…

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 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 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 R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002).
assessment that models this phase
doi: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

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: LIQUID, type code %, sha256 6186bf8ce3a9c3fe…

35: PHASE LIQUID:L % 1 1 !
36: CONST LIQUID:L : ZR : !

ZrO-02Arr.tdb: LIQUID, type code %, sha256 7c8790ce3e67d37d…

38: PHASE LIQUID:L % 1 1 !
39: CONST LIQUID:L : ZR : !

ZrO-04Che.tdb: LIQUID, type code %, sha256 4011828e6dc89604…

34: PHASE LIQUID:L % 1 1 !
35: CONST LIQUID:L : ZR : !

ZrO-04Wan.tdb: LIQUID, type code %, sha256 b2c2da28b0434ca0…

37: PHASE LIQUID:L % 1 1 !
38: CONST LIQUID:L : ZR : !

ZrO-06Wan.tdb: LIQUID, type code %, sha256 942aa0afdfa355d9…

41: PHASE LIQUID:L % 1 1 !
42: CONST LIQUID:L : ZR : !

ZrO-23Jia.tdb: LIQUID, type code %, sha256 46c69c633d1f2a3d…

36: PHASE LIQUID:L % 1 1 !
37: CONST LIQUID:L : O ZR ZRO2 : !

ZrO-98Che.tdb: LIQUID, type code %, sha256 96718081b9016929…

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 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 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 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 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 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 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 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 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 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 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

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: O2GAS, type code %, sha256 6186bf8ce3a9c3fe…

69: PHASE O2GAS % 1 1 !
70: CONST O2GAS : O2 :!

ZrO-02Arr.tdb: O2GAS, type code %, sha256 7c8790ce3e67d37d…

86: PHASE O2GAS % 1 1 !
87: CONST O2GAS : O2 :!

ZrO-04Che.tdb: O2GAS, type code %, sha256 4011828e6dc89604…

68: PHASE O2GAS % 1 1 !
69: CONST O2GAS : O2 :!

ZrO-04Wan.tdb: O2GAS, type code %, sha256 b2c2da28b0434ca0…

71: PHASE O2GAS % 1 1 !
72: CONST O2GAS : O2 :!

ZrO-06Wan.tdb: O2GAS, type code %, sha256 942aa0afdfa355d9…

75: PHASE O2GAS % 1 1 !
76: CONST O2GAS : O2 :!

ZrO-23Jia.tdb: O2GAS, type code %, sha256 46c69c633d1f2a3d…

69: PHASE O2GAS % 1 1 !
70: CONST O2GAS : O2 :!

ZrO-98Che.tdb: O2GAS, type code %, sha256 96718081b9016929…

71: PHASE O2GAS % 1 1 !
72: CONST O2GAS : O2 :!

Example references (6 of 6; assessments first):

doi: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 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 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 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 R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002).
assessment that models this phase
doi: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
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

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: ZR2O, type code %, sha256 7c8790ce3e67d37d…

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 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
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

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: ZR3O, type code %, sha256 7c8790ce3e67d37d…

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 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

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: ZR6O, type code %, sha256 7c8790ce3e67d37d…

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 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

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: ZRO2_C1, type code %, sha256 6186bf8ce3a9c3fe…

56: PHASE ZRO2_C1 % 2 1 2 !
57: CONST ZRO2_C1 : ZR : O% VA : !

ZrO-02Arr.tdb: ZRO2_C1, type code %, sha256 7c8790ce3e67d37d…

73: PHASE ZRO2_C1:I % 2 1 2 !
74: CONST ZRO2_C1:I : ZR : O% VA : !

ZrO-23Jia.tdb: ZRO2_C1, type code %, sha256 46c69c633d1f2a3d…

66: PHASE ZRO2_C1 % 1 1 !
67: CONST ZRO2_C1 : ZR ZRO2 : !

ZrO-98Che.tdb: ZRO2_C1, type code %, sha256 96718081b9016929…

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 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 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 P.-Y. Chevalier, E. Fischer, J. Nucl. Mater., 257, 213-55(1998).
assessment that models this phase
doi: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
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

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: ZRO2_MONO, type code %, sha256 6186bf8ce3a9c3fe…

61: PHASE ZRO2_MONO % 2 1 2 !
62: CONST ZRO2_MONO : ZR : O : !

ZrO-02Arr.tdb: ZRO2_MONO, type code %, sha256 7c8790ce3e67d37d…

78: PHASE ZRO2_MONO:I % 2 1 2 !
79: CONST ZRO2_MONO:I : ZR : O% VA : !

ZrO-04Che.tdb: ZRO2_MONO, type code %, sha256 4011828e6dc89604…

60: PHASE ZRO2_MONO:I % 2 1 2 !
61: CONST ZRO2_MONO:I : ZR+4 : O-2 : !

ZrO-04Wan.tdb: ZRO2_MONO, type code %, sha256 b2c2da28b0434ca0…

63: PHASE ZRO2_MONO:I % 2 1 2 !
64: CONST ZRO2_MONO:I : ZR+4 : O-2 : !

ZrO-06Wan.tdb: ZRO2_MONO, type code %, sha256 942aa0afdfa355d9…

67: PHASE ZRO2_MONO:I % 2 1 2 !
68: CONST ZRO2_MONO:I : ZR+4 : O-2 : !

ZrO-23Jia.tdb: ZRO2_MONO, type code %, sha256 46c69c633d1f2a3d…

56: PHASE ZRO2_MONO % 2 1 2 !
57: CONST ZRO2_MONO : ZR : O : !

ZrO-98Che.tdb: ZRO2_MONO, type code %, sha256 96718081b9016929…

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 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 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 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 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 R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002).
assessment that models this phase
doi: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
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

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: ZRO2_TETR, type code %, sha256 6186bf8ce3a9c3fe…

66: PHASE ZRO2_TETR % 2 1 2 !
67: CONST ZRO2_TETR : ZR : O : !

ZrO-02Arr.tdb: ZRO2_TETR, type code %, sha256 7c8790ce3e67d37d…

83: PHASE ZRO2_TETR:I % 2 1 2 !
84: CONST ZRO2_TETR:I : ZR : O% VA : !

ZrO-04Che.tdb: ZRO2_TETR, type code %, sha256 4011828e6dc89604…

65: PHASE ZRO2_TETR:I % 2 1 2 !
66: CONST ZRO2_TETR:I : ZR+4 : O-2 : !

ZrO-04Wan.tdb: ZRO2_TETR, type code %, sha256 b2c2da28b0434ca0…

68: PHASE ZRO2_TETR:I % 2 1 2 !
69: CONST ZRO2_TETR:I : ZR+4 : O-2 : !

ZrO-06Wan.tdb: ZRO2_TETR, type code %, sha256 942aa0afdfa355d9…

72: PHASE ZRO2_TETR:I % 2 1 2 !
73: CONST ZRO2_TETR:I : ZR+4 : O-2 : !

ZrO-23Jia.tdb: ZRO2_TETR, type code %, sha256 46c69c633d1f2a3d…

61: PHASE ZRO2_TETR % 2 1 2 !
62: CONST ZRO2_TETR : ZR : O : !

ZrO-98Che.tdb: ZRO2_TETR, type code %, sha256 96718081b9016929…

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 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 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 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 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 R. Arroyave, L. Kaufman, T.W. Eagar, Calphad, 26, 95-118(2002).
assessment that models this phase
doi: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). 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}
}