Fe–Zr phases

12 phases (tier A 10, liquid 1, needs_review 1); 11 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 · Fe–Zr system page · Markdown · field reference

Phases of the Fe–Zr system (12)
Phase	Structure	Basis	Stability (calculated)	Literature values	TDB models
BCC_A2 phase:fe-zr:bcc-a2	W · A2 · cI2 · Im-3m (229)	tier A: standard phase name	stable in 12 of 12 calculated diagram(s): 300–3999.1 K, x(Zr) 0–1	116	12
C14_LAVES phase:fe-zr:c14-laves	MgZn2 · C14 · hP12 · P6_3/mmc (194)	tier A: standard phase name	not stable in 2 calculated diagram(s)	0	2
C15_LAVES phase:fe-zr:c15-laves	Cu2Mg · C15 · cF24 · Fd-3m (227)	tier A: standard phase name	stable in 12 of 12 calculated diagram(s): 300–1968.52 K, x(Zr) 0.25773–0.35948	104	12
C36_LAVES phase:fe-zr:c36-laves	MgNi2 · C36 · hP24 · P6_3/mmc (194)	tier A: standard phase name	stable in 3 of 4 calculated diagram(s): 1521.73–1630.2 K, x(Zr) 0.22742–0.26831	0	4
FCC_A1 phase:fe-zr:fcc-a1	Cu · A1 · cF4 · Fm-3m (225)	tier A: standard phase name	stable in 12 of 12 calculated diagram(s): 1092.32–1756.47 K, x(Zr) 0–0.02094	78	12
FE147ZR53_C36 phase:fe-zr:fe147zr53-c36		needs_review	stable in 2 of 2 calculated diagram(s): 1473.98–1632.81 K, x(Zr) 0.265–0.265	0	2
FE23ZR6_D8A phase:fe-zr:fe23zr6-d8a	Mn23Th6 · D8_a · cF116 · Fm-3m (225)	tier A: standard phase name	stable in 7 of 7 calculated diagram(s): 300–1758.88 K, x(Zr) 0.20534–0.20712	83	7
FE3ZR_C36 phase:fe-zr:fe3zr-c36	MgNi2 · C36 · hP24 · P6_3/mmc (194)	tier A: standard phase name	stable in 3 of 3 calculated diagram(s): 1512.92–1634.79 K, x(Zr) 0.24613–0.27365	0	3
FEZR2_C16 phase:fe-zr:fezr2-c16	Al2Cu · C16 · tI12 · I4/mcm (140)	tier A: standard phase name	stable in 12 of 12 calculated diagram(s): 300–1238.36 K, x(Zr) 0.65682–0.69656	72	12
FEZR3_E1A phase:fe-zr:fezr3-e1a	Re3B · E1_a · oC16 · Cmcm (63)	tier A: standard phase name	stable in 12 of 12 calculated diagram(s): 300–1203.55 K, x(Zr) 0.74513–0.76618	66	12
HCP_A3 phase:fe-zr:hcp-a3	Mg · A3 · hP2 · P6_3/mmc (194)	tier A: standard phase name	stable in 12 of 12 calculated diagram(s): 300–2124.86 K, x(Zr) 0.99559–1	34	12
LIQUID phase:fe-zr:liquid	liquid	liquid	stable in 12 of 12 calculated diagram(s): 1187.62–4000 K, x(Zr) 0–1	121	12

BCC_A2 (Fe–Zr)

Id: phase:fe-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 12 of 12 calculated diagram(s): 300–3999.1 K, x(Zr) 0–1
Literature: 116 values (116 accepted) from 5 papers
Interactive: phase registry entry

Names (24): corpus: corpus:phase:fe-zr:bcc-a2
paper: paper:10.1007/s42243-021-00570-w:bcc(Fe), paper:10.1007/s42243-021-00570-w:bcc(Zr), paper:10.1016/0925-8388(94)06036-3:Fe - b.c.c., paper:10.1016/0925-8388(94)06036-3:Zr - b.c.c., paper:10.1016/j.calphad.2008.08.007:bcc, paper:10.1016/j.calphad.2008.08.007:bcc(Fe), paper:10.1016/j.intermet.2017.05.008:bcc-Fe, paper:10.1016/j.intermet.2017.05.008:bcc-Zr, paper:10.1361/105497101770332965:αFe, paper:10.1361/105497101770332965:βZr, paper:10.1361/105497101770332965:δFe
tdb: tdb:FeZr-01Jia.tdb:BCC_A2, tdb:FeZr-03Che-LB.tdb:BCC_A2, tdb:FeZr-08Guo.tdb:BCC_A2, tdb:FeZr-09Rig.tdb:BCC_A2, tdb:FeZr-13Yan.tdb:BCC_A2, tdb:FeZr-17Gie.tdb:BCC_A2, tdb:FeZr-17Lu.tdb:BCC_A2, tdb:FeZr-19Sae.tdb:BCC_A2, tdb:FeZr-20Laf.tdb:BCC_A2, tdb:FeZr-21Du.tdb:BCC_A2, tdb:FeZr-22Jia.tdb:BCC_A2, tdb:FeZr-95Ser.tdb:BCC_A2

TDB models of BCC_A2 (12): PHASE and CONSTITUENT statements as written

FeZr-01Jia.tdb: BCC_A2, type code %B, sha256 82597d9f70589708…

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

FeZr-03Che-LB.tdb: BCC_A2, type code %B, sha256 4815da4ea0f42db7…

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

FeZr-08Guo.tdb: BCC_A2, type code %B, sha256 032b601cee938711…

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

FeZr-09Rig.tdb: BCC_A2, type code %B, sha256 381f03fcdbf9e0b3…

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

FeZr-13Yan.tdb: BCC_A2, type code %B, sha256 b8e00f14b0c00270…

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

FeZr-17Gie.tdb: BCC_A2, type code %B, sha256 a18e81844ee810d8…

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

FeZr-17Lu.tdb: BCC_A2, type code %B, sha256 18d66199776033b5…

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

FeZr-19Sae.tdb: BCC_A2, type code %B, sha256 6a4533b5c68b993c…

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

FeZr-20Laf.tdb: BCC_A2, type code %B, sha256 6a211aad300aad81…

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

FeZr-21Du.tdb: BCC_A2, type code %B, sha256 c84ad0d489433682…

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

FeZr-22Jia.tdb: BCC_A2, type code %B, sha256 6049093dc81e9e93…

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

FeZr-95Ser.tdb: BCC_A2, type code %B, sha256 e624544e068d2ae2…

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

Example references (10 of 19; assessments first):

doi:10.1361/105497101770332965 M. Jiang, K. Oikawa, T. Ikeshoji, L. Wulff, K. Ishida, Thermodynamic calculations of Fe-Zr and Fe-Zr-C systems, JPE 22, 406-417 (2001).
assessment that models this phase; reports values for this phase
doi:10.1016/0925-8388(94)06036-3 C. Servant, C. Gueneau, I. Ansara, Experimental and thermodynamic assessment of the FeZr system, Journal of Alloys and Compounds 220, 19-26 (1995).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1007/s42243-021-00570-w Ze-ting Du, Lei Zou, Cui-ping Guo, Xue-ping Ren, Chang-rong Li, Phase stability of Fe23Zr6 and thermodynamic reassessment of Fe–Zr system, J. Iron Steel Res. Int. 28, 1375-1389 (2021).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2008.08.007 Cuiping Guo, Zhenmin Du, Changrong Li, Baoliang Zhang, Mei Tao, Thermodynamic description of the Al–Fe–Zr system, Calphad 32, 637-649 (2008).
assessment that models this phase; reports values for this phase
doi:10.1016/j.intermet.2017.05.008 Hai-Jin Lu, Nan Zou, Xu-Shan Zhao, Jian-Yun Shen, Xiao-Gang Lu, Yan-Lin He, Thermodynamic investigation of the Zr-Fe-Nb system and its applications, Intermetallics 88, 91-100 (2017).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2009.05.003 Vincent Rigaud, Bo Sundman, Dominique Daloz, Gérard Lesoult, Thermodynamic assessment of the Fe–Al–Zr phase diagram, Calphad 33, 442-449 (2009).
assessment that models this phase
doi:10.1016/j.calphad.2019.05.002 I. Saenko, A. Kuprava, A. Udovsky, O. Fabrichnaya, Calphad, 66, 101625(2019).
assessment that models this phase
doi:10.1016/j.calphad.2022.102419 Y. Jiang, Y. Zhang, D. Zhang, Y. He, W. Zheng, R. Liu, Calphad, 77, 102419(2022).
assessment that models this phase
doi:10.1016/j.jallcom.2019.153200 Paul Lafaye, Caroline Toffolon-Masclet, Jean-Claude Crivello, Jean-Marc Joubert, Thermodynamic modelling of the Fe–Sn–Zr system based on new experiments and first-principles calculations, Journal of Alloys and Compounds 821, 153200 (2020).
assessment that models this phase
doi:10.1016/j.jnucmat.2013.05.061 Ying Yang, Lizhen Tan, Hongbin Bei, Jeremy T. Busby, Thermodynamic modeling and experimental study of the Fe–Cr–Zr system, Journal of Nuclear Materials 441, 190-202 (2013).
assessment that models this phase

C14_LAVES (Fe–Zr)

Id: phase:fe-zr:c14-laves; status assigned
Structure: MgZn2 · C14 · hP12 · P6_3/mmc (194); type st:c14-mgzn2-hp12; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in FeZr-17Lu.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-22Jia.tdb also describes the disordered state
Stability: not stable in 2 calculated diagram(s)
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:fe-zr:c14-laves
tdb: tdb:FeZr-17Lu.tdb:C14_LAVES, tdb:FeZr-22Jia.tdb:C14_LAVES

TDB models of C14_LAVES (2): PHASE and CONSTITUENT statements as written

FeZr-17Lu.tdb: C14_LAVES, type code %A, sha256 18d66199776033b5…

64: PHASE C14_LAVES %A 2 2 1 !
65: CONST C14_LAVES : FE% ZR : FE ZR% : !

FeZr-22Jia.tdb: C14_LAVES, type code %, sha256 6049093dc81e9e93…

62: PHASE C14_LAVES % 2 2 1 !
63: CONST C14_LAVES : FE% ZR : FE ZR% : !

Example references (2 of 2; assessments first):

doi:10.1016/j.calphad.2022.102419 Y. Jiang, Y. Zhang, D. Zhang, Y. He, W. Zheng, R. Liu, Calphad, 77, 102419(2022).
assessment that models this phase
doi:10.1016/j.intermet.2017.05.008 Hai-Jin Lu, Nan Zou, Xu-Shan Zhao, Jian-Yun Shen, Xiao-Gang Lu, Yan-Lin He, Thermodynamic investigation of the Zr-Fe-Nb system and its applications, Intermetallics 88, 91-100 (2017).
assessment that models this phase

C15_LAVES (Fe–Zr)

Id: phase:fe-zr:c15-laves; status assigned
Structure: Cu2Mg · C15 · cF24 · Fd-3m (227); type st:c15-cu2mg-cf24; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in FeZr-01Jia.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-03Che-LB.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-08Guo.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-09Rig.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-13Yan.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-17Gie.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-17Lu.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-19Sae.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-20Laf.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-21Du.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-22Jia.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-95Ser.tdb also describes the disordered state
Stability: stable in 12 of 12 calculated diagram(s): 300–1968.52 K, x(Zr) 0.25773–0.35948
Literature: 104 values (104 accepted) from 4 papers
Interactive: phase registry entry

Names (19): corpus: corpus:phase:fe-zr:c15-laves
paper: paper:10.1007/s42243-021-00570-w:Fe2Zr, paper:10.1007/s42243-021-00570-w:hex.-Fe2Zr, paper:10.1016/0925-8388(94)06036-3:Fe2Zr, paper:10.1016/j.calphad.2008.08.007:Fe2Zr, paper:10.1016/j.calphad.2008.08.007:hex.-Fe2Zr, paper:10.1361/105497101770332965:Fe2Zr
tdb: tdb:FeZr-01Jia.tdb:C15_LAVES, tdb:FeZr-03Che-LB.tdb:C15_LAVES, tdb:FeZr-08Guo.tdb:C15_LAVES, tdb:FeZr-09Rig.tdb:C15_LAVES, tdb:FeZr-13Yan.tdb:C15_LAVES, tdb:FeZr-17Gie.tdb:C15_LAVES, tdb:FeZr-17Lu.tdb:C15_LAVES, tdb:FeZr-19Sae.tdb:C15_LAVES, tdb:FeZr-20Laf.tdb:C15_LAVES, tdb:FeZr-21Du.tdb:C15_LAVES, tdb:FeZr-22Jia.tdb:C15_LAVES, tdb:FeZr-95Ser.tdb:C15_LAVES

TDB models of C15_LAVES (12): PHASE and CONSTITUENT statements as written

FeZr-01Jia.tdb: C15_LAVES, type code %, sha256 82597d9f70589708…

51: PHASE C15_LAVES % 2 2 1 !
52: CONST C15_LAVES : FE% ZR : FE ZR% : !

FeZr-03Che-LB.tdb: C15_LAVES, type code %, sha256 4815da4ea0f42db7…

49: PHASE C15_LAVES % 2 2 1 !
50: CONST C15_LAVES : FE% ZR : FE ZR% : !

FeZr-08Guo.tdb: C15_LAVES, type code %A, sha256 032b601cee938711…

53: PHASE C15_LAVES %A 2 2 1 !
54: CONST C15_LAVES : FE% ZR : FE ZR% : !

FeZr-09Rig.tdb: C15_LAVES, type code %, sha256 381f03fcdbf9e0b3…

49: PHASE C15_LAVES % 2 2 1 !
50: CONST C15_LAVES : FE% ZR : FE ZR% : !

FeZr-13Yan.tdb: C15_LAVES, type code %A, sha256 b8e00f14b0c00270…

52: PHASE C15_LAVES %A 2 2 1 !
53: CONST C15_LAVES : FE% ZR : FE ZR% : !

FeZr-17Gie.tdb: C15_LAVES, type code %, sha256 a18e81844ee810d8…

50: PHASE C15_LAVES % 2 2 1 !
51: CONST C15_LAVES : FE% ZR : FE ZR% : !

FeZr-17Lu.tdb: C15_LAVES, type code %A, sha256 18d66199776033b5…

59: PHASE C15_LAVES %A 2 2 1 !
60: CONST C15_LAVES : FE% ZR : FE ZR% : !

FeZr-19Sae.tdb: C15_LAVES, type code %A, sha256 6a4533b5c68b993c…

55: PHASE C15_LAVES %A 2 2 1 !
56: CONST C15_LAVES : FE% ZR : FE ZR% : !

FeZr-20Laf.tdb: C15_LAVES, type code %A, sha256 6a211aad300aad81…

48: PHASE C15_LAVES %A 2 2 1 !
49: CONST C15_LAVES : FE% ZR : FE ZR% : !

FeZr-21Du.tdb: C15_LAVES, type code %A, sha256 c84ad0d489433682…

61: PHASE C15_LAVES %A 2 2 1 !
62: CONST C15_LAVES : FE% ZR : FE ZR% : !

FeZr-22Jia.tdb: C15_LAVES, type code %A, sha256 6049093dc81e9e93…

57: PHASE C15_LAVES %A 2 2 1 !
58: CONST C15_LAVES : FE% ZR : FE ZR% : !

FeZr-95Ser.tdb: C15_LAVES, type code %, sha256 e624544e068d2ae2…

49: PHASE C15_LAVES % 2 2 1 !
50: CONST C15_LAVES : FE% ZR : FE ZR% : !

Example references (10 of 18; assessments first):

doi:10.1007/s42243-021-00570-w Ze-ting Du, Lei Zou, Cui-ping Guo, Xue-ping Ren, Chang-rong Li, Phase stability of Fe23Zr6 and thermodynamic reassessment of Fe–Zr system, J. Iron Steel Res. Int. 28, 1375-1389 (2021).
assessment that models this phase; reports values for this phase
doi:10.1361/105497101770332965 M. Jiang, K. Oikawa, T. Ikeshoji, L. Wulff, K. Ishida, Thermodynamic calculations of Fe-Zr and Fe-Zr-C systems, JPE 22, 406-417 (2001).
assessment that models this phase; reports values for this phase
doi:10.1016/0925-8388(94)06036-3 C. Servant, C. Gueneau, I. Ansara, Experimental and thermodynamic assessment of the FeZr system, Journal of Alloys and Compounds 220, 19-26 (1995).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1016/j.calphad.2008.08.007 Cuiping Guo, Zhenmin Du, Changrong Li, Baoliang Zhang, Mei Tao, Thermodynamic description of the Al–Fe–Zr system, Calphad 32, 637-649 (2008).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2009.05.003 Vincent Rigaud, Bo Sundman, Dominique Daloz, Gérard Lesoult, Thermodynamic assessment of the Fe–Al–Zr phase diagram, Calphad 33, 442-449 (2009).
assessment that models this phase
doi:10.1016/j.calphad.2019.05.002 I. Saenko, A. Kuprava, A. Udovsky, O. Fabrichnaya, Calphad, 66, 101625(2019).
assessment that models this phase
doi:10.1016/j.calphad.2022.102419 Y. Jiang, Y. Zhang, D. Zhang, Y. He, W. Zheng, R. Liu, Calphad, 77, 102419(2022).
assessment that models this phase
doi:10.1016/j.intermet.2017.05.008 Hai-Jin Lu, Nan Zou, Xu-Shan Zhao, Jian-Yun Shen, Xiao-Gang Lu, Yan-Lin He, Thermodynamic investigation of the Zr-Fe-Nb system and its applications, Intermetallics 88, 91-100 (2017).
assessment that models this phase
doi:10.1016/j.jallcom.2019.153200 Paul Lafaye, Caroline Toffolon-Masclet, Jean-Claude Crivello, Jean-Marc Joubert, Thermodynamic modelling of the Fe–Sn–Zr system based on new experiments and first-principles calculations, Journal of Alloys and Compounds 821, 153200 (2020).
assessment that models this phase
doi:10.1016/j.jnucmat.2013.05.061 Ying Yang, Lizhen Tan, Hongbin Bei, Jeremy T. Busby, Thermodynamic modeling and experimental study of the Fe–Cr–Zr system, Journal of Nuclear Materials 441, 190-202 (2013).
assessment that models this phase

C36_LAVES (Fe–Zr)

Id: phase:fe-zr:c36-laves; status assigned
Structure: MgNi2 · C36 · hP24 · P6_3/mmc (194); type st:c36-mgni2-hp24; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in FeZr-13Yan.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-17Lu.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-20Laf.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-22Jia.tdb also describes the disordered state
Stability: stable in 3 of 4 calculated diagram(s): 1521.73–1630.2 K, x(Zr) 0.22742–0.26831
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (5): corpus: corpus:phase:fe-zr:c36-laves
tdb: tdb:FeZr-13Yan.tdb:C36_LAVES, tdb:FeZr-17Lu.tdb:C36_LAVES, tdb:FeZr-20Laf.tdb:C36_LAVES, tdb:FeZr-22Jia.tdb:C36_LAVES

TDB models of C36_LAVES (4): PHASE and CONSTITUENT statements as written

FeZr-13Yan.tdb: C36_LAVES, type code %, sha256 b8e00f14b0c00270…

47: PHASE C36_LAVES % 2 2 1 !
48: CONST C36_LAVES : FE% ZR : FE ZR% : !

FeZr-17Lu.tdb: C36_LAVES, type code %, sha256 18d66199776033b5…

54: PHASE C36_LAVES % 2 2 1 !
55: CONST C36_LAVES : FE% ZR : FE ZR% : !

FeZr-20Laf.tdb: C36_LAVES, type code %, sha256 6a211aad300aad81…

43: PHASE C36_LAVES % 3 4 4 16 !
44: CONST C36_LAVES : FE ZR : FE ZR : FE ZR : !

FeZr-22Jia.tdb: C36_LAVES, type code %, sha256 6049093dc81e9e93…

52: PHASE C36_LAVES % 2 2 1 !
53: CONST C36_LAVES : FE% ZR : FE ZR% : !

Example references (4 of 4; assessments first):

doi:10.1016/j.calphad.2022.102419 Y. Jiang, Y. Zhang, D. Zhang, Y. He, W. Zheng, R. Liu, Calphad, 77, 102419(2022).
assessment that models this phase
doi:10.1016/j.intermet.2017.05.008 Hai-Jin Lu, Nan Zou, Xu-Shan Zhao, Jian-Yun Shen, Xiao-Gang Lu, Yan-Lin He, Thermodynamic investigation of the Zr-Fe-Nb system and its applications, Intermetallics 88, 91-100 (2017).
assessment that models this phase
doi:10.1016/j.jallcom.2019.153200 Paul Lafaye, Caroline Toffolon-Masclet, Jean-Claude Crivello, Jean-Marc Joubert, Thermodynamic modelling of the Fe–Sn–Zr system based on new experiments and first-principles calculations, Journal of Alloys and Compounds 821, 153200 (2020).
assessment that models this phase
doi:10.1016/j.jnucmat.2013.05.061 Ying Yang, Lizhen Tan, Hongbin Bei, Jeremy T. Busby, Thermodynamic modeling and experimental study of the Fe–Cr–Zr system, Journal of Nuclear Materials 441, 190-202 (2013).
assessment that models this phase

FCC_A1 (Fe–Zr)

Id: phase:fe-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: stable in 12 of 12 calculated diagram(s): 1092.32–1756.47 K, x(Zr) 0–0.02094
Literature: 78 values (78 accepted) from 5 papers
Interactive: phase registry entry

Names (18): corpus: corpus:phase:fe-zr:fcc-a1
paper: paper:10.1007/s42243-021-00570-w:fcc(Fe), paper:10.1016/0925-8388(94)06036-3:Fe - f.c.c., paper:10.1016/j.calphad.2008.08.007:fcc, paper:10.1016/j.intermet.2017.05.008:fcc-Fe, paper:10.1361/105497101770332965:γFe
tdb: tdb:FeZr-01Jia.tdb:FCC_A1, tdb:FeZr-03Che-LB.tdb:FCC_A1, tdb:FeZr-08Guo.tdb:FCC_A1, tdb:FeZr-09Rig.tdb:FCC_A1, tdb:FeZr-13Yan.tdb:FCC_A1, tdb:FeZr-17Gie.tdb:FCC_A1, tdb:FeZr-17Lu.tdb:FCC_A1, tdb:FeZr-19Sae.tdb:FCC_A1, tdb:FeZr-20Laf.tdb:FCC_A1, tdb:FeZr-21Du.tdb:FCC_A1, tdb:FeZr-22Jia.tdb:FCC_A1, tdb:FeZr-95Ser.tdb:FCC_A1

TDB models of FCC_A1 (12): PHASE and CONSTITUENT statements as written

FeZr-01Jia.tdb: FCC_A1, type code %A, sha256 82597d9f70589708…

31: PHASE FCC_A1 %A 2 1 1 !
32: CONST FCC_A1 : FE% ZR : VA : !

FeZr-03Che-LB.tdb: FCC_A1, type code %A, sha256 4815da4ea0f42db7…

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

FeZr-08Guo.tdb: FCC_A1, type code %A, sha256 032b601cee938711…

33: PHASE FCC_A1 %A 2 1 1 !
34: CONST FCC_A1 : FE% ZR : VA : !

FeZr-09Rig.tdb: FCC_A1, type code %A, sha256 381f03fcdbf9e0b3…

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

FeZr-13Yan.tdb: FCC_A1, type code %A, sha256 b8e00f14b0c00270…

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

FeZr-17Gie.tdb: FCC_A1, type code %A, sha256 a18e81844ee810d8…

30: PHASE FCC_A1 %A 2 1 1 !
31: CONST FCC_A1 : FE% ZR : VA : !

FeZr-17Lu.tdb: FCC_A1, type code %A, sha256 18d66199776033b5…

34: PHASE FCC_A1 %A 2 1 1 !
35: CONST FCC_A1 : FE% ZR : VA : !

FeZr-19Sae.tdb: FCC_A1, type code %A, sha256 6a4533b5c68b993c…

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

FeZr-20Laf.tdb: FCC_A1, type code %A, sha256 6a211aad300aad81…

28: PHASE FCC_A1 %A 2 1 1 !
29: CONST FCC_A1 : FE% ZR : VA : !

FeZr-21Du.tdb: FCC_A1, type code %A, sha256 c84ad0d489433682…

36: PHASE FCC_A1 %A 2 1 1 !
37: CONST FCC_A1 : FE% ZR : VA : !

FeZr-22Jia.tdb: FCC_A1, type code %A, sha256 6049093dc81e9e93…

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

FeZr-95Ser.tdb: FCC_A1, type code %A, sha256 e624544e068d2ae2…

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

Example references (10 of 15; assessments first):

doi:10.1361/105497101770332965 M. Jiang, K. Oikawa, T. Ikeshoji, L. Wulff, K. Ishida, Thermodynamic calculations of Fe-Zr and Fe-Zr-C systems, JPE 22, 406-417 (2001).
assessment that models this phase; reports values for this phase
doi:10.1007/s42243-021-00570-w Ze-ting Du, Lei Zou, Cui-ping Guo, Xue-ping Ren, Chang-rong Li, Phase stability of Fe23Zr6 and thermodynamic reassessment of Fe–Zr system, J. Iron Steel Res. Int. 28, 1375-1389 (2021).
assessment that models this phase; reports values for this phase
doi:10.1016/0925-8388(94)06036-3 C. Servant, C. Gueneau, I. Ansara, Experimental and thermodynamic assessment of the FeZr system, Journal of Alloys and Compounds 220, 19-26 (1995).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1016/j.calphad.2008.08.007 Cuiping Guo, Zhenmin Du, Changrong Li, Baoliang Zhang, Mei Tao, Thermodynamic description of the Al–Fe–Zr system, Calphad 32, 637-649 (2008).
assessment that models this phase; reports values for this phase
doi:10.1016/j.intermet.2017.05.008 Hai-Jin Lu, Nan Zou, Xu-Shan Zhao, Jian-Yun Shen, Xiao-Gang Lu, Yan-Lin He, Thermodynamic investigation of the Zr-Fe-Nb system and its applications, Intermetallics 88, 91-100 (2017).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2009.05.003 Vincent Rigaud, Bo Sundman, Dominique Daloz, Gérard Lesoult, Thermodynamic assessment of the Fe–Al–Zr phase diagram, Calphad 33, 442-449 (2009).
assessment that models this phase
doi:10.1016/j.calphad.2019.05.002 I. Saenko, A. Kuprava, A. Udovsky, O. Fabrichnaya, Calphad, 66, 101625(2019).
assessment that models this phase
doi:10.1016/j.calphad.2022.102419 Y. Jiang, Y. Zhang, D. Zhang, Y. He, W. Zheng, R. Liu, Calphad, 77, 102419(2022).
assessment that models this phase
doi:10.1016/j.jallcom.2019.153200 Paul Lafaye, Caroline Toffolon-Masclet, Jean-Claude Crivello, Jean-Marc Joubert, Thermodynamic modelling of the Fe–Sn–Zr system based on new experiments and first-principles calculations, Journal of Alloys and Compounds 821, 153200 (2020).
assessment that models this phase
doi:10.1016/j.jnucmat.2013.05.061 Ying Yang, Lizhen Tan, Hongbin Bei, Jeremy T. Busby, Thermodynamic modeling and experimental study of the Fe–Cr–Zr system, Journal of Nuclear Materials 441, 190-202 (2013).
assessment that models this phase

FE147ZR53_C36 (Fe–Zr)

Id: phase:fe-zr:fe147zr53-c36; status needs_review
No structure assigned. Why: assessment_declared_blocked_by:stoichiometry_contradicts_C36; stoichiometry_contradicts_C36:FeZr-03Che-LB.tdb; stoichiometry_contradicts_C36:FeZr-09Rig.tdb
Candidate (name_token): MgNi2 · C36 · hP24 · P6_3/mmc (194) — Strukturbericht/word 'C36' in the TDB name
Candidate (sgte_mmc2): MgNi2 · C36 · hP24 · P6_3/mmc (194) — Hallstedt 2025 mmc2 row for FE147ZR53_C36: Fe147Zr53
Candidate (tdb_comment): MgNi2 · hP24 · P6_3/mmc — FeZr-03Che-LB.tdb: 'Prototype MgNi2 (hP24, P6_3/mmc)'
Candidate (tdb_comment): MgNi2 · hP24 · P6_3/mmc — FeZr-09Rig.tdb: 'Prototype MgNi2 (hP24, P6_3/mmc)'
Stoichiometry: Fe 0.7350, Zr 0.2650
Stability: stable in 2 of 2 calculated diagram(s): 1473.98–1632.81 K, x(Zr) 0.265–0.265
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (3): corpus: corpus:phase:fe-zr:fe147zr53-c36
tdb: tdb:FeZr-03Che-LB.tdb:FE147ZR53_C36, tdb:FeZr-09Rig.tdb:FE147ZR53_C36

TDB models of FE147ZR53_C36 (2): PHASE and CONSTITUENT statements as written

FeZr-03Che-LB.tdb: FE147ZR53_C36, type code %, sha256 4815da4ea0f42db7…

44: PHASE FE147ZR53_C36 % 2 147 53 !
45: CONST FE147ZR53_C36 : FE : ZR : !

FeZr-09Rig.tdb: FE147ZR53_C36, type code %, sha256 381f03fcdbf9e0b3…

44: PHASE FE147ZR53_C36 % 2 147 53 !
45: CONST FE147ZR53_C36 : FE : ZR : !

Example references (1 of 1; assessments first):

doi:10.1016/j.calphad.2009.05.003 Vincent Rigaud, Bo Sundman, Dominique Daloz, Gérard Lesoult, Thermodynamic assessment of the Fe–Al–Zr phase diagram, Calphad 33, 442-449 (2009).
assessment that models this phase

FE23ZR6_D8A (Fe–Zr)

Id: phase:fe-zr:fe23zr6-d8a; status assigned
Structure: Mn23Th6 · D8_a · cF116 · Fm-3m (225); type st:d8-a-mn23th6-cf116; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in FeZr-17Lu.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-22Jia.tdb also describes the disordered state
Stability: stable in 7 of 7 calculated diagram(s): 300–1758.88 K, x(Zr) 0.20534–0.20712
Literature: 83 values (83 accepted) from 4 papers
Interactive: phase registry entry

Names (12): corpus: corpus:phase:fe-zr:fe23zr6-d8a
paper: paper:10.1007/s42243-021-00570-w:Fe23Zr6, paper:10.1016/0925-8388(94)06036-3:Fe23Zr6, paper:10.1016/j.intermet.2017.05.008:Fe23Zr6, paper:10.1361/105497101770332965:Fe23Zr6
tdb: tdb:FeZr-01Jia.tdb:FE23ZR6_D8A, tdb:FeZr-13Yan.tdb:FE23ZR6_D8A, tdb:FeZr-17Gie.tdb:FE23ZR6_D8A, tdb:FeZr-17Lu.tdb:FE23ZR6_D8A, tdb:FeZr-21Du.tdb:FE23ZR6_D8A, tdb:FeZr-22Jia.tdb:FE23ZR6_D8A, tdb:FeZr-95Ser.tdb:FE23ZR6_D8A

TDB models of FE23ZR6_D8A (7): PHASE and CONSTITUENT statements as written

FeZr-01Jia.tdb: FE23ZR6_D8A, type code %, sha256 82597d9f70589708…

46: PHASE FE23ZR6_D8A % 2 23 6 !
47: CONST FE23ZR6_D8A : FE : ZR : !

FeZr-13Yan.tdb: FE23ZR6_D8A, type code %, sha256 b8e00f14b0c00270…

67: PHASE FE23ZR6_D8A % 2 23 6 !
68: CONST FE23ZR6_D8A : FE : ZR : !

FeZr-17Gie.tdb: FE23ZR6_D8A, type code %, sha256 a18e81844ee810d8…

45: PHASE FE23ZR6_D8A % 2 23 6 !
46: CONST FE23ZR6_D8A : FE : ZR : !

FeZr-17Lu.tdb: FE23ZR6_D8A, type code %, sha256 18d66199776033b5…

49: PHASE FE23ZR6_D8A % 2 23 6 !
50: CONST FE23ZR6_D8A : FE% ZR : FE ZR% : !

FeZr-21Du.tdb: FE23ZR6_D8A, type code %, sha256 c84ad0d489433682…

51: PHASE FE23ZR6_D8A % 2 23 6 !
52: CONST FE23ZR6_D8A : FE : ZR : !

FeZr-22Jia.tdb: FE23ZR6_D8A, type code %, sha256 6049093dc81e9e93…

47: PHASE FE23ZR6_D8A % 2 23 6 !
48: CONST FE23ZR6_D8A : FE% ZR : FE ZR% : !

FeZr-95Ser.tdb: FE23ZR6_D8A, type code %, sha256 e624544e068d2ae2…

44: PHASE FE23ZR6_D8A % 2 23 6 !
45: CONST FE23ZR6_D8A : FE : ZR : !

Example references (10 of 12; assessments first):

doi:10.1007/s42243-021-00570-w Ze-ting Du, Lei Zou, Cui-ping Guo, Xue-ping Ren, Chang-rong Li, Phase stability of Fe23Zr6 and thermodynamic reassessment of Fe–Zr system, J. Iron Steel Res. Int. 28, 1375-1389 (2021).
assessment that models this phase; reports values for this phase
doi:10.1361/105497101770332965 M. Jiang, K. Oikawa, T. Ikeshoji, L. Wulff, K. Ishida, Thermodynamic calculations of Fe-Zr and Fe-Zr-C systems, JPE 22, 406-417 (2001).
assessment that models this phase; reports values for this phase
doi:10.1016/0925-8388(94)06036-3 C. Servant, C. Gueneau, I. Ansara, Experimental and thermodynamic assessment of the FeZr system, Journal of Alloys and Compounds 220, 19-26 (1995).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1016/j.intermet.2017.05.008 Hai-Jin Lu, Nan Zou, Xu-Shan Zhao, Jian-Yun Shen, Xiao-Gang Lu, Yan-Lin He, Thermodynamic investigation of the Zr-Fe-Nb system and its applications, Intermetallics 88, 91-100 (2017).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2022.102419 Y. Jiang, Y. Zhang, D. Zhang, Y. He, W. Zheng, R. Liu, Calphad, 77, 102419(2022).
assessment that models this phase
doi:10.1016/j.jnucmat.2013.05.061 Ying Yang, Lizhen Tan, Hongbin Bei, Jeremy T. Busby, Thermodynamic modeling and experimental study of the Fe–Cr–Zr system, Journal of Nuclear Materials 441, 190-202 (2013).
assessment that models this phase
doi:10.1557/jmr.2017.78 Wojciech Gierlotka, Cho-yu Lee, Thermodynamic description of hydrogen storage materials Cr–Ti–Zr and Fe–Ti–Zr, J. Mater. Res. 32, 1386-1396 (2017).
assessment that models this phase
doi:10.1007/bf02648490 K. Mahdouk, J. C. Gachon, Investigation of the iron-rich corner of the Fe-Hf-Zr system, JPE 17, 218-227 (1996).
cited as the source of values for this phase
doi:10.1007/bf02669163 H. Okamoto, Fe-Zr (iron-zirconium), JPE 14, 652-653 (1993).
cited as the source of values for this phase
doi:10.1016/0022-3115(93)90176-y A.D. Pelton, L. Leibowitz, R.A. Blomquist, Thermodynamic analysis of phase equilibria in the iron—zirconium system, Journal of Nuclear Materials 201, 218-224 (1993).
cited as the source of values for this phase

FE3ZR_C36 (Fe–Zr)

Id: phase:fe-zr:fe3zr-c36; status assigned
Structure: MgNi2 · C36 · hP24 · P6_3/mmc (194); type st:c36-mgni2-hp24; tier A: standard phase name; confidence high
Stability: stable in 3 of 3 calculated diagram(s): 1512.92–1634.79 K, x(Zr) 0.24613–0.27365
Literature: 0 values (0 accepted) from 0 papers
Interactive: phase registry entry

Names (4): corpus: corpus:phase:fe-zr:fe3zr-c36
tdb: tdb:FeZr-08Guo.tdb:FE3ZR_C36, tdb:FeZr-19Sae.tdb:FE3ZR_C36, tdb:FeZr-21Du.tdb:FE3ZR_C36

TDB models of FE3ZR_C36 (3): PHASE and CONSTITUENT statements as written

FeZr-08Guo.tdb: FE3ZR_C36, type code %, sha256 032b601cee938711…

48: PHASE FE3ZR_C36 % 2 2 1 !
49: CONST FE3ZR_C36 : FE : FE ZR% : !

FeZr-19Sae.tdb: FE3ZR_C36, type code %, sha256 6a4533b5c68b993c…

50: PHASE FE3ZR_C36 % 2 2 1 !
51: CONST FE3ZR_C36 : FE : FE ZR% : !

FeZr-21Du.tdb: FE3ZR_C36, type code %, sha256 c84ad0d489433682…

56: PHASE FE3ZR_C36 % 2 2 1 !
57: CONST FE3ZR_C36 : FE : FE ZR% : !

Example references (3 of 3; assessments first):

doi:10.1007/s42243-021-00570-w Ze-ting Du, Lei Zou, Cui-ping Guo, Xue-ping Ren, Chang-rong Li, Phase stability of Fe23Zr6 and thermodynamic reassessment of Fe–Zr system, J. Iron Steel Res. Int. 28, 1375-1389 (2021).
assessment that models this phase
doi:10.1016/j.calphad.2008.08.007 Cuiping Guo, Zhenmin Du, Changrong Li, Baoliang Zhang, Mei Tao, Thermodynamic description of the Al–Fe–Zr system, Calphad 32, 637-649 (2008).
assessment that models this phase
doi:10.1016/j.calphad.2019.05.002 I. Saenko, A. Kuprava, A. Udovsky, O. Fabrichnaya, Calphad, 66, 101625(2019).
assessment that models this phase

FEZR2_C16 (Fe–Zr)

Id: phase:fe-zr:fezr2-c16; status assigned
Structure: Al2Cu · C16 · tI12 · I4/mcm (140); type st:c16-al2cu-ti12; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in FeZr-01Jia.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-13Yan.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-20Laf.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-95Ser.tdb also describes the disordered state
Stability: stable in 12 of 12 calculated diagram(s): 300–1238.36 K, x(Zr) 0.65682–0.69656
Literature: 72 values (72 accepted) from 5 papers
Interactive: phase registry entry

Names (18): corpus: corpus:phase:fe-zr:fezr2-c16
paper: paper:10.1007/s42243-021-00570-w:FeZr2, paper:10.1016/0925-8388(94)06036-3:FeZr2, paper:10.1016/j.calphad.2008.08.007:FeZr2, paper:10.1016/j.jnucmat.2013.05.061:FeZr2, paper:10.1361/105497101770332965:FeZr2
tdb: tdb:FeZr-01Jia.tdb:FEZR2_C16, tdb:FeZr-03Che-LB.tdb:FEZR2_C16, tdb:FeZr-08Guo.tdb:FEZR2_C16, tdb:FeZr-09Rig.tdb:FEZR2_C16, tdb:FeZr-13Yan.tdb:FEZR2_C16, tdb:FeZr-17Gie.tdb:FEZR2_C16, tdb:FeZr-17Lu.tdb:FEZR2_C16, tdb:FeZr-19Sae.tdb:FEZR2_C16, tdb:FeZr-20Laf.tdb:FEZR2_C16, tdb:FeZr-21Du.tdb:FEZR2_C16, tdb:FeZr-22Jia.tdb:FEZR2_C16, tdb:FeZr-95Ser.tdb:FEZR2_C16

TDB models of FEZR2_C16 (12): PHASE and CONSTITUENT statements as written

FeZr-01Jia.tdb: FEZR2_C16, type code %, sha256 82597d9f70589708…

56: PHASE FEZR2_C16 % 2 1 2 !
57: CONST FEZR2_C16 : FE% ZR : FE ZR% : !

FeZr-03Che-LB.tdb: FEZR2_C16, type code %, sha256 4815da4ea0f42db7…

54: PHASE FEZR2_C16 % 2 1 2 !
55: CONST FEZR2_C16 : FE : ZR : !

FeZr-08Guo.tdb: FEZR2_C16, type code %, sha256 032b601cee938711…

58: PHASE FEZR2_C16 % 2 1 2 !
59: CONST FEZR2_C16 : FE% ZR : ZR : !

FeZr-09Rig.tdb: FEZR2_C16, type code %, sha256 381f03fcdbf9e0b3…

54: PHASE FEZR2_C16 % 2 1 2 !
55: CONST FEZR2_C16 : FE : ZR : !

FeZr-13Yan.tdb: FEZR2_C16, type code %, sha256 b8e00f14b0c00270…

57: PHASE FEZR2_C16 % 2 1 2 !
58: CONST FEZR2_C16 : FE% ZR : FE ZR% : !

FeZr-17Gie.tdb: FEZR2_C16, type code %, sha256 a18e81844ee810d8…

55: PHASE FEZR2_C16 % 2 1 2 !
56: CONST FEZR2_C16 : FE : ZR : !

FeZr-17Lu.tdb: FEZR2_C16, type code %, sha256 18d66199776033b5…

69: PHASE FEZR2_C16 % 2 1 2 !
70: CONST FEZR2_C16 : FE% ZR : ZR : !

FeZr-19Sae.tdb: FEZR2_C16, type code %, sha256 6a4533b5c68b993c…

60: PHASE FEZR2_C16 % 2 1 2 !
61: CONST FEZR2_C16 : FE : ZR : !

FeZr-20Laf.tdb: FEZR2_C16, type code %, sha256 6a211aad300aad81…

53: PHASE FEZR2_C16 % 2 1 2 !
54: CONST FEZR2_C16 : FE% ZR : FE ZR% : !

FeZr-21Du.tdb: FEZR2_C16, type code %, sha256 c84ad0d489433682…

66: PHASE FEZR2_C16 % 2 1 2 !
67: CONST FEZR2_C16 : FE% ZR : ZR : !

FeZr-22Jia.tdb: FEZR2_C16, type code %, sha256 6049093dc81e9e93…

67: PHASE FEZR2_C16 % 2 1 2 !
68: CONST FEZR2_C16 : FE% ZR : ZR : !

FeZr-95Ser.tdb: FEZR2_C16, type code %, sha256 e624544e068d2ae2…

54: PHASE FEZR2_C16 % 2 1 2 !
55: CONST FEZR2_C16 : FE% ZR : FE ZR% : !

Example references (10 of 16; assessments first):

doi:10.1361/105497101770332965 M. Jiang, K. Oikawa, T. Ikeshoji, L. Wulff, K. Ishida, Thermodynamic calculations of Fe-Zr and Fe-Zr-C systems, JPE 22, 406-417 (2001).
assessment that models this phase; reports values for this phase
doi:10.1016/0925-8388(94)06036-3 C. Servant, C. Gueneau, I. Ansara, Experimental and thermodynamic assessment of the FeZr system, Journal of Alloys and Compounds 220, 19-26 (1995).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1007/s42243-021-00570-w Ze-ting Du, Lei Zou, Cui-ping Guo, Xue-ping Ren, Chang-rong Li, Phase stability of Fe23Zr6 and thermodynamic reassessment of Fe–Zr system, J. Iron Steel Res. Int. 28, 1375-1389 (2021).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2008.08.007 Cuiping Guo, Zhenmin Du, Changrong Li, Baoliang Zhang, Mei Tao, Thermodynamic description of the Al–Fe–Zr system, Calphad 32, 637-649 (2008).
assessment that models this phase; reports values for this phase
doi:10.1016/j.jnucmat.2013.05.061 Ying Yang, Lizhen Tan, Hongbin Bei, Jeremy T. Busby, Thermodynamic modeling and experimental study of the Fe–Cr–Zr system, Journal of Nuclear Materials 441, 190-202 (2013).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2009.05.003 Vincent Rigaud, Bo Sundman, Dominique Daloz, Gérard Lesoult, Thermodynamic assessment of the Fe–Al–Zr phase diagram, Calphad 33, 442-449 (2009).
assessment that models this phase
doi:10.1016/j.calphad.2019.05.002 I. Saenko, A. Kuprava, A. Udovsky, O. Fabrichnaya, Calphad, 66, 101625(2019).
assessment that models this phase
doi:10.1016/j.calphad.2022.102419 Y. Jiang, Y. Zhang, D. Zhang, Y. He, W. Zheng, R. Liu, Calphad, 77, 102419(2022).
assessment that models this phase
doi:10.1016/j.intermet.2017.05.008 Hai-Jin Lu, Nan Zou, Xu-Shan Zhao, Jian-Yun Shen, Xiao-Gang Lu, Yan-Lin He, Thermodynamic investigation of the Zr-Fe-Nb system and its applications, Intermetallics 88, 91-100 (2017).
assessment that models this phase
doi:10.1016/j.jallcom.2019.153200 Paul Lafaye, Caroline Toffolon-Masclet, Jean-Claude Crivello, Jean-Marc Joubert, Thermodynamic modelling of the Fe–Sn–Zr system based on new experiments and first-principles calculations, Journal of Alloys and Compounds 821, 153200 (2020).
assessment that models this phase

FEZR3_E1A (Fe–Zr)

Id: phase:fe-zr:fezr3-e1a; status assigned
Structure: Re3B · E1_a · oC16 · Cmcm (63); type st:e1-a-re3b-oc16; tier A: standard phase name; confidence high
Caveat: partitioned order/disorder model in FeZr-01Jia.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-08Guo.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-13Yan.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-17Gie.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-17Lu.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-20Laf.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-21Du.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-22Jia.tdb also describes the disordered state
Caveat: partitioned order/disorder model in FeZr-95Ser.tdb also describes the disordered state
Stability: stable in 12 of 12 calculated diagram(s): 300–1203.55 K, x(Zr) 0.74513–0.76618
Literature: 66 values (66 accepted) from 6 papers
Interactive: phase registry entry

Names (19): corpus: corpus:phase:fe-zr:fezr3-e1a
paper: paper:10.1007/s42243-021-00570-w:FeZr3, paper:10.1016/0925-8388(94)06036-3:FeZr3, paper:10.1016/j.calphad.2008.08.007:FeZr3, paper:10.1016/j.intermet.2017.05.008:FeZr3, paper:10.1016/j.jnucmat.2013.05.061:FeZr3, paper:10.1361/105497101770332965:FeZr3
tdb: tdb:FeZr-01Jia.tdb:FEZR3_E1A, tdb:FeZr-03Che-LB.tdb:FEZR3_E1A, tdb:FeZr-08Guo.tdb:FEZR3_E1A, tdb:FeZr-09Rig.tdb:FEZR3_E1A, tdb:FeZr-13Yan.tdb:FEZR3_E1A, tdb:FeZr-17Gie.tdb:FEZR3_E1A, tdb:FeZr-17Lu.tdb:FEZR3_E1A, tdb:FeZr-19Sae.tdb:FEZR3_E1A, tdb:FeZr-20Laf.tdb:FEZR3_E1A, tdb:FeZr-21Du.tdb:FEZR3_E1A, tdb:FeZr-22Jia.tdb:FEZR3_E1A, tdb:FeZr-95Ser.tdb:FEZR3_E1A

TDB models of FEZR3_E1A (12): PHASE and CONSTITUENT statements as written

FeZr-01Jia.tdb: FEZR3_E1A, type code %, sha256 82597d9f70589708…

61: PHASE FEZR3_E1A % 2 1 3 !
62: CONST FEZR3_E1A : FE% ZR : FE ZR% : !

FeZr-03Che-LB.tdb: FEZR3_E1A, type code %, sha256 4815da4ea0f42db7…

59: PHASE FEZR3_E1A % 2 1 3 !
60: CONST FEZR3_E1A : FE : ZR : !

FeZr-08Guo.tdb: FEZR3_E1A, type code %, sha256 032b601cee938711…

63: PHASE FEZR3_E1A % 2 1 3 !
64: CONST FEZR3_E1A : FE% ZR : FE ZR% : !

FeZr-09Rig.tdb: FEZR3_E1A, type code %, sha256 381f03fcdbf9e0b3…

59: PHASE FEZR3_E1A % 2 1 3 !
60: CONST FEZR3_E1A : FE : ZR : !

FeZr-13Yan.tdb: FEZR3_E1A, type code %, sha256 b8e00f14b0c00270…

62: PHASE FEZR3_E1A % 2 1 3 !
63: CONST FEZR3_E1A : FE% ZR : FE ZR% : !

FeZr-17Gie.tdb: FEZR3_E1A, type code %, sha256 a18e81844ee810d8…

60: PHASE FEZR3_E1A % 2 1 3 !
61: CONST FEZR3_E1A : FE% ZR : FE ZR% : !

FeZr-17Lu.tdb: FEZR3_E1A, type code %, sha256 18d66199776033b5…

74: PHASE FEZR3_E1A % 2 1 3 !
75: CONST FEZR3_E1A : FE% ZR : FE ZR% : !

FeZr-19Sae.tdb: FEZR3_E1A, type code %, sha256 6a4533b5c68b993c…

65: PHASE FEZR3_E1A % 2 1 3 !
66: CONST FEZR3_E1A : FE : ZR : !

FeZr-20Laf.tdb: FEZR3_E1A, type code %, sha256 6a211aad300aad81…

58: PHASE FEZR3_E1A % 2 1 3 !
59: CONST FEZR3_E1A : FE% ZR : FE ZR% : !

FeZr-21Du.tdb: FEZR3_E1A, type code %, sha256 c84ad0d489433682…

71: PHASE FEZR3_E1A % 2 1 3 !
72: CONST FEZR3_E1A : FE% ZR : FE ZR% : !

FeZr-22Jia.tdb: FEZR3_E1A, type code %, sha256 6049093dc81e9e93…

72: PHASE FEZR3_E1A % 2 1 3 !
73: CONST FEZR3_E1A : FE% ZR : FE ZR% : !

FeZr-95Ser.tdb: FEZR3_E1A, type code %, sha256 e624544e068d2ae2…

59: PHASE FEZR3_E1A % 2 1 3 !
60: CONST FEZR3_E1A : FE% ZR : FE ZR% : !

Example references (10 of 18; assessments first):

doi:10.1361/105497101770332965 M. Jiang, K. Oikawa, T. Ikeshoji, L. Wulff, K. Ishida, Thermodynamic calculations of Fe-Zr and Fe-Zr-C systems, JPE 22, 406-417 (2001).
assessment that models this phase; reports values for this phase
doi:10.1016/0925-8388(94)06036-3 C. Servant, C. Gueneau, I. Ansara, Experimental and thermodynamic assessment of the FeZr system, Journal of Alloys and Compounds 220, 19-26 (1995).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1007/s42243-021-00570-w Ze-ting Du, Lei Zou, Cui-ping Guo, Xue-ping Ren, Chang-rong Li, Phase stability of Fe23Zr6 and thermodynamic reassessment of Fe–Zr system, J. Iron Steel Res. Int. 28, 1375-1389 (2021).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2008.08.007 Cuiping Guo, Zhenmin Du, Changrong Li, Baoliang Zhang, Mei Tao, Thermodynamic description of the Al–Fe–Zr system, Calphad 32, 637-649 (2008).
assessment that models this phase; reports values for this phase
doi:10.1016/j.jnucmat.2013.05.061 Ying Yang, Lizhen Tan, Hongbin Bei, Jeremy T. Busby, Thermodynamic modeling and experimental study of the Fe–Cr–Zr system, Journal of Nuclear Materials 441, 190-202 (2013).
assessment that models this phase; reports values for this phase
doi:10.1016/j.intermet.2017.05.008 Hai-Jin Lu, Nan Zou, Xu-Shan Zhao, Jian-Yun Shen, Xiao-Gang Lu, Yan-Lin He, Thermodynamic investigation of the Zr-Fe-Nb system and its applications, Intermetallics 88, 91-100 (2017).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2009.05.003 Vincent Rigaud, Bo Sundman, Dominique Daloz, Gérard Lesoult, Thermodynamic assessment of the Fe–Al–Zr phase diagram, Calphad 33, 442-449 (2009).
assessment that models this phase
doi:10.1016/j.calphad.2019.05.002 I. Saenko, A. Kuprava, A. Udovsky, O. Fabrichnaya, Calphad, 66, 101625(2019).
assessment that models this phase
doi:10.1016/j.calphad.2022.102419 Y. Jiang, Y. Zhang, D. Zhang, Y. He, W. Zheng, R. Liu, Calphad, 77, 102419(2022).
assessment that models this phase
doi:10.1016/j.jallcom.2019.153200 Paul Lafaye, Caroline Toffolon-Masclet, Jean-Claude Crivello, Jean-Marc Joubert, Thermodynamic modelling of the Fe–Sn–Zr system based on new experiments and first-principles calculations, Journal of Alloys and Compounds 821, 153200 (2020).
assessment that models this phase

HCP_A3 (Fe–Zr)

Id: phase:fe-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 12 of 12 calculated diagram(s): 300–2124.86 K, x(Zr) 0.99559–1
Literature: 34 values (34 accepted) from 5 papers
Interactive: phase registry entry

Names (18): corpus: corpus:phase:fe-zr:hcp-a3
paper: paper:10.1007/s42243-021-00570-w:hcp(Zr), paper:10.1016/0925-8388(94)06036-3:Zr - h.c.p., paper:10.1016/j.calphad.2008.08.007:hcp, paper:10.1016/j.intermet.2017.05.008:hcp-Zr, paper:10.1361/105497101770332965:αZr
tdb: tdb:FeZr-01Jia.tdb:HCP_A3, tdb:FeZr-03Che-LB.tdb:HCP_A3, tdb:FeZr-08Guo.tdb:HCP_A3, tdb:FeZr-09Rig.tdb:HCP_A3, tdb:FeZr-13Yan.tdb:HCP_A3, tdb:FeZr-17Gie.tdb:HCP_A3, tdb:FeZr-17Lu.tdb:HCP_A3, tdb:FeZr-19Sae.tdb:HCP_A3, tdb:FeZr-20Laf.tdb:HCP_A3, tdb:FeZr-21Du.tdb:HCP_A3, tdb:FeZr-22Jia.tdb:HCP_A3, tdb:FeZr-95Ser.tdb:HCP_A3

TDB models of HCP_A3 (12): PHASE and CONSTITUENT statements as written

FeZr-01Jia.tdb: HCP_A3, type code %A, sha256 82597d9f70589708…

41: PHASE HCP_A3 %A 2 1 0.5 !
42: CONST HCP_A3 : FE ZR% : VA : !

FeZr-03Che-LB.tdb: HCP_A3, type code %A, sha256 4815da4ea0f42db7…

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

FeZr-08Guo.tdb: HCP_A3, type code %A, sha256 032b601cee938711…

43: PHASE HCP_A3 %A 2 1 0.5 !
44: CONST HCP_A3 : FE ZR% : VA : !

FeZr-09Rig.tdb: HCP_A3, type code %A, sha256 381f03fcdbf9e0b3…

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

FeZr-13Yan.tdb: HCP_A3, type code %A, sha256 b8e00f14b0c00270…

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

FeZr-17Gie.tdb: HCP_A3, type code %A, sha256 a18e81844ee810d8…

40: PHASE HCP_A3 %A 2 1 0.5 !
41: CONST HCP_A3 : FE ZR% : VA : !

FeZr-17Lu.tdb: HCP_A3, type code %A, sha256 18d66199776033b5…

44: PHASE HCP_A3 %A 2 1 0.5 !
45: CONST HCP_A3 : FE ZR% : VA : !

FeZr-19Sae.tdb: HCP_A3, type code %A, sha256 6a4533b5c68b993c…

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

FeZr-20Laf.tdb: HCP_A3, type code %A, sha256 6a211aad300aad81…

38: PHASE HCP_A3 %A 2 1 0.5 !
39: CONST HCP_A3 : FE ZR% : VA : !

FeZr-21Du.tdb: HCP_A3, type code %A, sha256 c84ad0d489433682…

46: PHASE HCP_A3 %A 2 1 0.5 !
47: CONST HCP_A3 : FE ZR% : VA : !

FeZr-22Jia.tdb: HCP_A3, type code %A, sha256 6049093dc81e9e93…

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

FeZr-95Ser.tdb: HCP_A3, type code %A, sha256 e624544e068d2ae2…

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

Example references (10 of 17; assessments first):

doi:10.1361/105497101770332965 M. Jiang, K. Oikawa, T. Ikeshoji, L. Wulff, K. Ishida, Thermodynamic calculations of Fe-Zr and Fe-Zr-C systems, JPE 22, 406-417 (2001).
assessment that models this phase; reports values for this phase
doi:10.1007/s42243-021-00570-w Ze-ting Du, Lei Zou, Cui-ping Guo, Xue-ping Ren, Chang-rong Li, Phase stability of Fe23Zr6 and thermodynamic reassessment of Fe–Zr system, J. Iron Steel Res. Int. 28, 1375-1389 (2021).
assessment that models this phase; reports values for this phase
doi:10.1016/0925-8388(94)06036-3 C. Servant, C. Gueneau, I. Ansara, Experimental and thermodynamic assessment of the FeZr system, Journal of Alloys and Compounds 220, 19-26 (1995).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1016/j.calphad.2008.08.007 Cuiping Guo, Zhenmin Du, Changrong Li, Baoliang Zhang, Mei Tao, Thermodynamic description of the Al–Fe–Zr system, Calphad 32, 637-649 (2008).
assessment that models this phase; reports values for this phase
doi:10.1016/j.intermet.2017.05.008 Hai-Jin Lu, Nan Zou, Xu-Shan Zhao, Jian-Yun Shen, Xiao-Gang Lu, Yan-Lin He, Thermodynamic investigation of the Zr-Fe-Nb system and its applications, Intermetallics 88, 91-100 (2017).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2009.05.003 Vincent Rigaud, Bo Sundman, Dominique Daloz, Gérard Lesoult, Thermodynamic assessment of the Fe–Al–Zr phase diagram, Calphad 33, 442-449 (2009).
assessment that models this phase
doi:10.1016/j.calphad.2019.05.002 I. Saenko, A. Kuprava, A. Udovsky, O. Fabrichnaya, Calphad, 66, 101625(2019).
assessment that models this phase
doi:10.1016/j.calphad.2022.102419 Y. Jiang, Y. Zhang, D. Zhang, Y. He, W. Zheng, R. Liu, Calphad, 77, 102419(2022).
assessment that models this phase
doi:10.1016/j.jallcom.2019.153200 Paul Lafaye, Caroline Toffolon-Masclet, Jean-Claude Crivello, Jean-Marc Joubert, Thermodynamic modelling of the Fe–Sn–Zr system based on new experiments and first-principles calculations, Journal of Alloys and Compounds 821, 153200 (2020).
assessment that models this phase
doi:10.1016/j.jnucmat.2013.05.061 Ying Yang, Lizhen Tan, Hongbin Bei, Jeremy T. Busby, Thermodynamic modeling and experimental study of the Fe–Cr–Zr system, Journal of Nuclear Materials 441, 190-202 (2013).
assessment that models this phase

LIQUID (Fe–Zr)

Id: phase:fe-zr:liquid; status assigned
Structure: liquid; type st:liquid; liquid; confidence high
Stability: stable in 12 of 12 calculated diagram(s): 1187.62–4000 K, x(Zr) 0–1
Literature: 121 values (121 accepted) from 4 papers
Interactive: phase registry entry

Names (18): corpus: corpus:phase:fe-zr:liquid
paper: paper:10.1007/s42243-021-00570-w:L, paper:10.1007/s42243-021-00570-w:Liquid, paper:10.1016/0925-8388(94)06036-3:L, paper:10.1016/j.calphad.2008.08.007:liq., paper:10.1361/105497101770332965:L
tdb: tdb:FeZr-01Jia.tdb:LIQUID, tdb:FeZr-03Che-LB.tdb:LIQUID, tdb:FeZr-08Guo.tdb:LIQUID, tdb:FeZr-09Rig.tdb:LIQUID, tdb:FeZr-13Yan.tdb:LIQUID, tdb:FeZr-17Gie.tdb:LIQUID, tdb:FeZr-17Lu.tdb:LIQUID, tdb:FeZr-19Sae.tdb:LIQUID, tdb:FeZr-20Laf.tdb:LIQUID, tdb:FeZr-21Du.tdb:LIQUID, tdb:FeZr-22Jia.tdb:LIQUID, tdb:FeZr-95Ser.tdb:LIQUID

TDB models of LIQUID (12): PHASE and CONSTITUENT statements as written

FeZr-01Jia.tdb: LIQUID, type code %, sha256 82597d9f70589708…

26: PHASE LIQUID:L % 1 1 !
27: CONST LIQUID:L : FE ZR : !

FeZr-03Che-LB.tdb: LIQUID, type code %, sha256 4815da4ea0f42db7…

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

FeZr-08Guo.tdb: LIQUID, type code %, sha256 032b601cee938711…

28: PHASE LIQUID:L % 1 1 !
29: CONST LIQUID:L : FE ZR : !

FeZr-09Rig.tdb: LIQUID, type code %, sha256 381f03fcdbf9e0b3…

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

FeZr-13Yan.tdb: LIQUID, type code %, sha256 b8e00f14b0c00270…

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

FeZr-17Gie.tdb: LIQUID, type code %, sha256 a18e81844ee810d8…

25: PHASE LIQUID:L % 1 1 !
26: CONST LIQUID:L : FE ZR : !

FeZr-17Lu.tdb: LIQUID, type code %, sha256 18d66199776033b5…

29: PHASE LIQUID:L % 1 1 !
30: CONST LIQUID:L : FE ZR : !

FeZr-19Sae.tdb: LIQUID, type code %, sha256 6a4533b5c68b993c…

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

FeZr-20Laf.tdb: LIQUID, type code %, sha256 6a211aad300aad81…

23: PHASE LIQUID:L % 1 1 !
24: CONST LIQUID:L : FE ZR : !

FeZr-21Du.tdb: LIQUID, type code %, sha256 c84ad0d489433682…

31: PHASE LIQUID:L % 1 1 !
32: CONST LIQUID:L : FE ZR : !

FeZr-22Jia.tdb: LIQUID, type code %, sha256 6049093dc81e9e93…

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

FeZr-95Ser.tdb: LIQUID, type code %, sha256 e624544e068d2ae2…

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

Example references (10 of 17; assessments first):

doi:10.1361/105497101770332965 M. Jiang, K. Oikawa, T. Ikeshoji, L. Wulff, K. Ishida, Thermodynamic calculations of Fe-Zr and Fe-Zr-C systems, JPE 22, 406-417 (2001).
assessment that models this phase; reports values for this phase
doi:10.1016/0925-8388(94)06036-3 C. Servant, C. Gueneau, I. Ansara, Experimental and thermodynamic assessment of the FeZr system, Journal of Alloys and Compounds 220, 19-26 (1995).
assessment that models this phase; cited as the source of values for this phase; reports values for this phase
doi:10.1007/s42243-021-00570-w Ze-ting Du, Lei Zou, Cui-ping Guo, Xue-ping Ren, Chang-rong Li, Phase stability of Fe23Zr6 and thermodynamic reassessment of Fe–Zr system, J. Iron Steel Res. Int. 28, 1375-1389 (2021).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2008.08.007 Cuiping Guo, Zhenmin Du, Changrong Li, Baoliang Zhang, Mei Tao, Thermodynamic description of the Al–Fe–Zr system, Calphad 32, 637-649 (2008).
assessment that models this phase; reports values for this phase
doi:10.1016/j.calphad.2009.05.003 Vincent Rigaud, Bo Sundman, Dominique Daloz, Gérard Lesoult, Thermodynamic assessment of the Fe–Al–Zr phase diagram, Calphad 33, 442-449 (2009).
assessment that models this phase
doi:10.1016/j.calphad.2019.05.002 I. Saenko, A. Kuprava, A. Udovsky, O. Fabrichnaya, Calphad, 66, 101625(2019).
assessment that models this phase
doi:10.1016/j.calphad.2022.102419 Y. Jiang, Y. Zhang, D. Zhang, Y. He, W. Zheng, R. Liu, Calphad, 77, 102419(2022).
assessment that models this phase
doi:10.1016/j.intermet.2017.05.008 Hai-Jin Lu, Nan Zou, Xu-Shan Zhao, Jian-Yun Shen, Xiao-Gang Lu, Yan-Lin He, Thermodynamic investigation of the Zr-Fe-Nb system and its applications, Intermetallics 88, 91-100 (2017).
assessment that models this phase
doi:10.1016/j.jallcom.2019.153200 Paul Lafaye, Caroline Toffolon-Masclet, Jean-Claude Crivello, Jean-Marc Joubert, Thermodynamic modelling of the Fe–Sn–Zr system based on new experiments and first-principles calculations, Journal of Alloys and Compounds 821, 153200 (2020).
assessment that models this phase
doi:10.1016/j.jnucmat.2013.05.061 Ying Yang, Lizhen Tan, Hongbin Bei, Jeremy T. Busby, Thermodynamic modeling and experimental study of the Fe–Cr–Zr system, Journal of Nuclear Materials 441, 190-202 (2013).
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}
}