Zn–Zr system

83 accepted literature values from 1 paper(s) (experimental 17, model 50, DFT 16); 2 calculated phase diagram(s).

Data: JSON · CSV · interactive explorer · interactive phase diagram · phases (12) · papers (bibliography) · Markdown

Accepted values by evidence class
Evidence class	Values
experimental	17
model	50
DFT	16

Accepted values by property group
Property group	Values
invariant reaction	40
phase transition	1
formation	42

Calculated phase diagrams

Binary phase diagrams calculated with pycalphad 0.11.2 from the SGTE binary collection (Hallstedt 2025, CC BY 4.0). Evidence class: model.

Assessments with a calculated phase diagram
TDB file	Assessment	SHA-256	Links
ZnZr-06Arr-first.tdb	R. Arroyave, Z.-K. Liu, Calphad, 30, 1-13(2006). doi:10.1016/j.calphad.2005.12.006	`d8bfc9b911d493b605f3799d6390fad2ad17ec42086ef574e75c2a986de2b0ff`	viewer · TDB · JSON
ZnZr-06Arr-second.tdb	R. Arroyave, Z.-K. Liu, Calphad, 30, 1-13(2006). doi:10.1016/j.calphad.2005.12.006	`223fd6e8657920e18c35af20dd34e8b400526e59e2759815b2e6f032b10f9891`	viewer · TDB · JSON

Calculated three-phase invariants (model, mole fraction of the second component)
TDB file	T (K)	Phases at the invariant
ZnZr-06Arr-first.tdb	1374.5	LIQUID (x(Zr) 0.19252) + ZN3ZR_HT (x(Zr) 0.25) + ZN2ZR_C15 (x(Zr) 0.33333)
ZnZr-06Arr-first.tdb	1374.5	LIQUID (x(Zr) 0.19253) + ZN3ZR_HT (x(Zr) 0.25) + ZN2ZR_C15 (x(Zr) 0.33333)
ZnZr-06Arr-first.tdb	1374.5	LIQUID (x(Zr) 0.19269) + ZN3ZR_HT (x(Zr) 0.25) + ZN2ZR_C15 (x(Zr) 0.33333)
ZnZr-06Arr-first.tdb	1369.03	ZN2ZR_C15 (x(Zr) 0.33333) + LIQUID (x(Zr) 0.48506) + ZNZR_B2 (x(Zr) 0.5)
ZnZr-06Arr-first.tdb	1369.03	ZN2ZR_C15 (x(Zr) 0.33333) + LIQUID (x(Zr) 0.48486) + ZNZR_B2 (x(Zr) 0.5)
ZnZr-06Arr-first.tdb	1308.38	ZNZR_B2 (x(Zr) 0.5) + ZN2ZR3 (x(Zr) 0.6) + LIQUID (x(Zr) 0.61622)
ZnZr-06Arr-first.tdb	1308.38	ZNZR_B2 (x(Zr) 0.5) + ZN2ZR3 (x(Zr) 0.6) + LIQUID (x(Zr) 0.61623)
ZnZr-06Arr-first.tdb	1303.55	ZN2ZR3 (x(Zr) 0.6) + LIQUID (x(Zr) 0.62989) + BCC_A2 (x(Zr) 0.72038)
ZnZr-06Arr-first.tdb	1303.55	ZN2ZR3 (x(Zr) 0.6) + LIQUID (x(Zr) 0.6299) + BCC_A2 (x(Zr) 0.7204)
ZnZr-06Arr-first.tdb	1207.39	ZNZR_B2 (x(Zr) 0.5) + ZN2ZR3 (x(Zr) 0.6) + BCC_A2 (x(Zr) 0.76445)
ZnZr-06Arr-first.tdb	1207.39	ZNZR_B2 (x(Zr) 0.5) + ZN2ZR3 (x(Zr) 0.6) + BCC_A2 (x(Zr) 0.7644)
ZnZr-06Arr-first.tdb	1207.38	ZNZR_B2 (x(Zr) 0.5) + ZN2ZR3 (x(Zr) 0.6) + BCC_A2 (x(Zr) 0.76458)
ZnZr-06Arr-first.tdb	1182.99	ZN3ZR_HT (x(Zr) 0.25) + ZN3ZR_D023 (x(Zr) 0.25) + ZN2ZR_C15 (x(Zr) 0.33333)
ZnZr-06Arr-first.tdb	1182.99	LIQUID (x(Zr) 0.08634) + ZN3ZR_D023 (x(Zr) 0.25) + ZN3ZR_HT (x(Zr) 0.25)
ZnZr-06Arr-first.tdb	1182.99	LIQUID (x(Zr) 0.08627) + ZN3ZR_HT (x(Zr) 0.25) + ZN3ZR_D023 (x(Zr) 0.25)
ZnZr-06Arr-first.tdb	1025.38	ZNZR_B2 (x(Zr) 0.5) + ZNZR2 (x(Zr) 0.66667) + BCC_A2 (x(Zr) 0.8559)
ZnZr-06Arr-first.tdb	1025.38	ZNZR_B2 (x(Zr) 0.5) + ZNZR2 (x(Zr) 0.66667) + BCC_A2 (x(Zr) 0.85594)
ZnZr-06Arr-first.tdb	1021.03	LIQUID (x(Zr) 0.04135) + ZN39ZR5 (x(Zr) 0.11364) + ZN3ZR_D023 (x(Zr) 0.25)
ZnZr-06Arr-first.tdb	1021.03	LIQUID (x(Zr) 0.04137) + ZN39ZR5 (x(Zr) 0.11364) + ZN3ZR_D023 (x(Zr) 0.25)
ZnZr-06Arr-first.tdb	1021.03	LIQUID (x(Zr) 0.04133) + ZN39ZR5 (x(Zr) 0.11364) + ZN3ZR_D023 (x(Zr) 0.25)
ZnZr-06Arr-first.tdb	991.18	ZNZR2 (x(Zr) 0.66667) + BCC_A2 (x(Zr) 0.87327) + HCP_A3 (x(Zr) 0.96813)
ZnZr-06Arr-first.tdb	978.25	ZNZR_B2 (x(Zr) 0.5) + ZNZR2 (x(Zr) 0.66667) + HCP_A3 (x(Zr) 0.97007)
ZnZr-06Arr-first.tdb	978.25	ZNZR_B2 (x(Zr) 0.5) + ZNZR2 (x(Zr) 0.66667) + HCP_A3 (x(Zr) 0.97005)
ZnZr-06Arr-first.tdb	978.25	ZNZR_B2 (x(Zr) 0.5) + ZNZR2 (x(Zr) 0.66667) + HCP_A3 (x(Zr) 0.97009)
ZnZr-06Arr-first.tdb	816.74	LIQUID (x(Zr) 0.00142) + ZN22ZR (x(Zr) 0.04348) + ZN39ZR5 (x(Zr) 0.11364)
ZnZr-06Arr-first.tdb	816.74	LIQUID (x(Zr) 0.00142) + ZN22ZR (x(Zr) 0.04348) + ZN39ZR5 (x(Zr) 0.11364)
ZnZr-06Arr-first.tdb	816.74	LIQUID (x(Zr) 0.00142) + ZN22ZR (x(Zr) 0.04348) + ZN39ZR5 (x(Zr) 0.11364)
ZnZr-06Arr-first.tdb	692.67	HCP_A3 (x(Zr) 0) + LIQUID (x(Zr) 1.000e-5) + ZN22ZR (x(Zr) 0.04348)
ZnZr-06Arr-first.tdb	692.67	HCP_A3 (x(Zr) 0) + LIQUID (x(Zr) 0) + ZN22ZR (x(Zr) 0.04348)
ZnZr-06Arr-second.tdb	1378.78	ZN2ZR_C15 (x(Zr) 0.33333) + ZNZR_B2 (x(Zr) 0.5) + LIQUID (x(Zr) 0.50998)
ZnZr-06Arr-second.tdb	1373.92	LIQUID (x(Zr) 0.18642) + ZN3ZR_HT (x(Zr) 0.25) + ZN2ZR_C15 (x(Zr) 0.33333)
ZnZr-06Arr-second.tdb	1299.67	ZNZR_B2 (x(Zr) 0.5) + ZN2ZR3 (x(Zr) 0.6) + LIQUID (x(Zr) 0.61983)
ZnZr-06Arr-second.tdb	1295.71	ZN2ZR3 (x(Zr) 0.6) + LIQUID (x(Zr) 0.62596) + BCC_A2 (x(Zr) 0.7208)
ZnZr-06Arr-second.tdb	1251.69	ZNZR_B2 (x(Zr) 0.5) + ZN2ZR3 (x(Zr) 0.6) + BCC_A2 (x(Zr) 0.73658)
ZnZr-06Arr-second.tdb	1251.69	ZNZR_B2 (x(Zr) 0.5) + ZN2ZR3 (x(Zr) 0.6) + BCC_A2 (x(Zr) 0.73647)
ZnZr-06Arr-second.tdb	1182.66	ZN3ZR_HT (x(Zr) 0.25) + ZN3ZR_D023 (x(Zr) 0.25) + ZN2ZR_C15 (x(Zr) 0.33333)
ZnZr-06Arr-second.tdb	1182.66	LIQUID (x(Zr) 0.09338) + ZN3ZR_D023 (x(Zr) 0.25) + ZN3ZR_HT (x(Zr) 0.25)
ZnZr-06Arr-second.tdb	1023.8	ZNZR_B2 (x(Zr) 0.5) + ZNZR2 (x(Zr) 0.66667) + BCC_A2 (x(Zr) 0.85088)
ZnZr-06Arr-second.tdb	1023.8	ZNZR_B2 (x(Zr) 0.5) + ZNZR2 (x(Zr) 0.66667) + BCC_A2 (x(Zr) 0.85101)
ZnZr-06Arr-second.tdb	1018	LIQUID (x(Zr) 0.04935) + ZN39ZR5 (x(Zr) 0.11364) + ZN3ZR_D023 (x(Zr) 0.25)
ZnZr-06Arr-second.tdb	990.92	ZNZR2 (x(Zr) 0.66667) + BCC_A2 (x(Zr) 0.8725) + HCP_A3 (x(Zr) 0.97561)
ZnZr-06Arr-second.tdb	976.56	ZNZR_B2 (x(Zr) 0.5) + ZNZR2 (x(Zr) 0.66667) + HCP_A3 (x(Zr) 0.97746)
ZnZr-06Arr-second.tdb	976.56	ZNZR_B2 (x(Zr) 0.5) + ZNZR2 (x(Zr) 0.66667) + HCP_A3 (x(Zr) 0.97743)
ZnZr-06Arr-second.tdb	976.56	ZNZR_B2 (x(Zr) 0.5) + ZNZR2 (x(Zr) 0.66667) + HCP_A3 (x(Zr) 0.97746)
ZnZr-06Arr-second.tdb	812.95	LIQUID (x(Zr) 0.00145) + ZN22ZR (x(Zr) 0.04348) + ZN39ZR5 (x(Zr) 0.11364)
ZnZr-06Arr-second.tdb	692.67	HCP_A3 (x(Zr) 0) + LIQUID (x(Zr) 1.000e-5) + ZN22ZR (x(Zr) 0.04348)

Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull ZnZr-06Arr-second

Invariant reactions (literature)

Invariant reactions reported in the literature for the Zn–Zr system (40)
T (K)	Reaction / phases	Compositions (mole fraction)	Class	Source	Location
1461.15	congruent melting: L -> Zn2Zr	L: Zr 0.333; Zn2Zr: Zr 0.333	model	[1] Arroyave 2006	Table 4, p. 7, row 4 report
1457.15	congruent melting: L -> Zn2Zr	L: Zr 0.333; Zn2Zr: Zr 0.333	model	[1] Arroyave 2006	Table 4, p. 7, row 2 report
1455.15	congruent melting: L -> Zn2Zr	L: Zr 0.333; Zn2Zr: Zr 0.333	model	[1] Arroyave 2006	Table 4, p. 7, row 3 report
1453.15	congruent melting: L -> Zn2Zr	L: Zr 0.333; Zn2Zr: Zr 0.333	experimental	[1] Arroyave 2006 cites Lustman 1955	Table 4, p. 7, row 1 report
1383.15	L + Zn2Zr -> ZnZr	L: Zr 0.518; Zn2Zr: Zr 0.333; ZnZr: Zr 0.5	experimental	[1] Arroyave 2006 cites Lustman 1955	Table 4, p. 7, row 9 report
1379.15	L + Zn2Zr -> ZnZr	L: Zr 0.501; Zn2Zr: Zr 0.333; ZnZr: Zr 0.5	model	[1] Arroyave 2006	Table 4, p. 7, row 11 report
1374.15	L + Zn2Zr -> Zn3Zr h	L: Zr 0.186; Zn2Zr: Zr 0.333; Zn3Zr h: Zr 0.25	model	[1] Arroyave 2006	Table 4, p. 7, row 15 report
1374.15	L + Zn2Zr -> Zn3Zr h	L: Zr 0.192; Zn2Zr: Zr 0.333; Zn3Zr h: Zr 0.25	model	[1] Arroyave 2006	Table 4, p. 7, row 14 report
1373.15	L + Zn2Zr -> Zn3Zr h	L: Zr 0.2; Zn2Zr: Zr 0.333; Zn3Zr h: Zr 0.25	experimental	[1] Arroyave 2006 cites Lustman 1955	Table 4, p. 7, row 13 report
1373.15	L + Zn2Zr -> Zn3Zr h	L: Zr 0.186; Zn2Zr: Zr 0.333; Zn3Zr h: Zr 0.25	model	[1] Arroyave 2006	Table 4, p. 7, row 16 report
1369.15	L + Zn2Zr -> ZnZr	L: Zr 0.485; Zn2Zr: Zr 0.333; ZnZr: Zr 0.5	model	[1] Arroyave 2006	Table 4, p. 7, row 10 report
1368.15	L + Zn2Zr -> ZnZr	L: Zr 0.497; Zn2Zr: Zr 0.333; ZnZr: Zr 0.5	model	[1] Arroyave 2006	Table 4, p. 7, row 12 report
1305.15	eutectic: L -> ZnZr + bcc	L: Zr 0.624; ZnZr: Zr 0.5; bcc: Zr 0.731	model	[1] Arroyave 2006	Table 4, p. 7, row 8 report
1295.15	eutectic: L -> ZnZr + bcc	L: Zr 0.627; ZnZr: Zr 0.5; bcc: Zr 0.715	model	[1] Arroyave 2006	Table 4, p. 7, row 6 report
1290.15	eutectic: L -> ZnZr + bcc	L: Zr 0.625; ZnZr: Zr 0.5; bcc: Zr 0.719	model	[1] Arroyave 2006	Table 4, p. 7, row 7 report
1288.15	eutectic: L -> ZnZr + bcc	L: Zr 0.615; ZnZr: Zr 0.5; bcc: Zr 0.73	experimental	[1] Arroyave 2006 cites Lustman 1955	Table 4, p. 7, row 5 report
1183.15	polymorphic: Zn3Zr h -> Zn3Zr l	Zn3Zr h: Zr 0.25; Zn3Zr l: Zr 0.25	experimental	[1] Arroyave 2006 cites Lustman 1955	Table 4, p. 7, row 17 report
1183.15	polymorphic: Zn3Zr h -> Zn3Zr l	Zn3Zr h: Zr 0.25; Zn3Zr l: Zr 0.25	model	[1] Arroyave 2006	Table 4, p. 7, row 18 report
1181.15	polymorphic: Zn3Zr h -> Zn3Zr l	Zn3Zr h: Zr 0.25; Zn3Zr l: Zr 0.25	model	[1] Arroyave 2006	Table 4, p. 7, row 20 report
1027.15	bcc + ZnZr -> ZnZr2	bcc: Zr 0.855; ZnZr: Zr 0.5; ZnZr2: Zr 0.667	model	[1] Arroyave 2006	Table 4, p. 7, row 26 report
1025.15	bcc + ZnZr -> ZnZr2	bcc: Zr 0.86; ZnZr: Zr 0.5; ZnZr2: Zr 0.667	model	[1] Arroyave 2006	Table 4, p. 7, row 28 report
1023.15	L + Zn3Zr l -> Zn39Zr5	L: Zr 0.044; Zn3Zr l: Zr 0.25; Zn39Zr5: Zr 0.114	experimental	[1] Arroyave 2006 cites Lustman 1955	Table 4, p. 7, row 21 report
1023.15	bcc + ZnZr -> ZnZr2	bcc: Zr 0.84; ZnZr: Zr 0.5; ZnZr2: Zr 0.667	experimental	[1] Arroyave 2006 cites Lustman 1955	Table 4, p. 7, row 25 report
1023.15	bcc + ZnZr -> ZnZr2	bcc: Zr 0.852; ZnZr: Zr 0.5; ZnZr2: Zr 0.667	model	[1] Arroyave 2006	Table 4, p. 7, row 27 report
1021.15	L + Zn3Zr l -> Zn39Zr5	L: Zr 0.041; Zn3Zr l: Zr 0.25; Zn39Zr5: Zr 0.114	model	[1] Arroyave 2006	Table 4, p. 7, row 24 report
1018.15	L + Zn3Zr l -> Zn39Zr5	L: Zr 0.049; Zn3Zr l: Zr 0.25; Zn39Zr5: Zr 0.114	model	[1] Arroyave 2006	Table 4, p. 7, row 23 report
994.15	bcc -> hcp + ZnZr2	bcc: Zr 0.876; hcp: Zr 0.968; ZnZr2: Zr 0.667	model	[1] Arroyave 2006	Table 4, p. 7, row 32 report
991.15	bcc -> hcp + ZnZr2	bcc: Zr 0.872; hcp: Zr 0.976; ZnZr2: Zr 0.667	model	[1] Arroyave 2006	Table 4, p. 7, row 31 report
991.15	bcc -> hcp + ZnZr2	bcc: Zr 0.87; ZnZr2: Zr 0.667	experimental	[1] Arroyave 2006 cites Lustman 1955	Table 4, p. 7, row 29 report
991.15	bcc -> hcp + ZnZr2	bcc: Zr 0.873; hcp: Zr 0.968; ZnZr2: Zr 0.667	model	[1] Arroyave 2006	Table 4, p. 7, row 30 report
978.15	ZnZr2 -> hcp + ZnZr	ZnZr2: Zr 0.667; hcp: Zr 0.97; ZnZr: Zr 0.5	model	[1] Arroyave 2006	Table 4, p. 7, row 34 report
978.15	ZnZr2 -> hcp + ZnZr	ZnZr2: Zr 0.667; ZnZr: Zr 0.5	experimental	[1] Arroyave 2006 cites Lustman 1955	Table 4, p. 7, row 33 report
977.15	ZnZr2 -> hcp + ZnZr	ZnZr2: Zr 0.667; hcp: Zr 0.97; ZnZr: Zr 0.5	model	[1] Arroyave 2006	Table 4, p. 7, row 36 report
977.15	ZnZr2 -> hcp + ZnZr	ZnZr2: Zr 0.667; hcp: Zr 0.978; ZnZr: Zr 0.5	model	[1] Arroyave 2006	Table 4, p. 7, row 35 report
818.15	L + Zn39Zr5 -> Zn22Zr	L: Zr 0.011; Zn39Zr5: Zr 0.114; Zn22Zr: Zr 0.0435	experimental	[1] Arroyave 2006 cites Lustman 1955	Table 4, p. 7, row 37 report
817.15	L + Zn39Zr5 -> Zn22Zr	L: Zr 0.001; Zn39Zr5: Zr 0.114; Zn22Zr: Zr 0.0435	model	[1] Arroyave 2006	Table 4, p. 7, row 38 report
816.15	L + Zn39Zr5 -> Zn22Zr	L: Zr 0.002; Zn39Zr5: Zr 0.114; Zn22Zr: Zr 0.0435	model	[1] Arroyave 2006	Table 4, p. 7, row 40 report
813.15	L + Zn39Zr5 -> Zn22Zr	L: Zr 0.001; Zn39Zr5: Zr 0.114; Zn22Zr: Zr 0.0435	model	[1] Arroyave 2006	Table 4, p. 7, row 39 report
693.15	eutectic: L -> hcp + Zn22Zr	L: Zr 0; hcp: Zr 0; Zn22Zr: Zr 0.0435	model	[1] Arroyave 2006	Table 4, p. 7, row 44 report
692.15	eutectic: L -> hcp + Zn22Zr	L: Zr 1.000e-4; hcp: Zr 1.000e-4; Zn22Zr: Zr 0.0435	experimental	[1] Arroyave 2006 cites Lustman 1955	Table 4, p. 7, row 41 report

Formation enthalpies

Literature values in kJ/mol-atom where the per-atom basis is known. DFT columns: the lowest-energy entry at the same composition (Materials Project 2026.04.13, OQMD v1.8; different energy references, never averaged), from dft_parity.json.

Enthalpies of formation, Zn–Zr system (42)
Phase	Compound	Value	T (K)	Class	MP DFT (kJ/mol-atom)	OQMD DFT (kJ/mol-atom)	Source	Location
Zn22Zr	Zn22Zr	-18.4 kJ/mol-atom ± 0.8	298.15	experimental	-6.755 (mp-aaaabtsa)	-5.862 (oqmd-90927)	[1] Arroyave 2006 cites Chiotti 1960	Table 5, p. 8, row 1 report
Zn22Zr		-6.66 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 2 report
Zn22Zr	Zn22Zr	-6.03 kJ/mol-atom	298.15	model	-6.755 (mp-aaaabtsa)	-5.862 (oqmd-90927)	[1] Arroyave 2006	Table 5, p. 8, row 6 report
Zn22Zr	Zn22Zr	-5.89 kJ/mol-atom	298.15	model	-6.755 (mp-aaaabtsa)	-5.862 (oqmd-90927)	[1] Arroyave 2006	Table 5, p. 8, row 4 report
Zn22Zr	Zn22Zr	-5.84 kJ/mol-atom	298.15	model	-6.755 (mp-aaaabtsa)	-5.862 (oqmd-90927)	[1] Arroyave 2006	Table 5, p. 8, row 5 report
Zn22Zr		-5.57 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 3 report
Zn2Zr	Zn2Zr	-49.3 kJ/mol-atom ± 1	298.15	experimental	-29.192 (mp-aaaaacbx)	-28.719 (oqmd-18188)	[1] Arroyave 2006 cites Chiotti 1960	Table 5, p. 8, row 24 report
Zn2Zr		-31.76 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 25 report
Zn2Zr	Zn2Zr	-31.31 kJ/mol-atom	298.15	model	-29.192 (mp-aaaaacbx)	-28.719 (oqmd-18188)	[1] Arroyave 2006	Table 5, p. 8, row 29 report
Zn2Zr	Zn2Zr	-31.27 kJ/mol-atom	298.15	model	-29.192 (mp-aaaaacbx)	-28.719 (oqmd-18188)	[1] Arroyave 2006	Table 5, p. 8, row 27 report
Zn2Zr	Zn2Zr	-30.07 kJ/mol-atom	298.15	model	-29.192 (mp-aaaaacbx)	-28.719 (oqmd-18188)	[1] Arroyave 2006	Table 5, p. 8, row 28 report
Zn2Zr		-27.91 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 26 report
Zn2Zr3		-20.96 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 36 report
Zn2Zr3	Zn2Zr3	-19.35 kJ/mol-atom	298.15	model	-18.32 (mp-aaacqsdh)		[1] Arroyave 2006	Table 5, p. 8, row 38 report
Zn2Zr3		-17.74 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 37 report
Zn39Zr		-31.7 kJ/mol-atom ± 0.8	298.15	experimental			[1] Arroyave 2006 cites Chiotti 1960	Table 5, p. 8, row 7 report
Zn39Zr		-18.06 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 8 report
Zn39Zr		-16.3 kJ/mol-atom	298.15	model			[1] Arroyave 2006	Table 5, p. 8, row 11 report
Zn39Zr		-16.25 kJ/mol-atom	298.15	model			[1] Arroyave 2006	Table 5, p. 8, row 12 report
Zn39Zr		-16.08 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 9 report
Zn39Zr		-15.98 kJ/mol-atom	298.15	model			[1] Arroyave 2006	Table 5, p. 8, row 10 report
Zn3Zr, h		-23.65 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 19 report
Zn3Zr, h	Zn3Zr	-22.75 kJ/mol-atom	298.15	model	-27.958 (mp-aaabxfkz)	-26.626 (oqmd-324277)	[1] Arroyave 2006	Table 5, p. 8, row 22 report
Zn3Zr, h	Zn3Zr	-22.57 kJ/mol-atom	298.15	model	-27.958 (mp-aaabxfkz)	-26.626 (oqmd-324277)	[1] Arroyave 2006	Table 5, p. 8, row 23 report
Zn3Zr, h	Zn3Zr	-22.41 kJ/mol-atom	298.15	model	-27.958 (mp-aaabxfkz)	-26.626 (oqmd-324277)	[1] Arroyave 2006	Table 5, p. 8, row 21 report
Zn3Zr, h		-21.83 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 20 report
Zn3Zr, l	Zn3Zr	-46.5 kJ/mol-atom ± 0.8	298.15	experimental	-27.958 (mp-aaabxfkz)	-26.626 (oqmd-324277)	[1] Arroyave 2006 cites Chiotti 1960	Table 5, p. 8, row 13 report
Zn3Zr, l		-26.45 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 14 report
Zn3Zr, l	Zn3Zr	-26.18 kJ/mol-atom	298.15	model	-27.958 (mp-aaabxfkz)	-26.626 (oqmd-324277)	[1] Arroyave 2006	Table 5, p. 8, row 18 report
Zn3Zr, l	Zn3Zr	-26.07 kJ/mol-atom	298.15	model	-27.958 (mp-aaabxfkz)	-26.626 (oqmd-324277)	[1] Arroyave 2006	Table 5, p. 8, row 17 report
Zn3Zr, l		-25.68 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 15 report
ZnZr	ZnZr	-58.4 kJ/mol-atom ± 1.3	298.15	experimental	-27.71 (mp-aaabglps)	-27.234 (oqmd-116235)	[1] Arroyave 2006 cites Chiotti 1960	Table 5, p. 8, row 30 report
ZnZr		-29.68 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 31 report
ZnZr	ZnZr	-29.07 kJ/mol-atom	298.15	model	-27.71 (mp-aaabglps)	-27.234 (oqmd-116235)	[1] Arroyave 2006	Table 5, p. 8, row 34 report
ZnZr	ZnZr	-28.62 kJ/mol-atom	298.15	model	-27.71 (mp-aaabglps)	-27.234 (oqmd-116235)	[1] Arroyave 2006	Table 5, p. 8, row 33 report
ZnZr	ZnZr	-28.47 kJ/mol-atom	298.15	model	-27.71 (mp-aaabglps)	-27.234 (oqmd-116235)	[1] Arroyave 2006	Table 5, p. 8, row 35 report
ZnZr		-27.6 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 32 report
ZnZr2	ZnZr2	-17.06 kJ/mol-atom	298.15	model	-17.135 (mp-aaacfybx)	-16.755 (oqmd-31125)	[1] Arroyave 2006	Table 5, p. 8, row 44 report
ZnZr2		-17.06 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 42 report
ZnZr2		-16.97 kJ/mol-atom	298.15	DFT			[1] Arroyave 2006 cites Arroyave 2005	Table 5, p. 8, row 41 report
ZnZr2	ZnZr2	-16.89 kJ/mol-atom	298.15	model	-17.135 (mp-aaacfybx)	-16.755 (oqmd-31125)	[1] Arroyave 2006	Table 5, p. 8, row 43 report
ZnZr2	ZnZr2	-16.85 kJ/mol-atom	298.15	model	-17.135 (mp-aaacfybx)	-16.755 (oqmd-31125)	[1] Arroyave 2006	Table 5, p. 8, row 45 report

Other properties

Phase transition (1)

Phase transition, Zn–Zr system
Property	Value	T (K)	Phases / composition	Class	Source	Location	Quote
Phase transition	1453.15 K	1453.15	congruent melting: Zn2 Zr -> L	experimental	[1] Arroyave 2006 cites Chiotti 1959	p. 6 report	The figure indicates that, at this pressure, all the invariant reactions involving the intermetallic compounds, including the congruent melting of Zn2 Zr at 1180 ◦ C, are more stable than any invariant reaction involving the gas phase, corroborating the experimental observations [9].

Sources

Reporting papers the values were read from (a value cited from another work names that work in its row).

R. Arroyave, Z.K. Liu, Thermodynamic modelling of the Zn–Zr system, Calphad 30, 1-13 (2006). doi:10.1016/j.calphad.2005.12.006

Please cite

R. Arróyave, J. Saal, D. Shin, ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature (version 2026.10; Version 1, machine-extracted), Zenodo (2026). doi:10.5281/zenodo.23735569
R. Arróyave, J. Saal, D. Shin, ORCHID-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735859
R. Arróyave, J. Saal, D. Shin, ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD) (version 2026.10), Zenodo (2026). doi:10.5281/zenodo.23735891
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 the original source of every value you use (paper_citation / paper_doi, and cited_dois for values the paper cites from earlier work); 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). 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_literature_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Values: thermodynamic and phase-equilibrium values read from the literature}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735569},
  url       = {https://doi.org/10.5281/zenodo.23735569},
  note      = {Version 1, machine-extracted}
}

@misc{orchid_phase_diagrams_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Diagrams: calculated binary phase diagrams}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735859},
  url       = {https://doi.org/10.5281/zenodo.23735859}
}

@misc{orchid_hulls_2026,
  author    = {Arr{\'o}yave, Raymundo and Saal, James and Shin, Dongwon},
  title     = {{ORCHID-Hulls: binary convex hulls (Materials Project, OQMD, assessed CALPHAD)}},
  version   = {2026.10},
  publisher = {Zenodo},
  year      = {2026},
  doi       = {10.5281/zenodo.23735891},
  url       = {https://doi.org/10.5281/zenodo.23735891}
}

@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}
}