# Zn–Zr system

> Zn–Zr system: 83 accepted literature values (formation 42, invariant reaction 40, phase transition 1) and 2 calculated phase diagram(s) from ORCHID, each value with evidence class, source, page and quote.

HTML: https://data.orchid-project.org/systems/ZN-ZR.html · Markdown: https://data.orchid-project.org/systems/ZN-ZR.md

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

Data: [JSON](https://data.orchid-project.org/literature/systems/ZN-ZR.json) · [CSV](https://data.orchid-project.org/systems/ZN-ZR.csv) · [interactive explorer](https://orchid-project.org/data-explorer/#ZN-ZR) · [interactive phase diagram](https://orchid-project.org/phase-diagrams/#ZN-ZR/ZnZr-06Arr-first.json) · [phases (12)](https://data.orchid-project.org/phases/pages/ZN-ZR.html) · [papers (bibliography)](https://data.orchid-project.org/bibliography/pages/systems/ZN-ZR.html) · [Markdown](https://data.orchid-project.org/systems/ZN-ZR.md)

Table: Accepted values by evidence class

| Evidence class | Values |
|---|---:|
| experimental | 17 |
| model | 50 |
| DFT | 16 |

Table: 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.

Table: 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](https://doi.org/10.1016/j.calphad.2005.12.006) | `d8bfc9b911d493b605f3799d6390fad2ad17ec42086ef574e75c2a986de2b0ff` | [viewer](https://orchid-project.org/phase-diagrams/#ZN-ZR/ZnZr-06Arr-first.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-first.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/ZnZr-06Arr-first.json) |
| ZnZr-06Arr-second.tdb | R. Arroyave, Z.-K. Liu, Calphad, 30, 1-13(2006). [doi:10.1016/j.calphad.2005.12.006](https://doi.org/10.1016/j.calphad.2005.12.006) | `223fd6e8657920e18c35af20dd34e8b400526e59e2759815b2e6f032b10f9891` | [viewer](https://orchid-project.org/phase-diagrams/#ZN-ZR/ZnZr-06Arr-second.json) · [TDB](https://orchid-project.org/data/databases/sgte-binary/ZnZr-06Arr-second.tdb) · [JSON](https://data.orchid-project.org/phase-diagrams/sgte/ZnZr-06Arr-second.json) |

Table: 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](https://data.orchid-project.org/hulls/dft-mp/ZN/ZN-ZR.json) · [OQMD DFT hull](https://data.orchid-project.org/hulls/dft-oqmd/ZN/ZN-ZR.json) · [CALPHAD hull ZnZr-06Arr-second](https://data.orchid-project.org/hulls/calphad-sgte/ZN/ZN-ZR--ZnZr-06Arr-second.json)

## Invariant reactions (literature)

Table: Invariant reactions reported in the literature for the Zn–Zr system (40)

| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---:|---|---|---|---|---|---|
| 1461.15 | congruent melting: L -> Zn2Zr | L: Zr 0.333; Zn2Zr: Zr 0.333 | model | [1] Arroyave 2006 | Table 4, p. 7, row 4; `ORC-N72XUKIHP4` |  |
| 1457.15 | congruent melting: L -> Zn2Zr | L: Zr 0.333; Zn2Zr: Zr 0.333 | model | [1] Arroyave 2006 | Table 4, p. 7, row 2; `ORC-LN52QYGWE5` |  |
| 1455.15 | congruent melting: L -> Zn2Zr | L: Zr 0.333; Zn2Zr: Zr 0.333 | model | [1] Arroyave 2006 | Table 4, p. 7, row 3; `ORC-KLVFXXNNZ7` |  |
| 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; `ORC-NF4VBMUZXG` |  |
| 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; `ORC-V6LN5UVZEK` |  |
| 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; `ORC-5FNJ7AQ3QU` |  |
| 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; `ORC-HVUHA222BT` |  |
| 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; `ORC-UGGI7SQNDG` |  |
| 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; `ORC-BVLLDGKZOM` |  |
| 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; `ORC-SXGWGT2B5M` |  |
| 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; `ORC-VEH3Y4N44V` |  |
| 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; `ORC-6J7DUXPKI4` |  |
| 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; `ORC-OTY62CNC5B` |  |
| 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; `ORC-NKEPZVOROQ` |  |
| 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; `ORC-7DEUSXAO2K` |  |
| 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; `ORC-RXXB2BUERT` |  |
| 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; `ORC-364JAIFHNA` |  |
| 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; `ORC-GZTPDKYEIK` |  |
| 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; `ORC-RTKQUTUV2C` |  |
| 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; `ORC-PGUHL6B4MO` |  |
| 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; `ORC-WDPZ73IUKD` |  |
| 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; `ORC-FGRV5ALVWS` |  |
| 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; `ORC-SIMVSBBSCI` |  |
| 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; `ORC-YVIO55WEWE` |  |
| 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; `ORC-EW7ASKOITH` |  |
| 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; `ORC-7QRPGKJ7BU` |  |
| 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; `ORC-RXR5XVOX7Z` |  |
| 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; `ORC-45XEIAIEYG` |  |
| 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; `ORC-B4ZNVGXWHL` |  |
| 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; `ORC-XB5PSQ3FTI` |  |
| 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; `ORC-2GYXF7QBNI` |  |
| 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; `ORC-KME5Y5CAHY` |  |
| 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; `ORC-G4PQOKAAOZ` |  |
| 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; `ORC-YYXZFHQAY5` |  |
| 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; `ORC-Z4NWMN2LEN` |  |
| 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; `ORC-C4QCMZGSGJ` |  |
| 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; `ORC-CC4T2YGXAC` |  |
| 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; `ORC-VY7FBPZP6Y` |  |
| 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; `ORC-DTYDBTAZIR` |  |
| 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; `ORC-ZIJMPXV7UJ` |  |

## 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](https://data.orchid-project.org/literature/dft_parity.json).

Table: 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 | Quote |
|---|---|---:|---:|---|---:|---:|---|---|---|
| Zn22Zr | [Zn22Zr](https://data.orchid-project.org/compounds/Zn22Zr.html) | -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; `ORC-NPGSQT43MY` |  |
| Zn22Zr |  | -6.66 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 2; `ORC-FMDP44XH4M` |  |
| Zn22Zr | [Zn22Zr](https://data.orchid-project.org/compounds/Zn22Zr.html) | -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; `ORC-PF2GNVAO35` |  |
| Zn22Zr | [Zn22Zr](https://data.orchid-project.org/compounds/Zn22Zr.html) | -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; `ORC-3ZPHGCCAXW` |  |
| Zn22Zr | [Zn22Zr](https://data.orchid-project.org/compounds/Zn22Zr.html) | -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; `ORC-2BMJP4PHZJ` |  |
| Zn22Zr |  | -5.57 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 3; `ORC-W5OW4QABV5` |  |
| Zn2Zr | [Zn2Zr](https://data.orchid-project.org/compounds/Zn2Zr.html) | -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; `ORC-HG3OULQVFJ` |  |
| Zn2Zr |  | -31.76 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 25; `ORC-IZ5X3LVCKP` |  |
| Zn2Zr | [Zn2Zr](https://data.orchid-project.org/compounds/Zn2Zr.html) | -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; `ORC-SG7MXG6FPZ` |  |
| Zn2Zr | [Zn2Zr](https://data.orchid-project.org/compounds/Zn2Zr.html) | -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; `ORC-XWOAYGQECH` |  |
| Zn2Zr | [Zn2Zr](https://data.orchid-project.org/compounds/Zn2Zr.html) | -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; `ORC-5JIR5K2CDY` |  |
| Zn2Zr |  | -27.91 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 26; `ORC-AFSYGHLRS3` |  |
| Zn2Zr3 |  | -20.96 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 36; `ORC-ST3LY3UKJI` |  |
| Zn2Zr3 | [Zn2Zr3](https://data.orchid-project.org/compounds/Zn2Zr3.html) | -19.35 kJ/mol-atom | 298.15 | model | -18.32 (mp-aaacqsdh) |  | [1] Arroyave 2006 | Table 5, p. 8, row 38; `ORC-EUJQYKJ7PX` |  |
| Zn2Zr3 |  | -17.74 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 37; `ORC-UPZJRFPNIT` |  |
| Zn39Zr |  | -31.7 kJ/mol-atom ± 0.8 | 298.15 | experimental |  |  | [1] Arroyave 2006; _cites Chiotti 1960_ | Table 5, p. 8, row 7; `ORC-ZAFWTX5LVT` |  |
| Zn39Zr |  | -18.06 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 8; `ORC-54DWQ2F6OF` |  |
| Zn39Zr |  | -16.3 kJ/mol-atom | 298.15 | model |  |  | [1] Arroyave 2006 | Table 5, p. 8, row 11; `ORC-O73MLSDK62` |  |
| Zn39Zr |  | -16.25 kJ/mol-atom | 298.15 | model |  |  | [1] Arroyave 2006 | Table 5, p. 8, row 12; `ORC-Z4GS53W6RS` |  |
| Zn39Zr |  | -16.08 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 9; `ORC-GAY3KHPVKU` |  |
| Zn39Zr |  | -15.98 kJ/mol-atom | 298.15 | model |  |  | [1] Arroyave 2006 | Table 5, p. 8, row 10; `ORC-XLSHF6ENWL` |  |
| Zn3Zr, h |  | -23.65 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 19; `ORC-EAHQMDHVXZ` |  |
| Zn3Zr, h | [Zn3Zr](https://data.orchid-project.org/compounds/Zn3Zr.html) | -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; `ORC-53O4WAQ574` |  |
| Zn3Zr, h | [Zn3Zr](https://data.orchid-project.org/compounds/Zn3Zr.html) | -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; `ORC-INZ5UXH4ZX` |  |
| Zn3Zr, h | [Zn3Zr](https://data.orchid-project.org/compounds/Zn3Zr.html) | -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; `ORC-77XIWTJFAI` |  |
| Zn3Zr, h |  | -21.83 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 20; `ORC-YY23XDNLBM` |  |
| Zn3Zr, l | [Zn3Zr](https://data.orchid-project.org/compounds/Zn3Zr.html) | -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; `ORC-YCVTYEAVTE` |  |
| Zn3Zr, l |  | -26.45 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 14; `ORC-ZJMMAP6DMJ` |  |
| Zn3Zr, l | [Zn3Zr](https://data.orchid-project.org/compounds/Zn3Zr.html) | -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; `ORC-SG4ZEM57OL` |  |
| Zn3Zr, l | [Zn3Zr](https://data.orchid-project.org/compounds/Zn3Zr.html) | -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; `ORC-HDKO5UT2W3` |  |
| Zn3Zr, l |  | -25.68 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 15; `ORC-XK5NTDG53E` |  |
| ZnZr | [ZnZr](https://data.orchid-project.org/compounds/ZnZr.html) | -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; `ORC-BQGVXCZIOR` |  |
| ZnZr |  | -29.68 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 31; `ORC-AIA6QBUC23` |  |
| ZnZr | [ZnZr](https://data.orchid-project.org/compounds/ZnZr.html) | -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; `ORC-BVFPBDDMPW` |  |
| ZnZr | [ZnZr](https://data.orchid-project.org/compounds/ZnZr.html) | -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; `ORC-HFLPLAV234` |  |
| ZnZr | [ZnZr](https://data.orchid-project.org/compounds/ZnZr.html) | -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; `ORC-QX6PTNP3VU` |  |
| ZnZr |  | -27.6 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 32; `ORC-XGNHGIBKUK` |  |
| ZnZr2 | [ZnZr2](https://data.orchid-project.org/compounds/ZnZr2.html) | -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; `ORC-EURWMYHCXK` |  |
| ZnZr2 |  | -17.06 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 42; `ORC-VNSZP7VZR5` |  |
| ZnZr2 |  | -16.97 kJ/mol-atom | 298.15 | DFT |  |  | [1] Arroyave 2006; _cites Arroyave 2005_ | Table 5, p. 8, row 41; `ORC-DO2CUK7FM6` |  |
| ZnZr2 | [ZnZr2](https://data.orchid-project.org/compounds/ZnZr2.html) | -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; `ORC-PTITWFGMMG` |  |
| ZnZr2 | [ZnZr2](https://data.orchid-project.org/compounds/ZnZr2.html) | -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; `ORC-ZJ66IIA6S6` |  |

## Other properties

### Phase transition (1)

Table: 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; `ORC-B2TXSV2HH7` | “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).

1. 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](https://doi.org/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). https://doi.org/10.5281/zenodo.23735569
- R. Arróyave, J. Saal, D. Shin, ORCHID-Diagrams: calculated binary phase diagrams (version 2026.10), Zenodo (2026). https://doi.org/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). https://doi.org/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). https://doi.org/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.

```bibtex
@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}
}
```

---

Derived data CC BY 4.0 ([licence](https://creativecommons.org/licenses/by/4.0/)): cite ORCHID ([CITATION.cff](https://data.orchid-project.org/CITATION.cff)) and the original sources. Quotes are short excerpts kept so that each value can be checked; they remain under the publishers' copyright and are not relicensed. Source papers, page images and full text are not redistributed. Field reference: [SCHEMA.md](https://data.orchid-project.org/literature/SCHEMA.md). Machine-readable guide: [llms.txt](https://data.orchid-project.org/llms.txt). Found an error? The report link of a value (Markdown: its id, ORC-..., in the Location column) opens a pre-filled GitHub issue, https://github.com/orchid-calphad/orchid-data/issues/new?template=report-value-error.yml&record_id=\<id>, carrying only the record id, source and value; [how to contribute](https://orchid-project.org/contribute/).