P–Zn system
85 accepted literature values from 3 paper(s) (experimental 37, model 35, unspecified 13); 0 calculated phase diagram(s). 7 further extracted value(s) not accepted by the reader-agreement checks are only in the JSON/CSV.
Data: JSON · CSV · interactive explorer · phases (13) · papers (bibliography) · Markdown
| Evidence class | Values |
|---|---|
| experimental | 37 |
| model | 35 |
| unspecified | 13 |
| Property group | Values |
|---|---|
| invariant reaction | 18 |
| phase transition | 25 |
| formation | 34 |
| crystal structure | 8 |
Convex hulls: Materials Project DFT hull · OQMD DFT hull · CALPHAD hull ZnP-09Tu · CALPHAD hull ZnP-16Liu
Invariant reactions (literature)
| T (K) | Reaction / phases | Compositions (mole fraction) | Class | Source | Location | Quote |
|---|---|---|---|---|---|---|
| 1269.15 | eutectic: L -> ZnP2 + Zn3P2 | L: P 0.0059; ZnP2: P 0.666667; Zn3P2: P 0.4 | unspecified | [1] Liu 2016 cites Tu 2009 doi | Table 5, p. 6, row 9 report | |
| 1267.15 | eutectic: L -> ZnP2 + Zn3P2 | L: P 0.00594; ZnP2: P 0.666667; Zn3P2: P 0.4 | unspecified | [1] Liu 2016 | Table 5, p. 6, row 8 report | |
| 1258.15 | eutectic: L -> βZn3P2 + αZnP2 | L: P 0.57; βZn3P2: P 0.4; αZnP2: P 0.666 | model | [2] Ghasemi 2019 | Table 4, p. 6, row 22 report | |
| 1256.15 | eutectic: L -> βZn3P2 + αZnP2 | L: P 0.56; βZn3P2: P 0.4; αZnP2: P 0.666 | model | [2] Ghasemi 2019 | Table 4, p. 6, row 21 report | |
| 1255.15 | eutectic: L -> βZn3P2 + αZnP2 | L: P 0.56; βZn3P2: P 0.4; αZnP2: P 0.666 | model | [2] Ghasemi 2019 | Table 4, p. 6, row 23 report | |
| 1253.15 | eutectic: L -> βZn3P2 + αZnP2 | L: P 0.55; βZn3P2: P 0.4; αZnP2: P 0.666 | experimental | [2] Ghasemi 2019 cites Berak 1969 | Table 4, p. 6, row 19 report | |
| 1253.15 | eutectic: L -> ZnP2 + Zn3P2 | L: P 0.0055; ZnP2: P 0.666667; Zn3P2: P 0.4 | experimental | [1] Liu 2016 cites Dutkiewlcz 1991 doi | Table 5, p. 6, row 10 report | |
| 1223.15 | eutectic: L -> βZn3P2 + αZnP2 | βZn3P2: P 0.4; αZnP2: P 0.666667 | experimental | [2] Ghasemi 2019 cites Schneider 1973 | Table 4, p. 6, row 20 report | |
| 692.3 | eutectic: L -> (Zn) + αZn3P2 | L: P 7.000e-4; (Zn): P 0; αZn3P2: P 0.4 | model | [2] Ghasemi 2019 | Table 4, p. 6, row 5 report | |
| 692.15 | eutectic: L -> (Zn) + αZn3P2 | L: P 0.0066; (Zn): P 0; αZn3P2: P 0.4 | experimental | [2] Ghasemi 2019 cites Berak 1969 | Table 4, p. 6, row 2 report | |
| 690.9 | eutectic: L -> (Zn) + αZn3P2 | L: P 0.0034; (Zn): P 0; αZn3P2: P 0.4 | model | [2] Ghasemi 2019 | Table 4, p. 6, row 4 report | |
| 690.8 | eutectic: L -> (Zn) + αZn3P2 | L: P 0.0036; (Zn): P 0; αZn3P2: P 0.4 | model | [2] Ghasemi 2019 | Table 4, p. 6, row 6 report | |
| 689.15 | eutectic: L -> (Zn) + Zn3P2 | L: P 6.400e-4; (Zn): P 0; Zn3P2: P 0.4 | unspecified | [1] Liu 2016 cites Tu 2009 doi | Table 5, p. 6, row 3 report | |
| 689.15 | eutectic: L -> (Zn) + Zn3P2 | L: P 6.600e-4; (Zn): P 0; Zn3P2: P 0.4 | experimental | [1] Liu 2016 cites Dutkiewlcz 1991 doi | Table 5, p. 6, row 4 report | |
| 689.15 | eutectic: L -> (Zn) + αZn3P2 | L: P 0.0066; (Zn): P 0; αZn3P2: P 0.4 | experimental | [2] Ghasemi 2019 cites Schneider 1973 | Table 4, p. 6, row 1 report | |
| 686.15 | eutectic: L -> (Zn) + Zn3P2 | L: P 0.025; (Zn): P 0; Zn3P2: P 0.4 | experimental | [1] Liu 2016 cites Ugay 1968 | Table 5, p. 6, row 2 report | |
| 685.35 | eutectic: L -> (Zn) + Zn3P2 | L: P 0.00907; (Zn): P 0; Zn3P2: P 0.4 | unspecified | [1] Liu 2016 | Table 5, p. 6, row 1 report | |
| 674.15 | eutectic: L -> (Zn) + αZn3P2 | L: P 0.025; (Zn): P 0; αZn3P2: P 0.4 | experimental | [2] Ghasemi 2019 cites Ugai 1968 | Table 4, p. 6, row 3 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.
| Phase | Compound | Value | T (K) | Class | MP DFT (kJ/mol-atom) | OQMD DFT (kJ/mol-atom) | Source | Location | Quote |
|---|---|---|---|---|---|---|---|---|---|
| Zn3P2 | -181.78 kJ/mol (basis unstated) | 298.15 | model | [2] Ghasemi 2019 cites Tu 2009 doi | Table 2, p. 3, row 2 report | ||||
| Zn3P2 | -151.839 kJ/mol (basis unstated) | 298.15 | model | [2] Ghasemi 2019 cites Liu 2016 doi | Table 2, p. 3, row 1 report | ||||
| Zn3P2 | Zn3P2 | -46.06 kJ/mol-atom ± 6300 | 298.15 | experimental | -18.169 (mp-aaaaadbr) | -27.768 (oqmd-14030) | [1] Liu 2016 cites Karvelis 1959 | Table 4, p. 6, row 4 report | |
| Zn3P2 | Zn3P2 | -46.06 kJ/mol-atom ± 1.26 | 298.15 | experimental | -18.169 (mp-aaaaadbr) | -27.768 (oqmd-14030) | [3] Tu 2009 cites Karvelis 1959 | Table 3, p. 4, row 8 report | |
| Zn3P2 | Zn3P2 | -44.66 kJ/mol-atom ± 1500 | 298.15 | unspecified | -18.169 (mp-aaaaadbr) | -27.768 (oqmd-14030) | [1] Liu 2016 cites Karvelis 1959 | Table 4, p. 6, row 5 report | |
| Zn3P2 | Zn3P2 | -44.66 kJ/mol-atom ± 0.3 | 298.15 | experimental | -18.169 (mp-aaaaadbr) | -27.768 (oqmd-14030) | [3] Tu 2009 cites Karvelis 1959 | Table 3, p. 4, row 9 report | |
| Zn3P2 | Zn3P2 | -36.356 kJ/mol-atom | 298.15 | model | -18.169 (mp-aaaaadbr) | -27.768 (oqmd-14030) | [3] Tu 2009 | Table 3, p. 4, row 10 report | |
| Zn3P2 | Zn3P2 | -36.356 kJ/mol-atom | 298.15 | model | -18.169 (mp-aaaaadbr) | -27.768 (oqmd-14030) | [1] Liu 2016 cites Tu 2009 doi | Table 4, p. 6, row 6 report | |
| Zn3P2 | Zn3P2 | -34.64 kJ/mol-atom ± 10400 | 298.15 | unspecified | -18.169 (mp-aaaaadbr) | -27.768 (oqmd-14030) | [1] Liu 2016 cites Sirota 2016 | Table 4, p. 6, row 2 report | |
| Zn3P2 | Zn3P2 | -34.64 kJ/mol-atom ± 2.08 | 298.15 | experimental | -18.169 (mp-aaaaadbr) | -27.768 (oqmd-14030) | [3] Tu 2009 cites Sirota 1975 | Table 3, p. 4, row 6 report | |
| Zn3P2 | Zn3P2 | -33.06 kJ/mol-atom ± 4.18 | 298.15 | experimental | -18.169 (mp-aaaaadbr) | -27.768 (oqmd-14030) | [3] Tu 2009 cites Schoonmaker 1967 doi | Table 3, p. 4, row 7 report | |
| Zn3P2 | Zn3P2 | -33.06 kJ/mol-atom ± 20900 | 298.15 | experimental | -18.169 (mp-aaaaadbr) | -27.768 (oqmd-14030) | [1] Liu 2016 cites Schoonmaker 1967 doi | Table 4, p. 6, row 3 report | |
| Zn3P2 | Zn3P2 | -30.3678 kJ/mol-atom | 298.15 | model | -18.169 (mp-aaaaadbr) | -27.768 (oqmd-14030) | [1] Liu 2016 | Table 4, p. 6, row 1 report | |
| ZnP2 | -127.4 kJ/mol (basis unstated) ± 7.5 | 298.15 | unspecified | [1] Liu 2016 cites Sirota 2016 | Table 4, p. 6, row 8 report | ||||
| ZnP2 | -126.85 kJ/mol (basis unstated) | 298.15 | model | [2] Ghasemi 2019 cites Tu 2009 doi | Table 2, p. 3, row 12 report | ||||
| ZnP2 | -126.85 kJ/mol (basis unstated) | 298.15 | model | [1] Liu 2016 cites Tu 2009 doi | Table 4, p. 6, row 9 report | ||||
| ZnP2 | -92.9282 kJ/mol (basis unstated) | 298.15 | model | [2] Ghasemi 2019 cites Liu 2016 doi | Table 2, p. 3, row 11 report | ||||
| ZnP2 | -92.9282 kJ/mol (basis unstated) | 298.15 | model | [1] Liu 2016 | Table 4, p. 6, row 7 report | ||||
| ZnP2 | ZnP2 | -42.4667 kJ/mol-atom ± 2.5 | 298.15 | experimental | -23.975 (mp-aaaaaqib) | -40.016 (oqmd-31359) | [3] Tu 2009 cites Sirota 1975 | Table 3, p. 4, row 11 report | |
| ZnP2 | ZnP2 | -42.2833 kJ/mol-atom | 298.15 | model | -23.975 (mp-aaaaaqib) | -40.016 (oqmd-31359) | [3] Tu 2009 | Table 3, p. 4, row 12 report |
Other properties
Phase transition (25)
| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---|---|---|---|---|---|---|
| Phase transition | 1113.15 K | 1113.15 | congruent melting: L -> βZn3P2 L: P 0.4; βZn3P2: P 0.4 | experimental | [2] Ghasemi 2019 cites Ugai 1968 | Table 4, p. 6, row 15 report | |
| Phase transition | 1118.15 K | 1118.15 | polymorphic: αZn3P2 -> βZn3P2 αZn3P2: P 0.4; βZn3P2: P 0.4 | experimental | [2] Ghasemi 2019 cites Pistorius 1977 | Table 4, p. 6, row 8 report | |
| Phase transition | 1123.15 K | 1123.15 | polymorphic: αZn3P2 -> βZn3P2 αZn3P2: P 0.4; βZn3P2: P 0.4 | experimental | [2] Ghasemi 2019 cites Schneider 1973 | Table 4, p. 6, row 7 report | |
| Phase transition | 1123.15 K | 1123.15 | polymorphic: αZn3P2 -> βZn3P2 αZn3P2: P 0.4; βZn3P2: P 0.4 | model | [2] Ghasemi 2019 | Table 4, p. 6, row 11 report | |
| Phase transition | 1153.15 K | 1153.15 | polymorphic: αZn3P2 -> βZn3P2 αZn3P2: P 0.4; βZn3P2: P 0.4 | experimental | [2] Ghasemi 2019 cites Berak 1969 | Table 4, p. 6, row 9 report | |
| Phase transition | 1261.15 K | 1261.15 | polymorphic: αZnP2 -> βZnP2 αZnP2: P 0.666667; βZnP2: P 0.666667 | model | [2] Ghasemi 2019 | Table 4, p. 6, row 26 report | |
| Phase transition | 1263.15 K | 1263.15 | polymorphic: αZnP2 -> βZnP2 αZnP2: P 0.666; βZnP2: P 0.666667 | experimental | [2] Ghasemi 2019 cites Berak 1969 | Table 4, p. 6, row 24 report | |
| Phase transition | 1263.15 K | 1263.15 | polymorphic: αZnP2 -> βZnP2 αZnP2: P 0.666667; βZnP2: P 0.666667 | model | [2] Ghasemi 2019 | Table 4, p. 6, row 25 report | |
| Phase transition | 1307.15 K | 1307.15 | congruent melting: L -> ZnP2 L: P 0.00667; ZnP2: P 0.666667 | unspecified | [1] Liu 2016 cites Tu 2009 doi | Table 5, p. 6, row 12 report | |
| Phase transition | 1311.15 K | 1311.15 | congruent melting: L -> βZnP2 L: P 0.666667; βZnP2: P 0.666667 | model | [2] Ghasemi 2019 | Table 4, p. 6, row 30 report | |
| Phase transition | 1311.55 K | 1311.55 | congruent melting: L -> ZnP2 L: P 0.00667; ZnP2: P 0.666667 | unspecified | [1] Liu 2016 | Table 5, p. 6, row 11 report | |
| Phase transition | 1312.15 K | 1312.15 | congruent melting: L -> βZnP2 L: P 0.666667; βZnP2: P 0.666667 | model | [2] Ghasemi 2019 | Table 4, p. 6, row 29 report | |
| Phase transition | 1313.15 K | 1313.15 | congruent melting: L -> ZnP2 L: P 0.00667; ZnP2: P 0.666667 | experimental | [1] Liu 2016 cites Dutkiewlcz 1991 doi | Table 5, p. 6, row 13 report | |
| Phase transition | 1313.15 K | 1313.15 | congruent melting: L -> βZnP2 L: P 0.666; βZnP2: P 0.666 | experimental | [2] Ghasemi 2019 cites Berak 1969 | Table 4, p. 6, row 28 report | |
| Phase transition | 1313.15 K | 1313.15 | congruent melting: L -> βZnP2 L: P 0.666667; βZnP2: P 0.666667 | model | [2] Ghasemi 2019 | Table 4, p. 6, row 31 report | |
| Phase transition | 1313.15 K | 1313.15 | βZnP2 + liquid | experimental | [2] Ghasemi 2019 cites Berak 1969 | p. 3 report | Furthermore, βZnP2 melts at 1040 ∘ C and undergoes the α → β transformation at 990 ∘ C as reported by Berak and Pruchnik [35]. |
| Phase transition | 1433.15 K | 1433.15 | congruent melting: L -> βZn3P2 L: P 0.4; βZn3P2: P 0.4 | experimental | [2] Ghasemi 2019 cites Schneider 1973 | Table 4, p. 6, row 13 report | |
| Phase transition | 1433.15 K | 1433.15 | βZn3P2 + liquid | experimental | [2] Ghasemi 2019 cites Schneider 1973 | p. 2 report | The α → β transformation of this phase occurs at 850 ∘ C, while the melting of βZn3 P2 occurs at 1160 ∘ C and according to Schneider and Krumnacker [36]. |
| Phase transition | 1436.15 K | 1436.15 | congruent melting: L -> βZn3P2 L: P 0.4; βZn3P2: P 0.4 | model | [2] Ghasemi 2019 | Table 4, p. 6, row 18 report | |
| Phase transition | 1437.15 K | 1437.15 | congruent melting: L -> βZn3P2 L: P 0.4; βZn3P2: P 0.4 | model | [2] Ghasemi 2019 | Table 4, p. 6, row 16 report | |
| Phase transition | 1438.15 K | 1438.15 | congruent melting: L -> βZn3P2 L: P 0.4; βZn3P2: P 0.4 | model | [2] Ghasemi 2019 | Table 4, p. 6, row 17 report | |
| Phase transition | 1443.15 K | 1443.15 | congruent melting: L -> Zn3P2 L: P 0.004; Zn3P2: P 0.4 | unspecified | [1] Liu 2016 cites Tu 2009 doi | Table 5, p. 6, row 6 report | |
| Phase transition | 1446.15 K | 1446.15 | congruent melting: L -> Zn3P2 L: P 0.004; Zn3P2: P 0.4 | experimental | [1] Liu 2016 cites Dutkiewlcz 1991 doi | Table 5, p. 6, row 7 report | |
| Phase transition | 1448.15 K | 1448.15 | congruent melting: L -> Zn3P2 L: P 0.004; Zn3P2: P 0.4 | unspecified | [1] Liu 2016 | Table 5, p. 6, row 5 report | |
| Phase transition | 1466.15 K | 1466.15 | congruent melting: L -> βZn3P2 L: P 0.4; βZn3P2: P 0.4 | experimental | [2] Ghasemi 2019 cites Berak 1969 | Table 4, p. 6, row 14 report |
Formation (14)
| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---|---|---|---|---|---|---|
| Gibbs energy of formation printed: ΔfG298 | -31.7414 kJ/mol-atom | 298.15 | Zn3P2 alloy: Zn 0.6 | model | [1] Liu 2016 | Table 4, p. 6, row 1 report | |
| Gibbs energy of formation printed: ΔfG298 | -33.762 kJ/mol-atom | 298.15 | Zn3P2 alloy: P 0.4, Zn 0.6 | model | [3] Tu 2009 | Table 3, p. 4, row 10 report | |
| Gibbs energy of formation printed: ΔfG°298 | -168.81 kJ/mol (basis unstated) | 298.15 | Zn3P2 alloy: Zn 0.6 | model | [2] Ghasemi 2019 cites Tu 2009 doi | Table 2, p. 3, row 2 report | |
| Gibbs energy of formation printed: ΔfG298 | -36.02 kJ/mol-atom ± 13000 | 298.15 | Zn3P2 alloy: Zn 0.6 | unspecified | [1] Liu 2016 cites Sirota 2016 | Table 4, p. 6, row 2 report | |
| Gibbs energy of formation printed: ΔfG298 | -36.02 kJ/mol-atom ± 2.6 | 298.15 | Zn3P2 alloy: P 0.4, Zn 0.6 | experimental | [3] Tu 2009 cites Sirota 1975 | Table 3, p. 4, row 6 report | |
| Gibbs energy of formation printed: ΔfG298 | -33.762 kJ/mol-atom | 298.15 | Zn3P2 alloy: Zn 0.6 | model | [1] Liu 2016 cites Tu 2009 doi | Table 4, p. 6, row 6 report | |
| Gibbs energy of formation printed: ΔfG°298 | -158.707 kJ/mol (basis unstated) | 298.15 | Zn3P2 alloy: Zn 0.6 | model | [2] Ghasemi 2019 cites Liu 2016 doi | Table 2, p. 3, row 1 report | |
| Gibbs energy of formation printed: ΔfG298 | -40.9667 kJ/mol-atom ± 1.83333 | 298.15 | ZnP2 alloy: P 0.666667, Zn 0.333333 | experimental | [3] Tu 2009 cites Sirota 1975 | Table 3, p. 4, row 11 report | |
| Gibbs energy of formation printed: ΔfG°298 | -118.032 kJ/mol (basis unstated) | 298.15 | ZnP2 alloy: Zn 0.333333 | model | [2] Ghasemi 2019 cites Liu 2016 doi | Table 2, p. 3, row 11 report | |
| Gibbs energy of formation printed: ΔfG°298 | -126.2 kJ/mol (basis unstated) | 298.15 | ZnP2 alloy: Zn 0.333333 | model | [2] Ghasemi 2019 cites Tu 2009 doi | Table 2, p. 3, row 12 report | |
| Gibbs energy of formation printed: ΔfG298 | -122.9 kJ/mol (basis unstated) ± 5.5 | 298.15 | ZnP2 alloy: Zn 0.333333 | unspecified | [1] Liu 2016 cites Sirota 2016 | Table 4, p. 6, row 8 report | |
| Gibbs energy of formation printed: ΔfG298 | -126.2 kJ/mol (basis unstated) | 298.15 | ZnP2 alloy: Zn 0.333333 | model | [1] Liu 2016 cites Tu 2009 doi | Table 4, p. 6, row 9 report | |
| Gibbs energy of formation printed: ΔfG298 | -42.0667 kJ/mol-atom | 298.15 | ZnP2 alloy: P 0.666667, Zn 0.333333 | model | [3] Tu 2009 | Table 3, p. 4, row 12 report | |
| Gibbs energy of formation printed: ΔfG298 | -118.032 kJ/mol (basis unstated) | 298.15 | ZnP2 alloy: Zn 0.333333 | model | [1] Liu 2016 | Table 4, p. 6, row 7 report |
Crystal structure (8)
| Property | Value | T (K) | Phases / composition | Class | Source | Location | Quote |
|---|---|---|---|---|---|---|---|
| Lattice a | 5.08 Å | β-Zn3P2 alloy: Zn 0.6 | experimental | [1] Liu 2016 cites Berak 1969 | Table 1, p. 3, row 6 report | ||
| Lattice a | 8.85 Å | β-ZnP2 alloy: Zn 0.333333 | experimental | [1] Liu 2016 cites Hegyi 1963 doi | Table 1, p. 3, row 5 report | ||
| Lattice a | 8.089 Å | 298.15 | α-Zn3P2 alloy: Zn 0.6 | experimental | [1] Liu 2016 cites Pistorius 1977 | Table 1, p. 3, row 4 report | |
| Lattice a | 5.08 Å | 298.15 | α-ZnP2 alloy: Zn 0.333333 | experimental | [1] Liu 2016 cites Hegyi 1963 doi | Table 1, p. 3, row 3 report | |
| Lattice b | 7.29 Å | β-ZnP2 alloy: Zn 0.333333 | experimental | [1] Liu 2016 cites Hegyi 1963 doi | Table 1, p. 3, row 5 report | ||
| Lattice c | 7.56 Å | β-ZnP2 alloy: Zn 0.333333 | experimental | [1] Liu 2016 cites Hegyi 1963 doi | Table 1, p. 3, row 5 report | ||
| Lattice c | 11.407 Å | 298.15 | α-Zn3P2 alloy: Zn 0.6 | experimental | [1] Liu 2016 cites Pistorius 1977 | Table 1, p. 3, row 4 report | |
| Lattice c | 18.59 Å | 298.15 | α-ZnP2 alloy: Zn 0.333333 | experimental | [1] Liu 2016 cites Hegyi 1963 doi | Table 1, p. 3, row 3 report |
Sources
Reporting papers the values were read from (a value cited from another work names that work in its row).
- Ya Liu, Bin Zhou, Wei Lv, Changjun Wu, Xuping Su, Jianhua Wang, Experimental investigation and thermodynamic assessment of the Zn–Si–P system, Surface and Coatings Technology 306, 370-377 (2016). doi:10.1016/j.surfcoat.2016.01.016
- Masoomeh Ghasemi, E. Stutz, S. Escobar Steinvall, M. Zamani, A. Fontcuberta i Morral, Thermodynamic re-assessment of the Zn–P binary system, Materialia 6, 100301 (2019). doi:10.1016/j.mtla.2019.100301
- Hao Tu, Fucheng Yin, Xuping Su, Ya Liu, Xinming Wang, Experimental investigation and thermodynamic modeling of the Al–P–Zn ternary system, Calphad 33, 755-760 (2009). doi:10.1016/j.calphad.2009.10.003