A combined first-principles calculation and thermodynamic modeling of the F–K–Na system

Shengjun Zhang, Carl Brubaker, Chao Jiang, Mei Yang, Yu Zhong, Qingyou Han, Zi-Kui Liu

Materials Science and Engineering: A 418 (1-2) 161-171 (2006) · Elsevier BV

DOI: 10.1016/j.msea.2005.11.037

Data: JSON record · id doi:10.1016/j.msea.2005.11.037 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 71 released values
• assessment behind a TDB file: KF-06Zha.tdb (F–K), KNa-06Zha.tdb (K–Na), NaF-06Zha.tdb (F–Na)
• discovery lead (found by Crossref assessment discovery, not read): rank 2448, score 44; systems named in title: F–K–Na

Systems

K, Na, F–K, F–Na, K–Na, F–K–Na

Evidence in ORCHID

71 values read from this paper (67 accepted), from 5 tables and 4 text passages.

ESPEI datasets derived: 8 (derived/invariant-brackets/K-NA/KNa-06Zha.zpf-00.json …).

Phase-registry phases citing it: phase:f-k:bcc-a2, phase:f-k:fcc-a1, phase:f-k:gas, phase:f-k:hcp-a3, phase:f-k:ion, phase:f-k:kf-b1, phase:f-k:liquid, phase:f-na:bcc-a2, phase:f-na:fcc-a1, phase:f-na:gas, phase:f-na:hcp-a3, phase:f-na:ion, phase:f-na:liquid, phase:f-na:naf-b1, phase:k-na:bcc-a2, phase:k-na:fcc-a1, phase:k-na:hcp-a3, phase:k-na:kna2-c14, phase:k-na:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 16 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (3)

• First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009) [crossref_reference_list]
• Thermodynamic assessments of six binary systems of alkali metals (2011) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]

References (Crossref, publisher-deposited) (17)

• Über die Schmeltztemperaturen der Legierungen des Natriums mit Kalium (1902) [crossref_reference_list]
• Crystal structures of the elements at 25°C (1981) [crossref_reference_list]
• Temperature-dependent allotropic structures of the elements (1982) [crossref_reference_list]
• Compression and polymorphism of potassium to 400 kbar (1986) [crossref_reference_list]
• Modification of the two-sublattice model for liquids (1991) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
• Low Temperature Heat Capacities and Related Properties of Potassium and Na₂K (1957) [crossref_reference_list]
• Miscibility of Liquid Metals with Salts. I. The Sodium-Sodium Halide Systems¹ (1955) [crossref_reference_list]
• Solid-liquid phase equilibria in the sodium + potassium system (1969) [crossref_reference_list]
• Precision Measurements of Crystals of the Alkali Halides (1923) [crossref_reference_list]
• Special points for Brillouin-zone integrations (1976) [crossref_reference_list]
• Efficient iterative schemes for <i>ab initio</i> total-energy calculations using a plane-wave basis set (1996) [crossref_reference_list]
• From ultrasoft pseudopotentials to the projector augmented-wave method (1999) [crossref_reference_list]
• AN INVESTIGATION OF THE SODIUM-POTASSIUM EQUILIBRIUM DIAGRAM (1956) [crossref_reference_list]
• Neubestimmung der Gitterkonstanten von KF, C₈Cl und BaF₂ (1929) [crossref_reference_list]
• Phase Relations in the Systems NaF-LiF, NaF-KF, and NaF-RbF. (1965) [crossref_reference_list]

Cites (values carry this citation) (9)

• Über die Schmeltztemperaturen der Legierungen des Natriums mit Kalium (1902) — 2 values [orchid_extraction]
• Low Temperature Heat Capacities and Related Properties of Potassium and Na₂K (1957) — 2 values [orchid_extraction]
• Miscibility of Liquid Metals with Salts. I. The Sodium-Sodium Halide Systems¹ (1955) — 2 values [orchid_extraction]
• Solid-liquid phase equilibria in the sodium + potassium system (1969) — 2 values [orchid_extraction]
• AN INVESTIGATION OF THE SODIUM-POTASSIUM EQUILIBRIUM DIAGRAM (1956) — 2 values [orchid_extraction]
• Compression and polymorphism of potassium to 400 kbar (1986) — 1 values [orchid_extraction]
• Precision Measurements of Crystals of the Alkali Halides (1923) — 1 values [orchid_extraction]
• Neubestimmung der Gitterkonstanten von KF, C₈Cl und BaF₂ (1929) — 1 values [orchid_extraction]
• Phase Relations in the Systems NaF-LiF, NaF-KF, and NaF-RbF. (1965) — 1 values [orchid_extraction]

TDB files modelling its system (5)

• tdb:KF-06Zha.tdb [sgte_tdb_header]
• tdb:KF-06Zha.tdb [orchid_literature_model_link]
• tdb:KNa-06Zha.tdb [sgte_tdb_header]
• tdb:NaF-06Zha.tdb [sgte_tdb_header]
• tdb:NaF-06Zha.tdb [orchid_literature_model_link]

Reassessed by (1)

• Thermodynamic assessments of six binary systems of alkali metals (2011) [citation+same-system]

Data papers used (9)

• Über die Schmeltztemperaturen der Legierungen des Natriums mit Kalium (1902) — 2 values [orchid_extraction]
• Low Temperature Heat Capacities and Related Properties of Potassium and Na₂K (1957) — 2 values [orchid_extraction]
• Miscibility of Liquid Metals with Salts. I. The Sodium-Sodium Halide Systems¹ (1955) — 2 values [orchid_extraction]
• Solid-liquid phase equilibria in the sodium + potassium system (1969) — 2 values [orchid_extraction]
• AN INVESTIGATION OF THE SODIUM-POTASSIUM EQUILIBRIUM DIAGRAM (1956) — 2 values [orchid_extraction]
• Compression and polymorphism of potassium to 400 kbar (1986) — 1 values [orchid_extraction]
• Precision Measurements of Crystals of the Alkali Halides (1923) — 1 values [orchid_extraction]
• Neubestimmung der Gitterkonstanten von KF, C₈Cl und BaF₂ (1929) — 1 values [orchid_extraction]
• Phase Relations in the Systems NaF-LiF, NaF-KF, and NaF-RbF. (1965) — 1 values [orchid_extraction]