Thermodynamic assessment of the Ga–X (X=B, Ca, Sr, Ba) systems supported by first-principles calculations

Xi Li, Kaiming Cheng, Xiaoming Yuan, Dongdong Zhao, Jinghua Xin, Weiwei Wang, Cong Zhang, Yong Du

Calphad 43 52-60 (2013) · Elsevier BV

DOI: 10.1016/j.calphad.2013.09.002

Data: JSON record · id doi:10.1016/j.calphad.2013.09.002 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 119 released values
• assessment behind a TDB file: BaGa-13Li.tdb (Ba–Ga), CaGa-13Li-1.tdb (Ca–Ga), CaGa-13Li-2.tdb (Ca–Ga), GaB-13Li.tdb (B–Ga), GaSr-13Li.tdb (Ga–Sr)
• discovery lead (found by Crossref assessment discovery, not read): rank 1043, score 93; systems named in title: none

Systems

Ba, Ca, Ga, Sr, B–Ga, Ba–Ga, Ca–Ga, Ga–Sr, B–Ba–Ca–Ga–Sr

Evidence in ORCHID

119 values read from this paper (119 accepted), from 3 tables and 0 text passages.

ESPEI datasets derived: 31 (derived/invariant-brackets/CA-GA/CaGa-07Wan.zpf-00.json …).

Phase-registry phases citing it: phase:b-ga:a11-orthorhombic, phase:b-ga:b-alpha-rhombo, phase:b-ga:b-beta-rhombo, phase:b-ga:bcc-a2, phase:b-ga:fcc-a1, phase:b-ga:hcp-a3, phase:b-ga:liquid, phase:ba-ga:a11-orthorhombic, phase:ba-ga:ba10ga, phase:ba-ga:ba5ga6, phase:ba-ga:ba8ga7, phase:ba-ga:baga2-c32, phase:ba-ga:baga4-d13, phase:ba-ga:bcc-a2, phase:ba-ga:fcc-a1, phase:ba-ga:hcp-a3, phase:ba-ga:liquid, phase:ca-ga:a11-orthorhombic, phase:ca-ga:bcc-a2, phase:ca-ga:ca11ga7 …

Availability

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

Relations

Cited by (Crossref reference lists) (4)

• Experimental investigation and thermodynamic modeling of the Mo–Co–B ternary system (2021) [crossref_reference_list]
• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Development of a prototype thermodynamic database for Nd-Fe-B permanent magnets (2021) [crossref_reference_list]
• Development of a Prototype Thermodynamic Database for Nd-Fe-B Permanent Magnets (2022) [crossref_reference_list]

References (Crossref, publisher-deposited) (28)

• Elektronenmangelverbindungen des Galliums Zur Kenntnis von Ca₃Ga₅ (1986) [crossref_reference_list]
• The Ba-Ga (Barium-Gallium) system (1991) [crossref_reference_list]
• The Ga-Sr (gallium-strontium) system (1992) [crossref_reference_list]
• Thermodynamics of Ca-Ga alloys (1999) [crossref_reference_list]
• First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009) [crossref_reference_list]
• Investigations on the constitution of certain binary boron-metal systems (1965) [crossref_reference_list]
• M5X3 intermediate phases formed by Ca, Sr and Ba (1978) [crossref_reference_list]
• The pseudobinary systems SrAg1−xZnx, CaCu1−xGax and CaCu1−xGex and their use for testing structural maps (1986) [crossref_reference_list]
• Crystallographic studies of the systems MA12-MGa2 (M ≡ Yb, Ca, Eu, Sr) (1987) [crossref_reference_list]
• Re-examination of the Ca-Ga system and crystal structure of CaGa4, a monoclinic distortion of the BaAl4 type (1989) [crossref_reference_list]
• The Thermo-Calc databank system (1985) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Ba5Ga6: a phase with octahedral clusters of gallium (1994) [crossref_reference_list]
• Thermodynamic properties of the Al–Fe–Ni system acquired via a hybrid approach combining calorimetry, first-principles and CALPHAD (2009) [crossref_reference_list]
• A new equation for the temperature dependence of the excess Gibbs energy of solution phases (2004) [crossref_reference_list]
• Thermodynamic description of the Ca–Ga system (2007) [crossref_reference_list]
• Thermodynamic modeling of the Mg–Si system with the Kaptay equation for the excess Gibbs energy of the liquid phase (2009) [crossref_reference_list]
• Thermodynamic modeling of the Ge–Sc system supported by key experiments and first-principles calculation (2012) [crossref_reference_list]
• A thermodynamic description of the Al–Fe–Si system over the whole composition and temperature ranges via a hybrid approach of CALPHAD and key experiments (2008) [crossref_reference_list]
• A new approach to establish both stable and metastable phase equilibria for fcc ordered/disordered phase transition: application to the Al–Ni and Ni–Si systems (2012) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [crossref_reference_list]
• THE LITHIUM-STRONTIUM EQUILIBRIUM SYSTEM (1962) [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]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
• Coefficients of thermal expansion for face-centered cubic and body-centered cubic calcium (1959) [crossref_reference_list]
• MX₄compounds of alkaline earth metals with IIIB group elements (1965) [crossref_reference_list]
• The crystal structure of Ca₁₁Ga₇ (1989) [crossref_reference_list]

Cites (values carry this citation) (11)

• Elektronenmangelverbindungen des Galliums Zur Kenntnis von Ca₃Ga₅ (1986) — 3 values [orchid_extraction]
• The pseudobinary systems SrAg1−xZnx, CaCu1−xGax and CaCu1−xGex and their use for testing structural maps (1986) — 3 values [orchid_extraction]
• Re-examination of the Ca-Ga system and crystal structure of CaGa4, a monoclinic distortion of the BaAl4 type (1989) — 3 values [orchid_extraction]
• Thermodynamics of Ca-Ga alloys (1999) — 2 values [orchid_extraction]
• M5X3 intermediate phases formed by Ca, Sr and Ba (1978) — 2 values [orchid_extraction]
• Crystallographic studies of the systems MA12-MGa2 (M ≡ Yb, Ca, Eu, Sr) (1987) — 2 values [orchid_extraction]
• Ba5Ga6: a phase with octahedral clusters of gallium (1994) — 2 values [orchid_extraction]
• MX₄compounds of alkaline earth metals with IIIB group elements (1965) — 2 values [orchid_extraction]
• THE LITHIUM-STRONTIUM EQUILIBRIUM SYSTEM (1962) — 1 values [orchid_extraction]
• Coefficients of thermal expansion for face-centered cubic and body-centered cubic calcium (1959) — 1 values [orchid_extraction]
• The crystal structure of Ca₁₁Ga₇ (1989) — 1 values [orchid_extraction]

TDB files modelling its system (6)

• tdb:BaGa-13Li.tdb [sgte_tdb_header]
• tdb:CaGa-13Li-1.tdb [orchid_literature_model_link]
• tdb:CaGa-13Li-1.tdb [sgte_tdb_header]
• tdb:CaGa-13Li-2.tdb [sgte_tdb_header]
• tdb:GaB-13Li.tdb [sgte_tdb_header]
• tdb:GaSr-13Li.tdb [sgte_tdb_header]

Reassesses (cites an earlier assessment of the same system) (1)

• Thermodynamic description of the Ca–Ga system (2007) [citation+same-system]

Data papers used (11)

• Elektronenmangelverbindungen des Galliums Zur Kenntnis von Ca₃Ga₅ (1986) — 3 values [orchid_extraction]
• The pseudobinary systems SrAg1−xZnx, CaCu1−xGax and CaCu1−xGex and their use for testing structural maps (1986) — 3 values [orchid_extraction]
• Re-examination of the Ca-Ga system and crystal structure of CaGa4, a monoclinic distortion of the BaAl4 type (1989) — 3 values [orchid_extraction]
• Thermodynamics of Ca-Ga alloys (1999) — 2 values [orchid_extraction]
• M5X3 intermediate phases formed by Ca, Sr and Ba (1978) — 2 values [orchid_extraction]
• Crystallographic studies of the systems MA12-MGa2 (M ≡ Yb, Ca, Eu, Sr) (1987) — 2 values [orchid_extraction]
• Ba5Ga6: a phase with octahedral clusters of gallium (1994) — 2 values [orchid_extraction]
• MX₄compounds of alkaline earth metals with IIIB group elements (1965) — 2 values [orchid_extraction]
• THE LITHIUM-STRONTIUM EQUILIBRIUM SYSTEM (1962) — 1 values [orchid_extraction]
• Coefficients of thermal expansion for face-centered cubic and body-centered cubic calcium (1959) — 1 values [orchid_extraction]
• The crystal structure of Ca₁₁Ga₇ (1989) — 1 values [orchid_extraction]