Thermodynamic modeling of the Ca–In and Ca–Sb systems supported with first-principles calculations

Song Qin, Shuhong Liu, Cong Zhang, Jinghua Xin, Yao Wang, Yong Du

Calphad 48 35-42 (2015) · Elsevier BV

DOI: 10.1016/j.calphad.2014.10.008

Data: JSON record · id doi:10.1016/j.calphad.2014.10.008 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 93 released values
• assessment behind a TDB file: CaIn-15Qin.tdb (Ca–In), CaSb-15Qin.tdb (Ca–Sb)

Systems

In, Sb, Ca–In, Ca–Sb, Ca–In–Sb

Evidence in ORCHID

93 values read from this paper (90 accepted), from 3 tables and 3 text passages.

ESPEI datasets derived: 7 (dft/literature/CA-IN/CaIn-13Wan.CAIN.json …).

Phase-registry phases citing it: phase:ca-in:a6-tetragonal, phase:ca-in:bcc-a2, phase:ca-in:bcc-b2, phase:ca-in:ca8in3, phase:ca-in:cain, phase:ca-in:cain2, phase:ca-in:fcc-a1, phase:ca-in:hcp-a3, phase:ca-in:liquid, phase:ca-sb:a7-rhombohedral, phase:ca-sb:bcc-a2, phase:ca-sb:ca11sb10, phase:ca-sb:ca2sb, phase:ca-sb:ca5sb3-d88, phase:ca-sb:casb2, phase:ca-sb:fcc-a1, phase:ca-sb:hcp-a3, phase:ca-sb:liquid

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) (1)

• The SGTE collection of binary datasets (2025) [crossref_reference_list]

References (Crossref, publisher-deposited) (24)

• MX₂‐Verbindungen der Erdalkali‐ und Seltenen Erdmetalle mit Gallium, Indium und Thallium (1964) [crossref_reference_list]
• Thermodynamic Basis and Related Phase Equilibria for In-Na and In-Ca Binary Systems (2013) [crossref_reference_list]
• Thermodynamic modeling of ordered phases in the NiAl system (1988) [crossref_reference_list]
• The equilibrium diagram of the calcium-indium system (1964) [crossref_reference_list]
• The Thermo-Calc databank system (1985) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Ab initio calculations and thermodynamic modeling for the Fe–Mn–Nb system (2012) [crossref_reference_list]
• Determination and modeling of the thermodynamic properties of liquid calcium–antimony alloys (2012) [crossref_reference_list]
• Experimental study and thermodynamic re-assessment of the binary Fe–Ta system (2011) [crossref_reference_list]
• Thermodynamic re-assessment of the ternary system Al-Cr-Ni (2001) [crossref_reference_list]
• Thermodynamic assessment of the NiY system (1996) [crossref_reference_list]
• Thermodynamic assessment of the Al-Ni system (1997) [crossref_reference_list]
• Solid state phase equilibria in the Pt–Sb–Te system (1997) [crossref_reference_list]
• Hydrogen in Polar Intermetallics. Binary Pnictides of Divalent Metals with Mn₅Si₃-type Structures and Their Isotypic Ternary Hydride Solutions (2006) [crossref_reference_list]
• Algebraic Representation of Thermodynamic Properties and the Classification of Solutions (1948) [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]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
• On the structure of Ca8In3 (1988) [crossref_reference_list]
• Coefficients of thermal expansion for face-centered cubic and body-centered cubic calcium (1959) [crossref_reference_list]
• Calorimetric Study Coupled With A Numerical Optimization Technique For The Ca-Sb System (1999) [crossref_reference_list]
• Die Kristallstrukturen der Verbindungen Ca₂Sb und Ca₂Bi / The Crystal Structures of Ca₂Sb and Ca₂Bi (1974) [crossref_reference_list]
• Zur Kenntnis von Ca₁₁Sb₁₀ und Ca₁₁Bi₁₀ (1976) [crossref_reference_list]

Cites (values carry this citation) (10)

• Calorimetric Study Coupled With A Numerical Optimization Technique For The Ca-Sb System (1999) — 10 values [orchid_extraction]
• The equilibrium diagram of the calcium-indium system (1964) — 8 values [orchid_extraction]
• On the structure of Ca8In3 (1988) — 6 values [orchid_extraction]
• Zur Kenntnis von Ca₁₁Sb₁₀ und Ca₁₁Bi₁₀ (1976) — 6 values [orchid_extraction]
• MX₂‐Verbindungen der Erdalkali‐ und Seltenen Erdmetalle mit Gallium, Indium und Thallium (1964) — 2 values [orchid_extraction]
• Solid state phase equilibria in the Pt–Sb–Te system (1997) — 2 values [orchid_extraction]
• Hydrogen in Polar Intermetallics. Binary Pnictides of Divalent Metals with Mn₅Si₃-type Structures and Their Isotypic Ternary Hydride Solutions (2006) — 2 values [orchid_extraction]
• Die Kristallstrukturen der Verbindungen Ca₂Sb und Ca₂Bi / The Crystal Structures of Ca₂Sb and Ca₂Bi (1974) — 2 values [orchid_extraction]
• Determination and modeling of the thermodynamic properties of liquid calcium–antimony alloys (2012) — 1 values [orchid_extraction]
• Coefficients of thermal expansion for face-centered cubic and body-centered cubic calcium (1959) — 1 values [orchid_extraction]

TDB files modelling its system (2)

• tdb:CaIn-15Qin.tdb [sgte_tdb_header]
• tdb:CaSb-15Qin.tdb [sgte_tdb_header]

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

• Thermodynamic Basis and Related Phase Equilibria for In-Na and In-Ca Binary Systems (2013) [citation+same-system]

Data papers used (10)

• Calorimetric Study Coupled With A Numerical Optimization Technique For The Ca-Sb System (1999) — 10 values [orchid_extraction]
• The equilibrium diagram of the calcium-indium system (1964) — 8 values [orchid_extraction]
• On the structure of Ca8In3 (1988) — 6 values [orchid_extraction]
• Zur Kenntnis von Ca₁₁Sb₁₀ und Ca₁₁Bi₁₀ (1976) — 6 values [orchid_extraction]
• MX₂‐Verbindungen der Erdalkali‐ und Seltenen Erdmetalle mit Gallium, Indium und Thallium (1964) — 2 values [orchid_extraction]
• Solid state phase equilibria in the Pt–Sb–Te system (1997) — 2 values [orchid_extraction]
• Hydrogen in Polar Intermetallics. Binary Pnictides of Divalent Metals with Mn₅Si₃-type Structures and Their Isotypic Ternary Hydride Solutions (2006) — 2 values [orchid_extraction]
• Die Kristallstrukturen der Verbindungen Ca₂Sb und Ca₂Bi / The Crystal Structures of Ca₂Sb and Ca₂Bi (1974) — 2 values [orchid_extraction]
• Determination and modeling of the thermodynamic properties of liquid calcium–antimony alloys (2012) — 1 values [orchid_extraction]
• Coefficients of thermal expansion for face-centered cubic and body-centered cubic calcium (1959) — 1 values [orchid_extraction]