Intermetallics in the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>Mg</mml:mi><mml:mtext>−</mml:mtext><mml:mi>Ca</mml:mi><mml:mtext>−</mml:mtext><mml:mi>Sn</mml:mi></mml:mrow></mml:math>ternary system: Structural, vibrational, and thermodynamic properties from first principles

Raymundo Arróyave, Zi-Kui Liu

Physical Review B 74 (17) 174118 (2006) · American Physical Society (APS)

DOI: 10.1103/physrevb.74.174118

Data: JSON record · id doi:10.1103/physrevb.74.174118 · metadata: crossref

Roles in ORCHID

cited as the original source of values

Systems

Evidence in ORCHID

2 values in 1 other papers cite this work as their source.

Cited values by evidence class
dft	2

Availability

Read by ORCHID: no. Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 47 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (9)

First-Principles Calculations and CALPHAD Modeling of Thermodynamics (2009) [crossref_reference_list]
Solvus boundaries of (meta)stable phases in the Al–Mg–Si system: First-principles phonon calculations and thermodynamic modeling (2010) [crossref_reference_list]
First-principles calculations and thermodynamic modeling of the Sn−Sr and Mg−Sn−Sr systems (2014) [crossref_reference_list]
First-principles calculations and thermodynamic modeling of the Sn-Ta system (2017) [crossref_reference_list]
Phase equilibria, thermodynamics and solidification microstructures of Mg–Sn–Ca alloys, Part 1: Experimental investigation and thermodynamic modeling of the ternary Mg–Sn–Ca system (2008) [crossref_reference_list]
Enthalpies of formation of magnesium compounds from first-principles calculations (2009) [crossref_reference_list]
Heat capacity of η-AlFe (Fe2Al5) (2016) [crossref_reference_list]
First-principle studies of Ca–X (X=Si,Ge,Sn,Pb) intermetallic compounds (2010) [crossref_reference_list]
Density-functional study of the thermodynamic properties and the pressure–temperature phase diagram of Ti (2009) [crossref_reference_list]

References (Crossref, publisher-deposited) (11)

Thermochemical Data of Pure Substances (1995) [crossref_reference_list]
Linking first-principles energetics to CALPHAD: An application to thermodynamic modeling of the Al-Ca binary system (2005) [crossref_reference_list]
A thermochemical study of some selected laves phases (1964) [crossref_reference_list]
Cohesion in alloys — fundamentals of a semi-empirical model (1980) [crossref_reference_list]
Thermodynamic properties of Al, Ni, NiAl, and Ni3Al from first-principles calculations (2004) [crossref_reference_list]
A combined CALPHAD/first-principles remodeling of the thermodynamics of Al–Sr: unsuspected ground state energies by “rounding up the (un)usual suspects” (2004) [crossref_reference_list]
Thermodynamic modeling of the Ca–Sn system based on finite temperature quantities from first-principles and experiment (2006) [crossref_reference_list]
Thermodynamic modelling of the Zn–Zr system (2006) [crossref_reference_list]
Optimisation of the Mg-Sn System (1993) [crossref_reference_list]
Study of the phase transformations and equation of state of magnesium by synchrotron x-ray diffraction (2003) [crossref_reference_list]
From ultrasoft pseudopotentials to the projector augmented-wave method (1999) [crossref_reference_list]

Cited for values by (1)

First-principles calculations and thermodynamic modeling of the Sn−Sr and Mg−Sn−Sr systems (2014) — 2 values [orchid_extraction]

Used in (assessments / papers that took values from it) (1)

First-principles calculations and thermodynamic modeling of the Sn−Sr and Mg−Sn−Sr systems (2014) — 2 values [orchid_extraction]