Thermodynamic Modeling of the Al-Ba and Ba-Ge Systems Supported by First-Principles Calculations

R. Benhafid, A. Belgacem Bouzida, Y. Djaballah, A. Candan, A. İyigör, G. Uğur

Journal of Phase Equilibria and Diffusion 40 (2) 195-205 (2019) · Springer Science and Business Media LLC

DOI: 10.1007/s11669-019-00714-2

Data: JSON record · id doi:10.1007/s11669-019-00714-2 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 238 released values
• assessment behind a TDB file: AlBa-19Ben.tdb (Al–Ba), BaGe-19Ben.tdb (Ba–Ge)

Systems

Al, Ba, Ge, Al–Ba, Ba–Ge

Evidence in ORCHID

238 values read from this paper (225 accepted), from 5 tables and 15 text passages.

ESPEI datasets derived: 24 (dft/literature/AL-BA/AlBa-16Bao.AL13BA7.json …).

Phase-registry phases citing it: phase:al-ba:al13ba7, phase:al-ba:al4ba-d13, phase:al-ba:al5ba3, phase:al-ba:al5ba4, phase:al-ba:bcc-a2, phase:al-ba:fcc-a1, phase:al-ba:hcp-a3, phase:al-ba:liquid, phase:ba-ge:a4-diamond, phase:ba-ge:ba2ge-c37, phase:ba-ge:ba3ge4-alpha, phase:ba-ge:ba3ge4-beta, phase:ba-ge:ba5ge3, phase:ba-ge:ba6ge25, phase:ba-ge:ba8ge43, phase:ba-ge:bage-b33, phase:ba-ge:bage2, phase:ba-ge:bcc-a2, phase:ba-ge:fcc-a1, phase:ba-ge:hcp-a3 …

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 7 (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)

• Ba3Ge4: Polymerization of Zintl Anions in the Solid and Bond Stretching Isomerism (1998) [crossref_reference_list]
• Preparation and Structure of a New Germanium Clathrate, Ba24Ge100 (2000) [crossref_reference_list]
• The Al-Ba (Aluminum-Barium) system (1993) [crossref_reference_list]
• Thermodynamics of aluminum-barium alloys (1991) [crossref_reference_list]
• Thermodynamic Assessment of the Al-Ba System (2016) [crossref_reference_list]
• The crystal structure of the Ba7AL13 phase (1975) [crossref_reference_list]
• The strontium-aluminium and barium-aluminium systems (1975) [crossref_reference_list]
• Determination calorimetrique de l'enthalpie de formation des alliages (Al, Ba) riches en aluminum (1982) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Calorimetric measurement of the intermetallic compounds Cr3Ga and CrGa4 and thermodynamic assessment of the (Cr–Ga) system (2005) [crossref_reference_list]
• The phase diagram of the Ba–Ge system (2008) [crossref_reference_list]
• Ba6Ge25: low-temperature Ge–Ge bond breaking during temperature-induced structure transformation (2005) [crossref_reference_list]
• The Barium–Strontium Equilibrium System (1956) [crossref_reference_list]
• BaGe₅: A New Type of Intermetallic Clathrate (2010) [crossref_reference_list]
• Lattice Parameters, Coefficients of Thermal Expansion, and Atomic Weights of Purest Silicon and Germanium (1952) [crossref_reference_list]
• X-Ray Diffractometer Determination of the Thermal Expansion Coefficient of Aluminum near Room Temperature (1963) [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]
• Ba3Al5, a simple atomic arrangement also present in more complex structures (1988) [crossref_reference_list]
• Alkaline earth silicides, germanides and stannides with CrB structure type (1967) [crossref_reference_list]
• Crystal structure of hexabarium pentacosagermanide, Ba6Ge25 (2000) [crossref_reference_list]
• Notizen: Darstellung und Kristallstruktur des Ba₂Ge / Preparation and Crystal structure of Ba₂Ge (1973) [crossref_reference_list]
• Notizen: Kristallstruktur von Bariumdigermanid bei hohen Drücken / Crystal Structure of Bariumdigermanide at High Pressures (1977) [crossref_reference_list]

Cites (values carry this citation) (19)

• The phase diagram of the Ba–Ge system (2008) — 29 values [orchid_extraction]
• Thermodynamic Assessment of the Al-Ba System (2016) — 11 values [orchid_extraction]
• The Al-Ba (Aluminum-Barium) system (1993) — 10 values [orchid_extraction]
• Thermodynamics of aluminum-barium alloys (1991) — 8 values [orchid_extraction]
• Ba3Ge4: Polymerization of Zintl Anions in the Solid and Bond Stretching Isomerism (1998) — 6 values [orchid_extraction]
• The crystal structure of the Ba7AL13 phase (1975) — 6 values [orchid_extraction]
• The strontium-aluminium and barium-aluminium systems (1975) — 5 values [orchid_extraction]
• The Barium–Strontium Equilibrium System (1956) — 5 values [orchid_extraction]
• Crystal structure of hexabarium pentacosagermanide, Ba6Ge25 (2000) — 5 values [orchid_extraction]
• Ba3Al5, a simple atomic arrangement also present in more complex structures (1988) — 4 values [orchid_extraction]
• Preparation and Structure of a New Germanium Clathrate, Ba24Ge100 (2000) — 3 values [orchid_extraction]
• Ba6Ge25: low-temperature Ge–Ge bond breaking during temperature-induced structure transformation (2005) — 3 values [orchid_extraction]
• BaGe₅: A New Type of Intermetallic Clathrate (2010) — 3 values [orchid_extraction]
• Lattice Parameters, Coefficients of Thermal Expansion, and Atomic Weights of Purest Silicon and Germanium (1952) — 3 values [orchid_extraction]
• Alkaline earth silicides, germanides and stannides with CrB structure type (1967) — 3 values [orchid_extraction]
• Notizen: Darstellung und Kristallstruktur des Ba₂Ge / Preparation and Crystal structure of Ba₂Ge (1973) — 3 values [orchid_extraction]
• Notizen: Kristallstruktur von Bariumdigermanid bei hohen Drücken / Crystal Structure of Bariumdigermanide at High Pressures (1977) — 3 values [orchid_extraction]
• X-Ray Diffractometer Determination of the Thermal Expansion Coefficient of Aluminum near Room Temperature (1963) — 2 values [orchid_extraction]
• Untersuchungen über das System Aluminium*Barium (1934) — 1 values [orchid_extraction]

TDB files modelling its system (4)

• tdb:AlBa-19Ben.tdb [sgte_tdb_header]
• tdb:AlBa-19Ben.tdb [orchid_literature_model_link]
• tdb:BaGe-19Ben.tdb [sgte_tdb_header]
• tdb:BaGe-19Ben.tdb [orchid_literature_model_link]

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

• Thermodynamic Assessment of the Al-Ba System (2016) [citation+same-system]

Data papers used (19)

• The phase diagram of the Ba–Ge system (2008) — 29 values [orchid_extraction]
• Thermodynamic Assessment of the Al-Ba System (2016) — 11 values [orchid_extraction]
• The Al-Ba (Aluminum-Barium) system (1993) — 10 values [orchid_extraction]
• Thermodynamics of aluminum-barium alloys (1991) — 8 values [orchid_extraction]
• Ba3Ge4: Polymerization of Zintl Anions in the Solid and Bond Stretching Isomerism (1998) — 6 values [orchid_extraction]
• The crystal structure of the Ba7AL13 phase (1975) — 6 values [orchid_extraction]
• The strontium-aluminium and barium-aluminium systems (1975) — 5 values [orchid_extraction]
• The Barium–Strontium Equilibrium System (1956) — 5 values [orchid_extraction]
• Crystal structure of hexabarium pentacosagermanide, Ba6Ge25 (2000) — 5 values [orchid_extraction]
• Ba3Al5, a simple atomic arrangement also present in more complex structures (1988) — 4 values [orchid_extraction]
• Preparation and Structure of a New Germanium Clathrate, Ba24Ge100 (2000) — 3 values [orchid_extraction]
• Ba6Ge25: low-temperature Ge–Ge bond breaking during temperature-induced structure transformation (2005) — 3 values [orchid_extraction]
• BaGe₅: A New Type of Intermetallic Clathrate (2010) — 3 values [orchid_extraction]
• Lattice Parameters, Coefficients of Thermal Expansion, and Atomic Weights of Purest Silicon and Germanium (1952) — 3 values [orchid_extraction]
• Alkaline earth silicides, germanides and stannides with CrB structure type (1967) — 3 values [orchid_extraction]
• Notizen: Darstellung und Kristallstruktur des Ba₂Ge / Preparation and Crystal structure of Ba₂Ge (1973) — 3 values [orchid_extraction]
• Notizen: Kristallstruktur von Bariumdigermanid bei hohen Drücken / Crystal Structure of Bariumdigermanide at High Pressures (1977) — 3 values [orchid_extraction]
• X-Ray Diffractometer Determination of the Thermal Expansion Coefficient of Aluminum near Room Temperature (1963) — 2 values [orchid_extraction]
• Untersuchungen über das System Aluminium*Barium (1934) — 1 values [orchid_extraction]