Thermodynamic modeling of the system As–Fe combined with first-principles total energy calculations

Munekazu Ohno, Kanji Yoh

Journal of Crystal Growth 310 (11) 2751-2759 (2008) · Elsevier BV

DOI: 10.1016/j.jcrysgro.2008.02.017

Data: JSON record · id doi:10.1016/j.jcrysgro.2008.02.017 · metadata: crossref

Roles in ORCHID

• read by ORCHID (values extracted): 34 released values
• assessment behind a TDB file: FeAs-08Ohn.tdb (As–Fe)

Systems

As, Fe, As–Fe

Evidence in ORCHID

34 values read from this paper (33 accepted), from 1 tables and 2 text passages.

Phase-registry phases citing it: phase:as-fe:a7-rhombohedral, phase:as-fe:bcc-a2, phase:as-fe:fcc-a1, phase:as-fe:fe2as-c38, phase:as-fe:fe3as2, phase:as-fe:feas-b31, phase:as-fe:feas2-c18, phase:as-fe:hcp-a3, phase:as-fe:liquid

Availability

Read by ORCHID: yes (values_extracted). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 8 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (3)

• The SGTE collection of binary datasets (2025) [crossref_reference_list]
• Integrated experimental study and thermodynamic modelling of the distribution of arsenic between phases in the Cu-Fe-O-S-Si system (2019) [crossref_reference_list]
• Thermodynamic Calculation of Phase Equilibria in As-Fe-In Ternary System Based on CALPHAD Approach (2009) [crossref_reference_list]

References (Crossref, publisher-deposited) (6)

• Crystal structures of the elements at 25°C (1981) [crossref_reference_list]
• SGTE data for pure elements (1991) [crossref_reference_list]
• Thermodynamic modeling of the Ca–Sn system based on finite temperature quantities from first-principles and experiment (2006) [crossref_reference_list]
• Thermodynamics of the Cr-Ta-W system by combining the Ab Initio and CALPHAD methods (2001) [crossref_reference_list]
• Special points for Brillouin-zone integrations (1976) [crossref_reference_list]
• Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]

Cites (values carry this citation) (1)

• Crystal structures of the elements at 25°C (1981) — 3 values [orchid_extraction]

TDB files modelling its system (1)

• tdb:FeAs-08Ohn.tdb [sgte_tdb_header]

Data papers used (1)

• Crystal structures of the elements at 25°C (1981) — 3 values [orchid_extraction]