AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations

Stefano Curtarolo, Wahyu Setyawan, Shidong Wang, Junkai Xue, Kesong Yang, Richard H. Taylor, Lance J. Nelson, Gus L.W. Hart, Stefano Sanvito, Marco Buongiorno-Nardelli, Natalio Mingo, Ohad Levy

Computational Materials Science 58 227-235 (2012) · Elsevier BV

DOI: 10.1016/j.commatsci.2012.02.002

Data: JSON record · id doi:10.1016/j.commatsci.2012.02.002 · metadata: crossref

Roles in ORCHID

• cited as the original source of values

Systems

Al–Ti, Fe–Ti, Co–Cr–Ni–Re

Evidence in ORCHID

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

Phase-registry phases citing it: phase:al-ti:bcc-a2, phase:fe-ti:bcc-4sl

Availability

Read by ORCHID: no (full_text_screened_for_origin). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 1105 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (13)

• Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System (2023) [crossref_reference_list]
• Thermodynamic Assessments of Ti-Al, Ti-Fe, and Ti-Al-Fe Systems with Four-Sublattice Description of Ordered Body-Centered Cubic Phase and Density Functional Theory Data (2024) [crossref_reference_list]
• Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD) (2013) [crossref_reference_list]
• Enthalpies of formation of TM–X compounds (X=Al, Ga, Si, Ge, Sn). Comparison of ab-initio values and experimental data (2016) [crossref_reference_list]
• Experimental study and thermodynamic modelling of the Ag-Cd-In system (2019) [crossref_reference_list]
• Thermodynamic modelling of the Ni-V system (2019) [crossref_reference_list]
• Al–Ni–Ti thermodynamic database from first-principles calculations (2024) [crossref_reference_list]
• AFLOW: An automatic framework for high-throughput materials discovery (2012) [crossref_reference_list]
• A RESTful API for exchanging materials data in the AFLOWLIB.org consortium (2014) [crossref_reference_list]
• AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis (2018) [crossref_reference_list]
• The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies (2015) [crossref_reference_list]
• The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design (2020) [crossref_reference_list]
• Commentary: The Materials Project: A materials genome approach to accelerating materials innovation (2013) [crossref_reference_list]

References (Crossref, publisher-deposited) (2)

• Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys (2005) [crossref_reference_list]
• AFLOW: An automatic framework for high-throughput materials discovery (2012) [crossref_reference_list]

Cited for values by (2)

• Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System (2023) — 24 values [orchid_extraction]
• Thermodynamic Assessments of Ti-Al, Ti-Fe, and Ti-Al-Fe Systems with Four-Sublattice Description of Ordered Body-Centered Cubic Phase and Density Functional Theory Data (2024) — 10 values [orchid_extraction]

Used in (assessments / papers that took values from it) (2)

• Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System (2023) — 24 values [orchid_extraction]
• Thermodynamic Assessments of Ti-Al, Ti-Fe, and Ti-Al-Fe Systems with Four-Sublattice Description of Ordered Body-Centered Cubic Phase and Density Functional Theory Data (2024) — 10 values [orchid_extraction]