AFLOW: An automatic framework for high-throughput materials discovery

Stefano Curtarolo, Wahyu Setyawan, Gus L.W. Hart, Michal Jahnatek, Roman V. Chepulskii, Richard H. Taylor, Shidong Wang, Junkai Xue, Kesong Yang, Ohad Levy, Michael J. Mehl, Harold T. Stokes, Denis O. Demchenko, Dane Morgan

Computational Materials Science 58 218-226 (2012) · Elsevier BV

DOI: 10.1016/j.commatsci.2012.02.005

Data: JSON record · id doi:10.1016/j.commatsci.2012.02.005 · 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

Phase-registry phases citing it: phase:ge-p:gep

Availability

Read by ORCHID: no (full_text_screened_for_origin). Open-access licence (Crossref license field): none deposited. Crossref is-referenced-by count: 1484 (retrieved 2026-10-23).

Relations

Cited by (Crossref reference lists) (8)

Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon (2021) [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]
Thermodynamic modelling of the Al–Ni–V system (2025) [crossref_reference_list]
AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations (2012) [crossref_reference_list]
A RESTful API for exchanging materials data in the AFLOWLIB.org consortium (2014) [crossref_reference_list]
Thermodynamic modelling of the Ni–Zr system (2020) [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]

References (Crossref, publisher-deposited) (6)

Generalized cluster description of multicomponent systems (1984) [crossref_reference_list]
Accuracy of ab initio methods in predicting the crystal structures of metals: A review of 80 binary alloys (2005) [crossref_reference_list]
AFLOWLIB.ORG: A distributed materials properties repository from high-throughput ab initio calculations (2012) [crossref_reference_list]
Special points for Brillouin-zone integrations (1976) [crossref_reference_list]
Generalized Gradient Approximation Made Simple (1996) [crossref_reference_list]
Combined Electronic Structure and Evolutionary Search Approach to Materials Design (2002) [crossref_reference_list]

Cited for values by (1)

Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon (2021) — 2 values [orchid_extraction]

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

Calculation of Phase Diagrams and First-Principles Study of Germanium Impacts on Phosphorus Distribution in Czochralski Silicon (2021) — 2 values [orchid_extraction]