MaterialNet provides for this by enabling a simple layout of a given network of materials. The examples in the current implementation are for the aforementioned cases (i.e. visualization of the "complete" phase diagram of the OQMD and similarity metrics from crystal structure), but the tool may be applied to any …
read moreCheck if a crystal material with a given formula is a 2D or layered material
read morePredict crystal structure for a chemical formula
read morePredict Space group crystal system for a chemical formula
read morePredict lattice parameters for a chemical formula
read moreCheck if a if structure file pass the 5 pauling rule check.
read morePredicting the formation energy/enthalpy or e-above-hull energyfor a given crystal materials formula or structure
read moreCheck if a chemical formula meets the balanced electronegativity requirement.
read moreThe availability and easy access of large scale experimental and computational materials data have enabled the emergence of accelerated development of algorithms and models for materials property prediction, structure prediction, and generative design of materials. However, lack of user-friendly materials informatics web servers has severely constrained the wide adoption of …
read morehttp://www.aflowlib.org/src/aflowpi/download/AFLOWpi-1.0.0.tar.gz With AFLOWπ we introduce a minimalist framework for high-throughput first principles calculations that it easy to install and operate. The key components involve robust data generation, real time feedback and error control, curation and archival of the data, and post-processing tools for analysis and visualization. AFLOWπ simplifies the process …
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