3 demos of basic crystallography concepts
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Updated
Oct 8, 2018 - Mathematica
3 demos of basic crystallography concepts
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Physics of Materials - Electrical Properties - Semiconductors - Bohr Atomic Model - Crystal Structures - Material Classification | Structure and Electrical Properties of Materials at ECE NTUA
A collection of cool R scripts for visualizing mutation operators found in XtalOpt, as well as plotting data for crystal structures.
DeepCrysTet: A Deep Learning Approach Using Tetrahedral Mesh for Predicting Properties of Crystalline Materials
POSCAR3D is a 3D visualization tool for POSCAR files, offering realistic atom rendering based on van der Waals radii. Developed for researchers and students, it provides an interactive way to explore molecular structures with ease.
Refinement and analysis of structures against single crystal diffraction data
A simulation of crystal growth by voronoi diagrams with polygonal growing seeds
MatBase is an app that allows you to access and analyze a wide range of material properties and photoelectron spectroscopy parameters.
A powder XRD structure solution library for inorganic compounds that couples efficient symmetry-aware structure generation with density functional theory based atomic position relaxations.
Identify zone axis from a high res TEM image
SpglibJS: C crystal symmetry library transpiled to JavaScript for in-browser usage. See in action online
An implementation of a genetic algorithm in Python for predicting equilibrium crystal structures for a given potential. The potential implemented here is the Daoud-Cotton model, but this can be easily changed.
An interactive Python script that formats .cif files and sorts them based on tags, supercell size, and minimum distance
This package contains some basic functionalities of Crystallography.jl
An interactive Python script that computes the minimum atomic bonding distances from sites, generating histograms and pair counts.
CMSO - Computational Material Sample Ontology
Accelerated molecular crystal structure determination from powder diffraction data
MPDS API client library in Python
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