Crystal - jspark85/share GitHub Wiki

Real space

• AFLOW
• NSM Archive
• JARVIS-DFT
• American Mineralogist Crystal Structure Database
• Materials Project
• Crystal Structure Database
• ICSD
• ICSD, KISTI
• Citrination

Space groups

• Understanding and denoting space groups
• cctbx
• International Tables for Crystallography Symmetry database
• AMPLIMODES: Symmetry mode analysis
• SYMMODES - Symmetry Modes

Reciprocal space

• SeeK-path
• High-throughput electronic band structure calculations: Challenges and tools

X-ray diffraction

• Lorentz–polarization correction
• POWDER X-RAY DIFFRACTION II – DIFFRACTION

Tools

• Crystallographic software list

Simple Descriptor

• The factors influencing solid state structure — A modern Mendeleyevian answer