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Oct 27, 2026 - JavaScript
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space-groups
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A collection of python modules to extract data from the Bilbao database of crystallography. Ready-to-go .json and .csv files about data contained in the International Table of Crystallography are also furnished
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May 2, 2025
把晶体学的一整套数学约定，做成转得起来的三维工作台 · 零依赖静态站点
github-pages webgl threejs crystallography solid-state-physics brillouin-zone miller-indices space-groups
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Sep 25, 2026 - JavaScript
hkl_generator is a Python-based tool for generating and analyzing crystallographic reflection conditions (hkl indices) using space group symmetry rules. The tool leverages data from the Bilbao Crystallographic Server to determine allowed reflections based on the space group's systematic absences.
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May 2, 2025 - Jupyter Notebook
CrIStMa — Crystallographic Infrastructure for Structures and Materials. Beta · Python 3.11+ · NumPy-only scientific library.
python pdb numpy vasp crystallography scientific-computing cif symmetry materials-science xyz x-ray-diffraction diffraction solid-state-chemistry space-groups shelx crystal-chemistry periodic-topology
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Nov 1, 2026 - Python
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