@chemistry/space-groups

All 230 crystallographic space groups with symmetry operations.

Installation

npm install @chemistry/space-groups

Usage

import { SpaceGroup } from '@chemistry/space-groups';

const sg = SpaceGroup.getById(225);
// { id: 225, hm: "F m -3 m", hs: "-F 4 2 3", o: 24, s: [...192 symmetry operations] }

const all = SpaceGroup.getAll();
// Array of 230 space groups

Features

• All 230 space groups (ITA standard)
• Hermann-Mauguin and Hall symbols
• Symmetry operations for each group
• Lookup by ID or symbol
• Isomorphic — works in Node.js and browsers

License

MIT