#crystallography

X-ray crystallography maths as an API, computed locally and deterministically. The angle endpoint applies Bragg’s law, n·λ = 2·d·sinθ, to give the diffraction angle θ and the experimentally plotted 2θ from a crystal’s inter-planar spacing and the X-ray wavelength, defaulting to the common Cu Kα source at 0.15406 nm and reporting the highest observable order ⌊2d/λ⌋ — a 0.2 nm plane spacing diffracts Cu Kα to θ ≈ 22.65°, a 2θ peak near 45.3°. The spacing endpoint inverts the law, d = n·λ/(2·sinθ), reading the lattice spacing straight off a measured XRD peak — the everyday job of indexing a diffraction pattern, so a 2θ of 31.77° for table salt gives the 0.2814 nm (200) spacing. The wavelength endpoint solves λ = 2·d·sinθ/n to identify or calibrate the source. Lengths are entered in nanometres or ångström and angles in degrees, and any diffraction order n is supported. Everything is computed locally and deterministically, so it is instant and private. Ideal for materials-science, crystallography, mineralogy, XRD, semiconductor and solid-state-physics app developers, lattice-spacing and pattern-indexing tools, and laboratory software. Pure local computation — no key, no third-party service, instant. Live, nothing stored. 3 endpoints. This is reflection-geometry Bragg diffraction with the 2d factor; for optical double-slit and grating diffraction use a wave-optics diffraction API.

api.oanor.com/bragg-api

Crystal structures as an API — powered by the Crystallography Open Database (COD), the open, public-domain collection of over 500,000 crystal structures of organic, inorganic, metal-organic compounds and minerals. Search the database by chemical formula (any standard casing — TiO2, Al2O3, H2O — is normalised automatically) or by free text over mineral names, titles and comments, then look up any structure to get its full crystallographic data: chemical and cell formula, space group (Hermann-Mauguin and Hall), the complete unit cell (a, b, c, alpha, beta, gamma and volume), the source publication (title, authors, journal, year, DOI) and a link to the CIF file. From quartz, calcite and diamond to anatase, corundum and diopside, it is ideal for materials science, solid-state chemistry, mineralogy, crystallography teaching and research tooling. This is a crystal-structure & materials database — distinct from molecule-property (chemistry / PubChem) and protein-structure (PDB) databases. Open data from the Crystallography Open Database (CC0 / public domain).

api.oanor.com/cod-api

The RCSB Protein Data Bank as an API — 3D macromolecular structures of proteins, nucleic acids and complexes, powered by the official RCSB PDB data and search services. Fetch a structure entry by its 4-character PDB id for its title, experimental method (X-ray, cryo-EM, NMR), resolution, keywords, deposit and release dates, authors, primary citation and entity & assembly counts; run full-text search across the whole archive returning matching PDB ids and the total hit count; read a polymer entity for its protein or nucleic-acid name, one-letter sequence, length, source organism, chains and linked UniProt ids; read a biological assembly for its oligomeric state, symmetry and chain & atom counts; list the ligands bound in a structure with their component ids and names; and look up any chemical component (ligand) by code for its formula, weight, SMILES and InChIKey. Ideal for structural-biology and drug-discovery tools, molecular viewers, bioinformatics pipelines, education apps and research dashboards.

api.oanor.com/pdb-api