Data and Structures: Database and Structures

Review focus¶

• Database types, tables, indexing, keys, and queries

• Data formats, materials databases, and API-style data

• Sites, coordinates, occupations, local environment, and coordination

• Unit cells, lattice vectors, Miller indices, crystal systems, and Bravais lattices

• Symmetry operations, point groups, space groups, and Wyckoff positions

• Structure prototypes, reciprocal space, and Brillouin zone

• Structure formats, defects, supercells, and interfaces

Where to review in this book¶

• Database Overview

• Introduction to Databases

• Concepts in Database

• Formats

• Materials Database

• Pandas Notebook

• Materials Project Notebook

• Bulk Modulus Notebook

• Structures Overview

• Site

• Molecule

• Unit Cell

• Symmetry

• Prototypes

• Reciprocal Space

• Defect

• Interface

• Noncrystalline Materials

• Structure Formats

• Crystal Structure Notebook

• VESTA

• Advanced Structure Notebook