Useful tools, databases, and resources for materials chemistry research.
Search Engines
-
SciFinder
Search scientific literature
-
Reaxys
Search for chemicals
-
Google Scholar
Search scientific literature with Google
Purchasing
-
Quartzy
Lab ordering and inventory system
-
Sigma-Aldrich
Chemical supplier
-
McMaster-Carr
Hardware
Magnetism
-
PHI
Fitting software for molecular magnetic susceptibility data
-
EPR Simulator
Software for EPR spectra generation
-
EasySpin
Fitting software for EPR spectra
-
EasySpin on YouTube
A channel with EasySpin tutorials, including the 2020 EasySpin Academy
-
MAGNDATA
Commensurate and incommensurate magnetic structures
Miscellaneous
-
Periodic Table
Dynamic web-based periodic table
-
Molecular Weight Calculator
A convenient molecular mass calculator, quantifying element percentages by mass
-
Energy Units Converter
Converts energy between Hartrees, eV, kJ/mol, kcal/mol, cm–1, etc.
-
Principles of Writing Well
Tips on writing well
-
The Elements of Style
A small classic book by William Strunk, Jr.
Instrument Scheduling
-
Faces Scheduling System
NMR scheduling system
-
iLab Scheduling System
Schedule instrument time in the MAC and X-ray labs
Crystallography
-
Olex2
Open crystal structure refinement GUI
-
XSeed
Licensed crystal structure refinement GUI, as well as a true-type crystallography font for Windows
-
FullProf
Tools for Rietveld and other refinement of powder data
-
CheckCIF
Validate CIFs before submitting
-
Space Group Tables
Hypertext book of crystallographic space group diagrams and tables
-
Bilbao Crystallographic Server
Crystallography resources
-
Crystallography Open Database
Free-to-access database of crystal structures
-
Inorganic Crystal Structure Database
Inorganic crystal structure database (requires login)
-
CCDC Web-Search
Search the Cambridge Crystallographic Database (advanced search requires login)
Reference Databases
-
Citrine
Materials properties database
-
NIST Chemistry WebBook
Database of chemical properties
-
NIST Physical Reference Data
Reference data for various physical properties
-
SpectraBase
Free spectral database
-
SDBS
Spectral database for organic compounds
-
AtomWork
Inorganic materials database
-
Materials Data Repository
A collection of materials research data and publications
-
Materials Project
Computed information on known and predicted materials
-
AFLOW
A database of calculated materials and their properties
-
HTEM
Experimental inorganic materials database
-
OMDB
Organic electronic structure database
-
CompES-X
Computational electronic structure database
-
CPDDB
Computational phase diagram database
-
ASM Phase Diagrams
Experimental binary and ternary phase diagrams