Search NIST Crystal Database

The NIST Crystal Data Database contains unit cell and space group information for 237,671 entries, compiled from the primary literature and other crystallographic databases. Many materials will have multiple entries, reflecting the contents of the literature (and occasionally literature information is in conflict). These pages are for use by NIST staff, from NIST computers only.

Note that this software is under development. Send e-mail to Brian.toby@NIST.gov with comments or problems.

Enter criteria below for locating entries in one or more of the sections below. Help is available by clicking on highlighted text (for example, here) .

Match by Chemical composition information

Elements that must be present:
Optional elements: (blank for none optional)

Match by Number of Unique Elements in Formula

Minimum: , Maximum:

Match by Classifications

Materials:	All	Inorganic Organic Minerals Alloys
Determined Using:	Any	X-rays Neutrons Electrons Gamma-rays
Measurement:	Any	Single crystal Powder peak picking Rietveld
Structure code:	Any	No structure determination Partial structure determination Complete structure determination
Cell system:	Any	Triclinic Monoclinic Orthorhombic Rhombohedral Tetragonal Hexagonal Cubic

Match by Cell Edge Ratios

	Minimum	Maximum		Minimum	Maximum
Ratio 1			Ratio 2

Match by Reduced Cell

a:		b:		c:		cell length error:
alpha:		beta:		gamma:		cell angle error:

Centering:	Primitive	Rhombohedral in hexagonal setting
	Body-centered (I)	Face-centered (F)
	A-centered	B-centered	C-centered


Derivative Cells: Supercells Subcells Max/Min volume: 2 3 4 5