XYZ File Extension

What is XYZ file?

XYZ is a text file format supported by various chemistry programs. XYZ files store molecule data in plain text, such as number of atoms, element symbol, and X, Y, and Z coordinates. Although XYZ is not a standardized format, it is widely used and supported by many chemistry programs.

Other formats

XYZ extension is not used exclusively by chemistry programs. Its not uncommon to see text files saved with XYZ suffix. Sometimes temporary or unknown files are given the XYZ suffix by the system until it determines what type of file it is. Before creating a XYZ file it is advised to turn off the “hide unknown file extensions” option to avoid some file diagnosis issues.

Programs which support XYZ file extension

The following list contains programs grouped by 3 operating systems that support XYZ files. XYZ files can be encountered on all system platforms, including mobile, yet there is no guarantee each will properly support such files.

Updated: 01/04/2023

How to open file with XYZ extension?

There can be multiple causes why you have problems with opening XYZ files on given system. On the bright side, the most encountered issues pertaining to Molecule Specification Format files aren’t complex. In most cases they can be addressed swiftly and effectively without assistance from a specialist. The following is a list of guidelines that will help you identify and solve file-related problems.

Step 1. Install Avogadro software

Problems with opening and working with XYZ files are most probably having to do with no proper software compatible with XYZ files being present on your machine. This one is an easy one. Select Avogadro or one of the recommended programs (for example, UniChem) and download it from appropriate source and install on your system. Above you will find a complete listing of programs that support XYZ files, classified according to system platforms for which they are available. The safest method of downloading Avogadro installed is by going to developer’s website () and downloading the software using provided links.

Step 2. Update Avogadro to the latest version

You still cannot access XYZ files although Avogadro is installed on your system? Make sure that the software is up to date. Sometimes software developers introduce new formats in place of that already supports along with newer versions of their applications. If you have an older version of Avogadro installed, it may not support XYZ format. All of the file formats that were handled just fine by the previous versions of given program should be also possible to open using Avogadro.

Step 3. Assign Avogadro to XYZ files

If the issue has not been solved in the previous step, you should associate XYZ files with latest version of Avogadro you have installed on your device. The next step should pose no problems. The procedure is straightforward and largely system-independent

Change the default application in Windows

• Right-click the XYZ file and choose Open with option
• Next, select the Choose another app option and then using More apps open the list of available applications
• The last step is to select Look for another app on this PC option supply the directory path to the folder where Avogadro is installed. Now all that is left is to confirm your choice by selecting Always use this app to open XYZ files and clicking OK.

Change the default application in Mac OS

• By clicking right mouse button on the selected XYZ file open the file menu and choose Information
• Proceed to the Open with section. If its closed, click the title to access available options
• Select Avogadro and click Change for all...
• If you followed the previous steps a message should appear: This change will be applied to all files with XYZ extension. Next, click the Continue button to finalize the process.

Step 4. Verify that the XYZ is not faulty

You closely followed the steps listed in points 1-3, but the problem is still present? You should check whether the file is a proper XYZ file. Problems with opening the file may arise due to various reasons.

1. Check the XYZ file for viruses or malware

If the file is infected, the malware that resides in the XYZ file hinders attempts to open it. Immediately scan the file using an antivirus tool or scan the whole system to ensure the whole system is safe. XYZ file is infected with malware? Follow the steps suggested by your antivirus software.

2. Verify that the XYZ file’s structure is intact

Did you receive the XYZ file in question from a different person? Ask him/her to send it one more time. It is possible that the file has not been properly copied to a data storage and is incomplete and therefore cannot be opened. If the XYZ file has been downloaded from the internet only partially, try to redownload it.

3. Ensure that you have appropriate access rights

There is a possibility that the file in question can only be accessed by users with sufficient system privileges. Log in using an administrative account and see If this solves the problem.

4. Verify that your device fulfills the requirements to be able to open Avogadro

The operating systems may note enough free resources to run the application that support XYZ files. Close all running programs and try opening the XYZ file.

5. Verify that your operating system and drivers are up to date

Latest versions of programs and drivers may help you solve problems with Molecule Specification Format files and ensure security of your device and operating system. Outdated drivers or software may have caused the inability to use a peripheral device needed to handle XYZ files.

Do you want to help?

If you have additional information about the XYZ file, we will be grateful if you share it with our users. To do this, use the form here and send us your information on XYZ file.