QuantumATK Forum
Welcome,
Guest
. Please
login
or
register
.
Did you miss your
activation email
?
1 Hour
1 Day
1 Week
1 Month
Forever
Login with username, password and session length
News:
QuantumATK W-2024.09 version released on Sep 9, 2024
Home
Help
Search
Login
Register
QuantumATK Forum
»
QuantumATK
»
General Questions and Answers
»
Adding new materials in database
« previous
next »
Print
Pages: [
1
]
Go Down
Author
Topic: Adding new materials in database (Read 3510 times)
0 Members and 1 Guest are viewing this topic.
ams_nanolab
Supreme QuantumATK Wizard
Posts: 389
Country:
Reputation: 11
Adding new materials in database
«
on:
May 23, 2013, 13:21 »
Dear Sir,
Could you tell me where to find accurate .xyz or .cif files of new materials to add to ATK database? Which repository/ database does ATK use to get its structures from?
Logged
kstokbro
Supreme QuantumATK Wizard
Posts: 392
Reputation: 13
Re: Adding new materials in database
«
Reply #1 on:
May 23, 2013, 13:59 »
There are many online databases, forinstance:
http://rruff.geo.arizona.edu/AMS/amcsd.php
http://mits.nims.go.jp/index_en.html
Logged
Anders Blom
QuantumATK Staff
Supreme QuantumATK Wizard
Posts: 5576
Country:
Reputation: 96
Re: Adding new materials in database
«
Reply #2 on:
May 23, 2013, 14:47 »
http://icsd.fiz-karlsruhe.de/
http://www.crystallography.net/
For molecules, try
http://www.chemspider.com/
Logged
ams_nanolab
Supreme QuantumATK Wizard
Posts: 389
Country:
Reputation: 11
Re: Adding new materials in database
«
Reply #3 on:
May 24, 2013, 13:42 »
Thanks all for the resources
Logged
Print
Pages: [
1
]
Go Up
« previous
next »
QuantumATK Forum
»
QuantumATK
»
General Questions and Answers
»
Adding new materials in database