The ABINIT Users Mailing List ( CLOSED )

[mmikami@rc.m-kagaku.co.jp]

Hi everyone,

In passing, the following WEB page (and the links therein)
would be useful ...

        NIST Scientific and Technical Database:
        http://www.nist.gov/srd/index.htm

From the description of the "Online Scientific Databases"
http://www.nist.gov/srd/online.htm
you might get interested in not a few links, e.g.

- Ceramics WebBook (http://www.ceramics.nist.gov/webbook/webbook.htm)
"The Ceramics WebBook is an gateway to evaluated data, a guide to data 
centers and sources and a repository for tools and resources for 
ceramics."

- Chemistry WebBook (http://webbook.nist.gov/chemistry/ )
"The NIST Chemistry WebBook contains: Thermochemical data for over 6500 
organic and small inorganic compounds; thermochemistry data for over 
9800 reactions; IR spectra for over 8700 compounds; mass spectra for 
over 12,600 compounds; UV/Vis spectra for over 400 compounds; 
electronic and vibrational spectra for over 4100 compounds; constants 
of diatomic molecules(spectroscopic data) for over 600 compounds; ion 
energetics data for over 16,000 compounds; thermophysical property data 
for 33 fluids."

- Thermophysical and Thermochemical (http://www.nist.gov/srd/thermo.htm 
)
"NIST thermochemical databases are available both in convenient PC 
formats and as online systems, notably the NIST Chemistry WebBook which 
has extensive thermochemical  data for over 7,000 organic and small 
inorganic compounds. It also  has reaction thermochemistry data for 
over 8,000 reactions and ion energetics data for over 16,000 compounds."

Other links also might be interesting to some of you ...
This kind of information (databases) might be included in " 
~ABINIT/Infos/Miscellaneous/" ?

Regards,
Masayoshi

On 2004.1.14, at 18:21 Asia/Tokyo, Artem R. Oganov wrote:

> Dear Pawel,
>
> I would recommend to look at JANAF tables for thermodynamic properties
> of most substances.
>
> With my best regards,
>
> Artem
> ************************
> Dr. Artem R. Oganov
> Lab. of Crystallography, Department of Materials
> ETH Zurich, CH-8092 Zurich, Switzerland
> Tel.: +41-1-632-3752; Fax: +41-1-632-1133
> E-mail: a.oganov@mat.ethz.ch
> Personal web-page: http://olivine.ethz.ch/~artem
> Group page:  http://www.crystal.mat.ethz.ch/research/ExtremeConditions
> ************************
>
>
> -----Original Message-----
> From: Pawel Scharoch [mailto:scharoch@rainbow.if.pwr.wroc.pl]
> Sent: Tuesday, January 13, 2004 6:46 PM
> To: forum@abinit.org
> Subject: [abinit-forum] crystal thermodynamics
>
>
>
>
>   Dear Abinit users,
>
>     could anybody give me any reference to the experimental
>  thermodynamic  characteristics of crystals (mainly, but not
>  only,  metals), in particular melting curves (melting temperature
>  vs. pressure).
>
>     I would be very much obliged,
>
>      Pawel S.