[Dataset request] Foundry–High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials

[gpwolfe]

Name

Gregory Wolfe

Email

[email protected]

Dataset name

High-throughput screening of inorganic compounds for the discovery of novel dielectric and optical materials

Authors

Petousis, Ioannis; Mrdjenovich, David; Ballouz, Eric; Liu, Miao; Winston, Donald; Chen, Wei; Graf, Tanja; Schladt, Thomas D.; Persson, Kristin A.; Prinz, Fritz B.

Publication link

https://doi.org/10.1038/sdata.2016.134

Data link

doi.org/10.18126/racd-go9m

Additional links

No response

Dataset description

" Dataset containing DFT-calculated dielectric properties for 1056 materials "

File details

.csv file. Several cells will need to be parsed as files (POSCAR and pymatgen structure, CIF file)
1056 configurations

Method

DFT

Method (other)

No response

Software

None

Software (other)

No response

Software version(s)

No response

Additional details

No response

Property types

Band gap

Other/additional property

No response

Property details

No response

Elements

No response

Number of Configurations

No response

Naming convention

No response

Configuration sets

No response

Configuration labels

No response

Distribution license

No response

Permissions

• I confirm that I have the necessary permissions to submit this dataset