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Calculated crystal structures of formamidinium–lead–chloride–dimethyl sulfoxide and related compounds

Description/Abstract:

The dataset provides the calculated crystal structures of Formamidinium–lead–chloride–dimethyl sulfoxide solvate, FAPbCl3–DMSO, and relat...

Keyword:

dimethyl sulfoxide (DMSO), formamidinium, hybrid halide, and lead halide

Material/Specimen:

Formamidinium–lead–chloride–dimethyl sulfoxide

Resource Type:

Dataset

Data origin:

simulations

Author:

Saito, Noriko and Ohashi, Naoki

Journal:

CrystEngComm

Date Uploaded:

01/02/2023

Date Modified:

02/02/2023
CPDDB

Description/Abstract:

On Computational Phase Diagram Database, the Gibbs energy functions of the phases are accumulated in a form of TDB (Thermodynamic DataBas...

Keyword:

Phase diagram, CALPHAD, and Computational thermodynamics

Resource Type:

Dataset and Software or Program Code

Data origin:

simulations

Author:

ABE, Taichi, HASHIMOTO, Kiyoshi, GOTO, Yumi, SAWADA, Yukiko, and HIROSE, Kiyomi

Date Uploaded:

25/10/2021

Date Modified:

25/10/2021
Digital-CPDDB

Description/Abstract:

This database includes digitized phase diagram files (PDDB files), which is a new way of representing phase diagrams. This makes it possi...

Keyword:

Phase diagram, CALPHAD, and Computational thermodynamics

Resource Type:

Dataset and Software or Program Code

Data origin:

simulations

Author:

ABE, Taichi, HASHIMOTO, Kiyoshi, GOTO, Yumi, SAWADA, Yukiko, and HIROSE, Kiyomi

Date Uploaded:

25/10/2021

Date Modified:

25/10/2021