Dielectrics are an important class of materials that are ubiquitous in modern electronic applications. Even though their properties are important for the performance of devices, the number of compounds with known dielectric constant is on the order of a few hundred. Here, we use Density Functional Perturbation Theory as a way to screen for the dielectric constant and refractive index of materials in a fast and computationally efficient way. Our results form the largest database to date, containing the full dielectric tensor for 1,056 compounds. Details regarding the computational methodology and technical validation are presented along with the format of our publicly available data. In addition, we integrate our dataset with the Materials P...
Electronic transport in materials is governed by a series of tensorial properties such as conductivi...
The mechanical properties of crystalline materials are crucial knowledge for their screening, design...
The development of new high dielectric materials is essential for advancement in modern electronics....
Dielectrics are an important class of materials that are ubiquitous in modern electronic application...
Dielectrics are an important class of materials that are ubiquitous in modern electronic application...
We demonstrate a high-throughput density functional perturbation theory (DFPT) methodology capable o...
The data provided are in the form of a human-readable JSON file. The file contains the dielectric te...
Dataset of material properties used to predict dielectric constants. Available as MontyEncoder encod...
Piezoelectric materials are used in numerous applications requiring a coupling between electrical fi...
Piezoelectric materials are used in numerous applications requiring a coupling between electrical fi...
The discovery of high-dielectric materials is crucial to increasing the efficiency of electronic dev...
Ferroelectric materials have technological applications in information storage and electronic device...
Materials modeling provides a cost and time efficient method for studying their properties, especial...
The relative permittivity of a crystal is a fundamental property that links microscopic chemical bon...
The rapid implementation and improvement of renewable energy technologies require advanced dielectri...
Electronic transport in materials is governed by a series of tensorial properties such as conductivi...
The mechanical properties of crystalline materials are crucial knowledge for their screening, design...
The development of new high dielectric materials is essential for advancement in modern electronics....
Dielectrics are an important class of materials that are ubiquitous in modern electronic application...
Dielectrics are an important class of materials that are ubiquitous in modern electronic application...
We demonstrate a high-throughput density functional perturbation theory (DFPT) methodology capable o...
The data provided are in the form of a human-readable JSON file. The file contains the dielectric te...
Dataset of material properties used to predict dielectric constants. Available as MontyEncoder encod...
Piezoelectric materials are used in numerous applications requiring a coupling between electrical fi...
Piezoelectric materials are used in numerous applications requiring a coupling between electrical fi...
The discovery of high-dielectric materials is crucial to increasing the efficiency of electronic dev...
Ferroelectric materials have technological applications in information storage and electronic device...
Materials modeling provides a cost and time efficient method for studying their properties, especial...
The relative permittivity of a crystal is a fundamental property that links microscopic chemical bon...
The rapid implementation and improvement of renewable energy technologies require advanced dielectri...
Electronic transport in materials is governed by a series of tensorial properties such as conductivi...
The mechanical properties of crystalline materials are crucial knowledge for their screening, design...
The development of new high dielectric materials is essential for advancement in modern electronics....