Materials Database

1. Nitrogen-rich Database

Recently we perfomed high-throughput first-principles calculations to screen around 270 nitrogen-rich materials, the physical properties inlcude the mass density, nitrogen content, energy density, explosive velocity and explosive pressure for all the candidates satisfying our criteria.

The data can be browsed online: Nemesis

2. Dielectric Database

DieDatabase is a database containing dielectric tensors predicted by equivariant graph neural network models, and dielectric breakdown strengths calculated by combining phenomenological models with pretrained machine learning interatomic potential models, for 4,341 compounds.

The data can be browsed online: Dielectric Database