遇见数据集

Inorganic Janus nanotubes database

收藏
NIAID Data Ecosystem2026-03-12 收录
官方服务:

资源简介:

This dataset is part of the supporting data for the manuscript "Structural and chemical mechanisms governing stability of inorganic Janus nanotubes" (10.1038/s41524-021-00505-9). There are two databases containing: (1) `janus_nanotubes.db´ The relaxed structure of all nanotubes. A specific tube can be found by searching for the keywords: material, prototype, kind (armchair/zigzag), n (number unit cell repetitions) (2) `twod_sheets.db` The relaxed structures of all presented 2D sheets. The database also contains the alternating-row prototype structures from the section "Strain energy descriptors". Be aware that the prototype convention translates as follows:prototype_convert = { 'MoS2': 'H', 'CdI2': 'T', 'MoSSe': 'H', 'BiTeI': 'T'} The README.md contains code examples in order to(1) visualize a MoSTe - (8, 8) nanotube in the H-phase (2) visualize a MoSTe 2D Sheet in the T-phase

创建时间:
2021-03-10
二维码
社区交流群
二维码
科研交流群
商业服务