官方服务：
资源简介：
JARVIS-DFT
应用场景：
创建时间：
2020-07-03
相关数据集
Materials Data on UInPt2 by Materials Project
UPt2In crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U3+ is bonded in a distorted hexagonal planar geometry to six equivalent Pt2- atoms. There are four shorte
DataCite Commons2021-02-04 更新170
Materials Data on TbTh by Materials Project
ThTb crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to six equivalent Th and six Tb atoms to
DataCite Commons2021-02-04 更新40
Machine-learning Guided Search for Phonon-mediated Superconductivity in Boron and Carbon Compounds
This dataset contains the raw data, convergence test, and ML models corresponding to the manuscript "Machine-learning Guided Search for Phonon-mediated Superconductivity in Boron and Carbon Compoun
Figshare2025-03-17 更新30
Materials Data on TiN2 by Materials Project
TiN2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a distorted body-centered c
DataCite Commons2021-02-04 更新80
Materials Data on SmPOs2C by Materials Project
SmOs2CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent C4- atoms. All Sm–C bo
DataCite Commons2021-02-04 更新40
