官方服务：
资源简介：
Collection of formation energies, curated from SSUB and OQMD dataset.
应用场景：
创建时间：
2020-06-28
相关数据集
Materials Data on ZnFePO5 by Materials Project
FeZnPO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form d
DataCite Commons2021-02-04 更新100
23-Single-Element-DNPs_RSCDD_2023-Ge
Configurations of Ge from Andolina & Saidi, 2023. One of 23 minimalist, curated sets of DFT-calculated properties for individual elements for the purpose of providing input to machine learning of
DataCite Commons2024-03-28 更新100
Materials Data on U2Co3O8 by Materials Project
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For
DataCite Commons2021-02-04 更新50
Materials Data on Li2Fe2Si3O10 by Materials Project
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For
DataCite Commons2021-02-05 更新100
Materials Data on Mg3Si4 by Materials Project
Mg3Si4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to six Si at
DataCite Commons2021-02-04 更新90
