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Data for Energy Landscapes for Digital Alchemy

Name: Data for Energy Landscapes for Digital Alchemy
Creator: University of Cambridge; Univerity of Michigan
Published: 2019-06-25T00:00:00+08:00

Zenodo2019-06-25 更新2026-04-07 收录

材料计算设计

能量景观模拟

数据链接：

https://zenodo.org/record/3256234 数据链接链接失效反馈

官方服务：

资源简介：

Data relating to the paper 'Energy Landscapes for Digital Alchemy'. See the README for details.

应用场景：

提供机构：

University of Cambridge; Univerity of Michigan

创建时间：

2019-06-25

晶体结构解析

材料计算设计

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

晶体结构解析

材料计算设计

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

超导材料预测

材料计算设计

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

氮化物材料

材料计算设计

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

晶体结构表征

材料计算设计

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

Data for Energy Landscapes for Digital Alchemy

资源简介：

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