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New promising class of anode materials for Ca-ion battery: Polyaromatic hydrocarbons

NIAID Data Ecosystem2026-05-01 收录

离子电池材料

计算材料学

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https://data.mendeley.com/datasets/7zn82588ry 数据链接链接失效反馈

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资源简介：

Data for the New promising class of anode materials for Ca-ion battery: Polyaromatic hydrocarbons (CONTCARS, INCARS, KPOINTS)

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创建时间：

2023-09-11

晶体结构解析

计算材料学

CsGd2Cu3Se5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Cs–Se bond dista

DataCite Commons2021-02-04 更新80

Materials Data on LiVPO5 by Materials Project

计算材料学

化学结构预测

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60

Materials Data on Nb4P2S21 by Materials Project

晶体结构解析

计算材料学

Nb4P2S21 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two Nb4P2S21 sheets oriented in the (1, 0, 0) direction. there are four inequivalent Nb5+ sites

DataCite Commons2021-02-04 更新60

Materials Data on Mg2Si4O11 by Materials Project

计算材料学

晶体结构分析

Mg2Si4O11 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a see-saw-like geometry to fou

DataCite Commons2021-02-04 更新60

Materials Data on La2Ta2O9 by Materials Project

晶体结构表征

计算材料学

La2Ta2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances rangi

DataCite Commons2021-02-05 更新60

New promising class of anode materials for Ca-ion battery: Polyaromatic hydrocarbons

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