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A New Representation of Crystal Systems and Space Groups based on the Variance of Atomic Positions (VAP): Case of 2D materials

NIAID Data Ecosystem2026-05-02 收录

晶体结构表征

二维材料计算

数据链接：

https://zenodo.org/record/10952375 数据链接链接失效反馈

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资源简介：

Please see ref: (under review)

应用场景：

创建时间：

2024-12-17

晶体结构表征

计算材料学

RbB2Se3O10 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Rb–O bond distan

DataCite Commons2021-02-04 更新70

Materials Data on LiSiAg2 by Materials Project

计算材料学

晶体结构表征

LiAg2Si crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiAg2Si ribbons oriented in the (1, 0, 0) direction. Li1+ is bonded in a linear geometry

DataCite Commons2021-02-04 更新40

Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes

金属有机化合物

晶体结构表征

The synthesis and characterization of seven platina-annulenes and their dehydrobenzoannulene (DBA) analogues are reported. Assembly of these macrocycles is accomplished via Sn transmetalation or amine

NIAID Data Ecosystem10

Materials Data on V3OF11 by Materials Project

晶体结构表征

计算材料学

(VF4)2VOF3 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of two VF4 sheets oriented in the (0, 0, 1) direction and one VOF3 sheet oriented in the (0, 0, 1

DataCite Commons2021-02-04 更新50

Materials Data on SrSmNiO4 by Materials Project

计算材料学

晶体结构表征

SmSrNiO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There

DataCite Commons2021-02-04 更新40

A New Representation of Crystal Systems and Space Groups based on the Variance of Atomic Positions (VAP): Case of 2D materials

资源简介：

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