Crystal structure of Cu2F4.75 and Cu2F5 copper fluorides

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计算材料学

氟化物晶体结构

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Crystal structure of Cu2F4.75 and Cu2F5 copper fluorides obtained within DFT+U calculation.

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2023-01-03

Materials Data on CsMnTe2 by Materials Project

晶体结构表征

计算材料学

CsMnTe2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Cs–Te bond lengths ar

DataCite Commons2021-02-04 更新140

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

Materials Data on Cs2HoCl5 by Materials Project

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晶体结构分析

Cs2HoCl5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 10-coordinate geometr

DataCite Commons2021-02-04 更新60

Materials Data on Pr2CoO4 by Materials Project

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晶体结构分析

Pr2CoO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a sp

DataCite Commons2021-02-04 更新80

Materials Data on Mn2(CN2)3 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

Crystal structure of Cu2F4.75 and Cu2F5 copper fluorides

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