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Data for "Direct, Indirect, and Self-Trapped Excitons in Cs2AgBiBr6"

Zenodo2024-08-07 更新2026-04-07 收录

钙钛矿激子物理

晶体结构计算

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https://zenodo.org/doi/10.5281/zenodo.13258153 数据链接链接失效反馈

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Structures of the unit cell and polymorphous supercell of Cs2AgBiBr6 and the self-trapped exciton in the material.

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创建时间：

2024-08-07

晶体结构计算

硫化物材料设计

Ti3VS6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ti+3.33+ sites. In the first Ti+3.33+ site, Ti+3.33+ is bonded to six equivalent S2-

DataCite Commons2021-02-04 更新90

Materials Data on Cs2KInI6 by Materials Project

晶体结构计算

氟钙钛矿材料

Cs2KInI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboc

DataCite Commons2021-02-05 更新90

Calculated results for Untra-endurant Metal-insulator Transition via Self-regeneration

金属-绝缘体相变模拟

晶体结构计算

This dataset contains POSCAR and vasprun.xml files for Ag2S with controlled Ag occupancy on Wyckoff sites 6b and 12d.

Zenodo2026-06-07 更新40

Materials Data on Nb2N by Materials Project

晶体结构计算

计算材料学

Nb2N is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Nb2N sheet oriented in the (0, 0, 1) direction. Nb is bonded

DataCite Commons2021-02-04 更新90

Materials Data on HgHC3NCl3 by Materials Project

晶体结构计算

材料计算模拟

HgCCl3HC2N crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of eight aziridine molecules and two HgCCl3 ribbons oriented in the (1, 0, 1) direction. In ea

DataCite Commons2021-02-05 更新50

Data for "Direct, Indirect, and Self-Trapped Excitons in Cs2AgBiBr6"

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