Tl(Se2F)2
Alexandria ALEXAlex-ID: agm095965262 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_6212_spg6
TlSeF5 Se TlF
2025-04-10 18:49:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095965262).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm095965262
data_agm095965262
_cell_length_a 5.13064
_cell_length_b 5.47204
_cell_length_c 9.01499
_cell_angle_alpha 77.62362
_cell_angle_beta 125.07237
_cell_angle_gamma 89.60339
_cell_volume 199.63043
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tl1 Tl 0.44581 0.95680 0.94688 1.00000
Se1 Se 0.66938 0.53583 0.63674 1.00000
Se2 Se 0.30662 0.10694 0.27770 1.00000
Se3 Se 0.61318 0.00460 0.60782 1.00000
Se4 Se 0.33473 0.63112 0.31156 1.00000
F1 F 0.96458 0.81628 0.96223 1.00000
F2 F 0.16569 0.44843 0.75707 1.00000
获取直接链接