Tl3F5
Alexandria ALEXAlex-ID: agm101079151 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5_252_spg15
Tl3F5
2025-04-07 11:05:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101079151).
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 agm101079151
data_agm101079151
_cell_length_a 6.40983
_cell_length_b 7.83771
_cell_length_c 11.73379
_cell_angle_alpha 90.39809
_cell_angle_beta 89.48505
_cell_angle_gamma 144.85484
_cell_volume 339.32378
_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 0.43891 0.93900 0.65619 1.00000
Tl2 Tl 0.43564 0.43579 0.15630 1.00000
Tl3 Tl 0.43832 0.93703 0.32258 1.00000
Tl4 Tl 0.43832 0.43801 0.82270 1.00000
Tl5 Tl 0.43582 0.93682 0.98991 1.00000
Tl6 Tl 0.43828 0.43819 0.49004 1.00000
F1 F 0.66694 0.43638 0.01773 1.00000
F2 F 0.93913 0.43900 0.65611 1.00000
F3 F 0.20546 0.43594 0.01982 1.00000
F4 F 0.67024 0.93914 0.51793 1.00000
F5 F 0.66670 0.43622 0.29257 1.00000
F6 F 0.20580 0.43625 0.29506 1.00000
F7 F 0.93523 0.93582 0.15613 1.00000
F8 F 0.66868 0.93879 0.79283 1.00000
F9 F 0.20763 0.93865 0.79461 1.00000
F10 F 0.20888 0.93896 0.51949 1.00000
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