U3TlF13
Alexandria ALEXAlex-ID: agm005290381 · 空间群: Pmc2_1 (#26)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C13_19_spg26
UTlF6 UTlF5 U4F15
2024-10-19 22:23:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290381).
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 agm005290381
data_agm005290381
_cell_length_a 7.40988
_cell_length_b 8.08336
_cell_length_c 8.52820
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 510.81107
_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
U1 U 0.10482 0.25186 0.61982 1.00000
U2 U 0.89518 0.74814 0.11982 1.00000
U3 U 0.89518 0.25186 0.11982 1.00000
U4 U 0.10482 0.74814 0.61982 1.00000
U5 U 0.38913 0.00000 0.95938 1.00000
U6 U 0.61087 0.00000 0.45938 1.00000
Tl1 Tl 0.59893 0.50000 0.76075 1.00000
Tl2 Tl 0.40107 0.50000 0.26075 1.00000
F1 F 0.39073 0.19201 0.50665 1.00000
F2 F 0.60927 0.80799 0.00665 1.00000
F3 F 0.60927 0.19201 0.00665 1.00000
F4 F 0.39073 0.80799 0.50665 1.00000
F5 F 0.10542 0.00000 0.49846 1.00000
F6 F 0.89458 0.00000 0.99846 1.00000
F7 F 0.04912 0.29991 0.36604 1.00000
F8 F 0.95088 0.70009 0.86604 1.00000
F9 F 0.95088 0.29991 0.86604 1.00000
F10 F 0.04912 0.70009 0.36604 1.00000
F11 F 0.27247 0.50000 0.58364 1.00000
F12 F 0.72753 0.50000 0.08364 1.00000
F13 F 0.05925 0.50000 0.11667 1.00000
F14 F 0.94075 0.50000 0.61667 1.00000
F15 F 0.18873 0.16925 0.09571 1.00000
F16 F 0.81127 0.83075 0.59571 1.00000
F17 F 0.81127 0.16925 0.59571 1.00000
F18 F 0.18873 0.83075 0.09571 1.00000
F19 F 0.13862 0.00000 0.78143 1.00000
F20 F 0.86138 0.00000 0.28143 1.00000
F21 F 0.53559 0.00000 0.73130 1.00000
F22 F 0.46441 0.00000 0.23130 1.00000
F23 F 0.31821 0.25935 0.81671 1.00000
F24 F 0.68179 0.74065 0.31671 1.00000
F25 F 0.68179 0.25935 0.31671 1.00000
F26 F 0.31821 0.74065 0.81671 1.00000
