U2TlH8
Alexandria ALEXAlex-ID: agm006654530 · 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
AB2C8_24_spg5
U4H15 TlH3 Tl
2024-08-08 00:51:01.650411
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006654530).
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 agm006654530
data_agm006654530
_cell_length_a 6.50252
_cell_length_b 6.50252
_cell_length_c 3.71938
_cell_angle_alpha 73.47312
_cell_angle_beta 73.47312
_cell_angle_gamma 123.14794
_cell_volume 105.57570
_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 0.67244 0.32756 0.50000 1.00000
U2 U 0.32756 0.67244 0.50000 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
H1 H 0.08390 0.40466 0.25460 1.00000
H2 H 0.40466 0.08390 0.25460 1.00000
H3 H 0.50660 0.50660 0.73899 1.00000
H4 H 0.20462 0.79538 0.00000 1.00000
H5 H 0.79538 0.20462 0.00000 1.00000
H6 H 0.49340 0.49340 0.26101 1.00000
H7 H 0.59534 0.91610 0.74540 1.00000
H8 H 0.91610 0.59534 0.74540 1.00000
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