Tl2H5Ru
Alexandria ALEXAlex-ID: agm006019741 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_424_spg107
Tl TlH3 Ru
2023-07-11 11:27:16.330116
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006019741).
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 agm006019741
data_agm006019741
_cell_length_a 5.37030
_cell_length_b 5.37031
_cell_length_c 5.47674
_cell_angle_alpha 60.64036
_cell_angle_beta 60.64130
_cell_angle_gamma 89.99983
_cell_volume 113.81681
_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 0.21258 0.71256 0.57488 1.00000
Tl2 Tl 0.71255 0.21255 0.57488 1.00000
H1 H 0.79837 0.79837 0.05018 1.00000
H2 H 0.79838 0.15147 0.05016 1.00000
H3 H 0.15144 0.79836 0.05020 1.00000
H4 H 0.15144 0.15144 0.05020 1.00000
H5 H 0.30429 0.30430 0.39141 1.00000
Ru1 Ru 0.09395 0.09395 0.81209 1.00000
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