TmLuH6
Alexandria ALEXAlex-ID: agm124285167 · 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
ABC6_24_spg2
LuH3 TmH3
2025-06-26 19:30:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm124285167).
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 agm124285167
data_agm124285167
_cell_length_a 3.52721
_cell_length_b 3.51427
_cell_length_c 5.97648
_cell_angle_alpha 76.08779
_cell_angle_beta 76.00821
_cell_angle_gamma 62.97178
_cell_volume 63.29827
_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
Tm1 Tm 0.48552 0.51162 0.50206 1.00000
Lu1 Lu 0.96919 0.01046 0.00139 1.00000
H1 H 0.33769 0.17221 0.25068 1.00000
H2 H 0.71019 0.80655 0.74544 1.00000
H3 H 0.10393 0.14856 0.62514 1.00000
H4 H 0.90050 0.85122 0.37034 1.00000
H5 H 0.64426 0.60423 0.12410 1.00000
H6 H 0.34872 0.39514 0.88086 1.00000
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