DyTlH6
Alexandria ALEXAlex-ID: agm076042701 · 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_1913_spg1
TlH3 DyH3
2025-06-26 19:41:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076042701).
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 agm076042701
data_agm076042701
_cell_length_a 4.24219
_cell_length_b 4.17370
_cell_length_c 6.41527
_cell_angle_alpha 78.28258
_cell_angle_beta 75.48886
_cell_angle_gamma 73.20862
_cell_volume 104.22224
_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
Dy1 Dy 0.56995 0.49828 0.57604 1.00000
Tl1 Tl 0.20578 0.21498 0.20137 1.00000
H1 H 0.50973 0.19937 0.90101 1.00000
H2 H 0.44740 0.64704 0.25906 1.00000
H3 H 0.03506 0.49992 0.66566 1.00000
H4 H 0.13616 0.78102 0.83476 1.00000
H5 H 0.58479 0.02591 0.47597 1.00000
H6 H 0.26112 0.88348 0.83612 1.00000
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