HoTlH6
Alexandria ALEXAlex-ID: agm076076451 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_1177_spg12
TlH3 HoH3
2025-06-15 11:36:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076076451).
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 agm076076451
data_agm076076451
_cell_length_a 6.50008
_cell_length_b 3.58137
_cell_length_c 4.26287
_cell_angle_alpha 90.10344
_cell_angle_beta 83.84084
_cell_angle_gamma 90.21166
_cell_volume 98.66249
_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
Ho1 Ho 0.10315 0.15579 0.90692 1.00000
Tl1 Tl 0.62900 0.65501 0.54682 1.00000
H1 H 0.89370 0.65468 0.93288 1.00000
H2 H 0.22415 0.65601 0.68276 1.00000
H3 H 0.27351 0.65788 0.10057 1.00000
H4 H 0.19613 0.65770 0.25833 1.00000
H5 H 0.99703 0.15523 0.42207 1.00000
H6 H 0.43332 0.15770 0.89965 1.00000
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