HoTlS2
Alexandria ALEXAlex-ID: agm074904397 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_8422_spg154
HoTlS2
2025-03-13 01:18:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm074904397).
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 agm074904397
data_agm074904397
_cell_length_a 4.00650
_cell_length_b 4.00650
_cell_length_c 22.73823
_cell_angle_alpha 84.99423
_cell_angle_beta 95.00577
_cell_angle_gamma 119.98482
_cell_volume 314.53369
_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 0.22062 0.77938 0.70241 1.00000
Ho2 Ho 0.99647 0.00353 0.03526 1.00000
Ho3 Ho 0.11061 0.88939 0.36888 1.00000
Tl1 Tl 0.60718 0.39282 0.86887 1.00000
Tl2 Tl 0.38583 0.61417 0.20206 1.00000
Tl3 Tl 0.83239 0.16761 0.53559 1.00000
S1 S 0.75534 0.24466 0.30327 1.00000
S2 S 0.90880 0.09120 0.76801 1.00000
S3 S 0.68480 0.31520 0.10085 1.00000
S4 S 0.46563 0.53437 0.43451 1.00000
S5 S 0.53230 0.46770 0.63683 1.00000
S6 S 0.30800 0.69200 0.96970 1.00000
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