Ho3TlTc
Alexandria ALEXAlex-ID: agm005802449 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_6933_spg2
Ho4TlTc Ho5Tl4 HoTc2
2023-07-06 00:59:50.304962
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802449).
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 agm005802449
data_agm005802449
_cell_length_a 5.86601
_cell_length_b 5.86600
_cell_length_c 8.74299
_cell_angle_alpha 102.27732
_cell_angle_beta 102.27207
_cell_angle_gamma 111.48537
_cell_volume 259.20745
_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 0.29967 0.79967 0.09934 1.00000
Ho2 Ho 0.70033 0.20033 0.90066 1.00000
Ho3 Ho 0.07643 0.19779 0.27421 1.00000
Ho4 Ho 0.92357 0.80221 0.72579 1.00000
Ho5 Ho 0.69777 0.57646 0.27423 1.00000
Ho6 Ho 0.30223 0.42354 0.72577 1.00000
Tl1 Tl 0.71483 0.21483 0.50000 1.00000
Tl2 Tl 0.28517 0.78517 0.50000 1.00000
Tc1 Tc 0.25001 0.25001 0.00000 1.00000
Tc2 Tc 0.74999 0.74999 1.00000 1.00000
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