Ho4TcAu
Alexandria ALEXAlex-ID: agm005808420 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1160_spg15
Ho3Tc Ho2Au HoTc2
2023-07-31 12:26:48.802733
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808420).
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 agm005808420
data_agm005808420
_cell_length_a 6.33818
_cell_length_b 7.86311
_cell_length_c 7.86448
_cell_angle_alpha 110.14369
_cell_angle_beta 107.22939
_cell_angle_gamma 107.22713
_cell_volume 314.91355
_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 0.79535 0.64263 0.77694 1.00000
Ho2 Ho 0.08713 0.94438 0.29017 1.00000
Ho3 Ho 0.70466 0.22306 0.35735 1.00000
Ho4 Ho 0.41281 0.70977 0.05554 1.00000
Ho5 Ho 0.58719 0.29023 0.94446 1.00000
Ho6 Ho 0.29534 0.77694 0.64265 1.00000
Ho7 Ho 0.91287 0.05562 0.70983 1.00000
Ho8 Ho 0.20465 0.35737 0.22306 1.00000
Tc1 Tc 0.25000 0.00228 0.99772 1.00000
Tc2 Tc 0.75000 0.99772 0.00228 1.00000
Au1 Au 0.74996 0.63335 0.36671 1.00000
Au2 Au 0.25004 0.36665 0.63329 1.00000
获取直接链接