Ho5ThSe6
Alexandria ALEXAlex-ID: agm006123724 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_78_spg12
Ho4ThSe5 HoSe
2023-09-07 07:52:09.582431
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006123724).
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
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# CIF generated by HEAS from Alexandria entry agm006123724
data_agm006123724
_cell_length_a 7.09451
_cell_length_b 7.09452
_cell_length_c 7.07078
_cell_angle_alpha 99.72935
_cell_angle_beta 99.72935
_cell_angle_gamma 120.37644
_cell_volume 288.74908
_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
Se1 Se 0.42805 0.08504 0.25608 1.00000
Se2 Se 0.91496 0.57195 0.74392 1.00000
Se3 Se 0.25825 0.25825 0.74678 1.00000
Se4 Se 0.74175 0.74175 0.25322 1.00000
Se5 Se 0.08504 0.42805 0.25608 1.00000
Se6 Se 0.57195 0.91496 0.74392 1.00000
Ho1 Ho 0.83730 0.16270 0.50000 1.00000
Ho2 Ho 0.66641 0.33359 0.00000 1.00000
Ho3 Ho 0.50000 0.50000 0.50000 1.00000
Ho4 Ho 0.33359 0.66641 1.00000 1.00000
Ho5 Ho 0.16270 0.83730 0.50000 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
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