Ho4CdRe
Alexandria ALEXAlex-ID: agm005804715 · 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
Ho2Cd Ho HoRe2
2023-07-27 20:03:47.558601
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804715).
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 agm005804715
data_agm005804715
_cell_length_a 6.20622
_cell_length_b 7.73369
_cell_length_c 7.73369
_cell_angle_alpha 112.17066
_cell_angle_beta 99.36150
_cell_angle_gamma 99.36147
_cell_volume 328.81696
_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 0.89297 0.64271 0.80136 1.00000
Ho2 Ho 0.04617 0.93471 0.27665 1.00000
Ho3 Ho 0.60703 0.19864 0.35729 1.00000
Ho4 Ho 0.45383 0.72335 0.06529 1.00000
Ho5 Ho 0.54617 0.27665 0.93471 1.00000
Ho6 Ho 0.39297 0.80136 0.64271 1.00000
Ho7 Ho 0.95383 0.06529 0.72335 1.00000
Ho8 Ho 0.10703 0.35729 0.19864 1.00000
Cd1 Cd 0.75000 0.62549 0.37451 1.00000
Cd2 Cd 0.25000 0.37451 0.62549 1.00000
Re1 Re 0.25000 0.99928 0.00072 1.00000
Re2 Re 0.75000 0.00072 0.99928 1.00000
获取直接链接