CeAlCd11
Alexandria ALEXAlex-ID: agm005697434 · 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
ABC11_0_spg12
CeAl3 CeCd11 Cd
2023-06-29 14:32:40.695138
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697434).
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 agm005697434
data_agm005697434
_cell_length_a 5.88806
_cell_length_b 7.58093
_cell_length_c 7.68607
_cell_angle_alpha 81.58923
_cell_angle_beta 67.47824
_cell_angle_gamma 67.55050
_cell_volume 292.90029
_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
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.50000 0.50000 0.00000 1.00000
Cd1 Cd 0.29162 0.21479 0.21109 1.00000
Cd2 Cd 0.70838 0.78521 0.78891 1.00000
Cd3 Cd 0.49729 0.78521 0.21109 1.00000
Cd4 Cd 0.50271 0.21479 0.78891 1.00000
Cd5 Cd 0.35574 0.64540 0.65186 1.00000
Cd6 Cd 0.64426 0.35460 0.34814 1.00000
Cd7 Cd 0.99240 0.35460 0.65186 1.00000
Cd8 Cd 0.00760 0.64540 0.34814 1.00000
Cd9 Cd 0.00000 0.50000 0.00000 1.00000
Cd10 Cd 0.50000 0.00000 0.50000 1.00000
Cd11 Cd 0.00000 0.00000 0.50000 1.00000
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