Ce(AlI4)2
Alexandria ALEXAlex-ID: agm003523912 · 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
AB2C8_39_spg12
CeI3 AlI3 Al
2022-03-13 16:14:38.971764
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523912).
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 agm003523912
data_agm003523912
_cell_length_a 7.35175
_cell_length_b 9.10023
_cell_length_c 9.10023
_cell_angle_alpha 74.70501
_cell_angle_beta 82.90468
_cell_angle_gamma 82.90468
_cell_volume 580.13090
_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 0.65661 0.80068 0.80068 1.00000
Al2 Al 0.34339 0.19932 0.19932 1.00000
I1 I 0.23885 0.29051 0.92086 1.00000
I2 I 0.76115 0.07914 0.70949 1.00000
I3 I 0.29324 0.80869 0.80869 1.00000
I4 I 0.70676 0.19131 0.19131 1.00000
I5 I 0.23885 0.92086 0.29051 1.00000
I6 I 0.76115 0.70949 0.07914 1.00000
I7 I 0.80155 0.63043 0.63043 1.00000
I8 I 0.19845 0.36957 0.36957 1.00000
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