LiCeI4
Alexandria ALEXAlex-ID: agm003736554 · 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_1119_spg15
CeI3 LiI
2022-04-18 16:21:02.102031
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003736554).
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 agm003736554
data_agm003736554
_cell_length_a 7.78186
_cell_length_b 7.76580
_cell_length_c 10.44947
_cell_angle_alpha 103.84388
_cell_angle_beta 103.90533
_cell_angle_gamma 110.81397
_cell_volume 535.03871
_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
Li1 Li 0.83150 0.08150 0.16300 1.00000
Li2 Li 0.16850 0.91850 0.83700 1.00000
Ce1 Ce 0.32575 0.57575 0.15151 1.00000
Ce2 Ce 0.67425 0.42425 0.84849 1.00000
I1 I 0.31175 0.05652 0.64255 1.00000
I2 I 0.05849 0.80250 0.09689 1.00000
I3 I 0.16920 0.41397 0.35745 1.00000
I4 I 0.46160 0.70561 0.90311 1.00000
I5 I 0.68825 0.94348 0.35745 1.00000
I6 I 0.83080 0.58603 0.64255 1.00000
I7 I 0.94151 0.19750 0.90311 1.00000
I8 I 0.53840 0.29439 0.09689 1.00000
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