LaI5
Alexandria ALEXAlex-ID: agm010164571 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5_1018_spg2
LaI3 I
2024-03-17 06:58:39.575233
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010164571).
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 agm010164571
data_agm010164571
_cell_length_a 6.09726
_cell_length_b 10.11329
_cell_length_c 10.04399
_cell_angle_alpha 92.14199
_cell_angle_beta 85.58712
_cell_angle_gamma 108.59401
_cell_volume 585.22320
_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
La1 La 0.04457 0.05108 0.24438 1.00000
La2 La 0.95543 0.94892 0.75562 1.00000
I1 I 0.83118 0.78591 0.46482 1.00000
I2 I 0.16882 0.21409 0.53518 1.00000
I3 I 0.04950 0.21024 0.97308 1.00000
I4 I 0.95050 0.78976 0.02692 1.00000
I5 I 0.48296 0.67159 0.82602 1.00000
I6 I 0.51704 0.32841 0.17398 1.00000
I7 I 0.52516 0.07071 0.74739 1.00000
I8 I 0.47484 0.92929 0.25261 1.00000
I9 I 0.15835 0.68902 0.64030 1.00000
I10 I 0.84165 0.31098 0.35970 1.00000
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