In2Cl
Alexandria ALEXAlex-ID: agm005441804 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_2711_spg8
InCl In
2023-03-19 09:24:35.123939
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005441804).
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 agm005441804
data_agm005441804
_cell_length_a 6.04435
_cell_length_b 6.04435
_cell_length_c 9.63607
_cell_angle_alpha 57.65352
_cell_angle_beta 57.65352
_cell_angle_gamma 35.22762
_cell_volume 168.05516
_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
In1 In 0.32441 0.32441 0.36343 1.00000
In2 In 0.41931 0.41931 0.69196 1.00000
In3 In 0.06203 0.06203 0.35864 1.00000
In4 In 0.73762 0.73762 0.02458 1.00000
Cl1 Cl 0.95492 0.95492 0.06321 1.00000
Cl2 Cl 0.66837 0.66837 0.66485 1.00000
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