Cd(GaI3)2
Alexandria ALEXAlex-ID: agm097324680 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_2884_spg2
GaI2 CdI2
2025-04-08 13:46:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097324680).
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 agm097324680
data_agm097324680
_cell_length_a 4.36750
_cell_length_b 7.65183
_cell_length_c 13.03884
_cell_angle_alpha 87.50925
_cell_angle_beta 90.09952
_cell_angle_gamma 90.09251
_cell_volume 435.33745
_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
Cd1 Cd 0.55336 0.36333 0.34058 1.00000
Ga1 Ga 0.55618 0.80362 0.83719 1.00000
Ga2 Ga 0.05772 0.78322 0.46258 1.00000
I1 I 0.55656 0.93110 0.01087 1.00000
I2 I 0.55583 0.48463 0.54017 1.00000
I3 I 0.05390 0.54699 0.24103 1.00000
I4 I 0.05517 0.58077 0.82664 1.00000
I5 I 0.55627 0.00593 0.31509 1.00000
I6 I 0.55500 0.00042 0.67585 1.00000
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