Cd(S3I)2
Alexandria ALEXAlex-ID: agm002380892 · 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
AB2C6_74_spg12
Cd(S3I)2
2019-07-14 02:44:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002380892).
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 agm002380892
data_agm002380892
_cell_length_a 4.33356
_cell_length_b 8.42804
_cell_length_c 8.43140
_cell_angle_alpha 67.02697
_cell_angle_beta 91.09306
_cell_angle_gamma 88.90736
_cell_volume 283.35103
_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
I1 I 0.49998 0.85530 0.85562 1.00000
I2 I 0.50002 0.14470 0.14438 1.00000
S1 S 0.08900 0.51276 0.72172 1.00000
S2 S 0.91100 0.48724 0.27828 1.00000
S3 S 0.13579 0.69054 0.30952 1.00000
S4 S 0.08900 0.27817 0.48729 1.00000
S5 S 0.91100 0.72183 0.51271 1.00000
S6 S 0.86421 0.30946 0.69048 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
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