Cd(PdI3)2
Alexandria ALEXAlex-ID: agm097352895 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_330_spg2
PdI2 CdI2
2025-04-07 06:07:30
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097352895).
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 agm097352895
data_agm097352895
_cell_length_a 7.07011
_cell_length_b 4.72441
_cell_length_c 11.35123
_cell_angle_alpha 98.69277
_cell_angle_beta 102.11790
_cell_angle_gamma 108.39018
_cell_volume 341.98418
_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 0.46805 0.36233 0.31688 1.00000
Pd1 Pd 0.32240 0.10399 0.77726 1.00000
Pd2 Pd 0.60024 0.74242 0.76490 1.00000
I1 I 0.30995 0.64427 0.89241 1.00000
I2 I 0.32646 0.36841 0.53851 1.00000
I3 I 0.13010 0.12493 0.10560 1.00000
I4 I 0.91189 0.85220 0.65372 1.00000
I5 I 0.70473 0.97181 0.30848 1.00000
I6 I 0.72619 0.32965 0.89226 1.00000
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