K3Cd2
Alexandria ALEXAlex-ID: agm005508237 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_497_spg43
K2Cd3 K
2023-03-20 09:28:22.482262
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508237).
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 agm005508237
data_agm005508237
_cell_length_a 15.97089
_cell_length_b 14.05947
_cell_length_c 8.11275
_cell_angle_alpha 87.88568
_cell_angle_beta 61.60852
_cell_angle_gamma 30.50580
_cell_volume 447.90989
_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
K1 K 0.51176 0.77023 0.31791 1.00000
K2 K 0.40010 0.31791 0.77023 1.00000
K3 K 0.47977 0.73824 0.84990 1.00000
K4 K 0.93209 0.84990 0.73824 1.00000
K5 K 0.71491 0.28509 0.28509 1.00000
K6 K 0.96491 0.53509 0.53509 1.00000
Cd1 Cd 0.01509 0.03903 0.58773 1.00000
Cd2 Cd 0.35815 0.58773 0.03903 1.00000
Cd3 Cd 0.21097 0.23491 0.89185 1.00000
Cd4 Cd 0.66227 0.89185 0.23491 1.00000
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