CsK2Cd2Br7
Alexandria ALEXAlex-ID: agm032805429 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D7_6_spg155
CsKCdBr4 KCdBr3
2025-03-05 04:58:57
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032805429).
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}
}
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# CIF generated by HEAS from Alexandria entry agm032805429
data_agm032805429
_cell_length_a 7.51997
_cell_length_b 7.50032
_cell_length_c 10.90549
_cell_angle_alpha 112.58816
_cell_angle_beta 90.45768
_cell_angle_gamma 115.21911
_cell_volume 502.81414
_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
Cs1 Cs 0.48605 0.98611 0.49984 1.00000
K1 K 0.29740 0.59808 0.86044 1.00000
K2 K 0.74456 0.44092 0.14214 1.00000
Cd1 Cd 0.10840 0.09189 0.21775 1.00000
Cd2 Cd 0.87084 0.88834 0.78168 1.00000
Br1 Br 0.96017 0.95408 0.39802 1.00000
Br2 Br 0.41682 0.01180 0.17072 1.00000
Br3 Br 0.19313 0.45809 0.20860 1.00000
Br4 Br 0.55289 0.56092 0.60303 1.00000
Br5 Br 0.24327 0.97591 0.78804 1.00000
Br6 Br 0.78852 0.78942 0.00110 1.00000
Br7 Br 0.83793 0.24444 0.82864 1.00000
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