K3(CdIn)4
Alexandria ALEXAlex-ID: agm005708288 · 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
A3B4C4_124_spg2
K17In41 K8In11 K3Cd16
2023-07-02 01:33:39.402209
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708288).
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 agm005708288
data_agm005708288
_cell_length_a 5.13963
_cell_length_b 4.60116
_cell_length_c 15.74297
_cell_angle_alpha 81.65275
_cell_angle_beta 77.75974
_cell_angle_gamma 90.03621
_cell_volume 359.78667
_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 0.66915 0.14783 0.70566 1.00000
K2 K 0.33081 0.85221 0.29433 1.00000
K3 K 0.99999 0.00001 0.99999 1.00000
Cd1 Cd 0.11746 0.59986 0.80719 1.00000
Cd2 Cd 0.20878 0.25306 0.49282 1.00000
Cd3 Cd 0.79119 0.74698 0.50720 1.00000
Cd4 Cd 0.88252 0.40016 0.19280 1.00000
In1 In 0.55684 0.55173 0.90254 1.00000
In2 In 0.44313 0.44828 0.09745 1.00000
In3 In 0.76363 0.30759 0.38745 1.00000
In4 In 0.23636 0.69244 0.61256 1.00000
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