KCuTe
Alexandria ALEXAlex-ID: agm013341237 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_10853_spg1
KCuTe
2025-04-15 01:38:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013341237).
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 agm013341237
data_agm013341237
_cell_length_a 4.37328
_cell_length_b 6.51970
_cell_length_c 7.02918
_cell_angle_alpha 101.53876
_cell_angle_beta 107.41916
_cell_angle_gamma 90.80445
_cell_volume 186.77689
_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 0.09087 0.30637 0.20068 1.00000
K2 K 0.90913 0.69363 0.79932 1.00000
Cu1 Cu 0.78358 0.08628 0.56627 1.00000
Cu2 Cu 0.21642 0.91372 0.43373 1.00000
Te1 Te 0.62579 0.76146 0.25158 1.00000
Te2 Te 0.37421 0.23854 0.74842 1.00000
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