LaCu
Alexandria ALEXAlex-ID: agm010194897 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_1591_spg1
LaCu
2025-07-01 22:38:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010194897).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm010194897
data_agm010194897
_cell_length_a 10.94861
_cell_length_b 10.94861
_cell_length_c 10.94861
_cell_angle_alpha 157.02155
_cell_angle_beta 157.02155
_cell_angle_gamma 32.72197
_cell_volume 199.84461
_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
La1 La 0.69778 0.69778 0.00000 1.00000
La2 La 0.44778 0.94778 0.50000 1.00000
La3 La 0.05222 0.55222 0.50000 1.00000
La4 La 0.30222 0.30222 0.00000 1.00000
Cu1 Cu 0.84436 0.84436 0.00000 1.00000
Cu2 Cu 0.59436 0.09436 0.50000 1.00000
Cu3 Cu 0.90564 0.40564 0.50000 1.00000
Cu4 Cu 0.15564 0.15564 0.00000 1.00000
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