Ce3CuTe2
Alexandria ALEXAlex-ID: agm034359272 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2914_spg15
CeCu CeTe
2025-04-13 22:21:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034359272).
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 agm034359272
data_agm034359272
_cell_length_a 14.47780
_cell_length_b 13.79116
_cell_length_c 7.62526
_cell_angle_alpha 79.38757
_cell_angle_beta 69.43582
_cell_angle_gamma 31.17660
_cell_volume 716.36209
_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
Ce1 Ce 0.66074 0.16462 0.85448 1.00000
Ce2 Ce 0.16462 0.66074 0.32017 1.00000
Ce3 Ce 0.58926 0.08538 0.39552 1.00000
Ce4 Ce 0.08538 0.58926 0.92983 1.00000
Ce5 Ce 0.47651 0.02349 0.02349 1.00000
Ce6 Ce 0.02349 0.47651 0.47651 1.00000
Ce7 Ce 0.92983 0.39552 0.08538 1.00000
Ce8 Ce 0.39552 0.92983 0.58926 1.00000
Ce9 Ce 0.32017 0.85448 0.16462 1.00000
Ce10 Ce 0.85448 0.32017 0.66074 1.00000
Ce11 Ce 0.77349 0.22651 0.22651 1.00000
Ce12 Ce 0.22651 0.77349 0.77349 1.00000
Cu1 Cu 0.91625 0.91625 0.08375 1.00000
Cu2 Cu 0.33375 0.33375 0.16625 1.00000
Cu3 Cu 0.16625 0.16625 0.33375 1.00000
Cu4 Cu 0.08375 0.08375 0.91625 1.00000
Te1 Te 0.99716 0.99716 0.50284 1.00000
Te2 Te 0.42075 0.42075 0.57925 1.00000
Te3 Te 0.82925 0.82925 0.67075 1.00000
Te4 Te 0.25284 0.25284 0.74716 1.00000
Te5 Te 0.74716 0.74716 0.25284 1.00000
Te6 Te 0.67075 0.67075 0.82925 1.00000
Te7 Te 0.57925 0.57925 0.42075 1.00000
Te8 Te 0.50284 0.50284 0.99716 1.00000
