Ce2UCuN5
Alexandria ALEXAlex-ID: agm005158287 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_220_spg36
Ce3UN6 UN2 CeN2 Cu
2023-01-16 18:14:47.661872
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005158287).
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 agm005158287
data_agm005158287
_cell_length_a 3.45870
_cell_length_b 6.96593
_cell_length_c 10.37234
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.37448
_cell_volume 242.07840
_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 0.87746 0.75491 0.80432 1.00000
Ce2 Ce 0.10846 0.21691 0.67843 1.00000
Ce3 Ce 0.12254 0.24509 0.30432 1.00000
Ce4 Ce 0.89154 0.78309 0.17843 1.00000
U1 U 0.80347 0.60694 0.50377 1.00000
U2 U 0.19653 0.39306 0.00377 1.00000
Cu1 Cu 0.50573 0.01147 0.97515 1.00000
Cu2 Cu 0.49427 0.98853 0.47515 1.00000
N1 N 0.35498 0.70996 0.00957 1.00000
N2 N 0.70574 0.41149 0.86906 1.00000
N3 N 0.49525 0.99051 0.78200 1.00000
N4 N 0.28691 0.57381 0.63965 1.00000
N5 N 0.95429 0.90858 0.56202 1.00000
N6 N 0.64502 0.29004 0.50957 1.00000
N7 N 0.29426 0.58851 0.36906 1.00000
N8 N 0.50475 0.00949 0.28200 1.00000
N9 N 0.71309 0.42619 0.13965 1.00000
N10 N 0.04571 0.09142 0.06202 1.00000
获取直接链接