Nd3ThCu5
Alexandria ALEXAlex-ID: agm072495403 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1183_spg44
ThCu2 NdCu
2024-09-24 05:09:23.888927
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072495403).
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 agm072495403
data_agm072495403
_cell_length_a 5.65396
_cell_length_b 5.76765
_cell_length_c 6.75955
_cell_angle_alpha 110.93917
_cell_angle_beta 99.92535
_cell_angle_gamma 99.38951
_cell_volume 196.64682
_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
Nd1 Nd 0.46028 0.52358 0.97853 1.00000
Nd2 Nd 0.69266 0.49350 0.50736 1.00000
Nd3 Nd 0.30808 0.91597 0.57500 1.00000
Th1 Th 0.09775 0.97049 0.06760 1.00000
Cu1 Cu 0.62467 0.08303 0.03966 1.00000
Cu2 Cu 0.15430 0.35914 0.51219 1.00000
Cu3 Cu 0.78420 0.95210 0.37122 1.00000
Cu4 Cu 0.98668 0.49677 0.17411 1.00000
Cu5 Cu 0.89138 0.20542 0.77433 1.00000
获取直接链接