Ac5(LaNd)3
Alexandria ALEXAlex-ID: agm005685332 · 空间群: P-62m (#189)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C5_64_spg189
LaNd Ac
2023-06-22 23:09:31.089490
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685332).
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 agm005685332
data_agm005685332
_cell_length_a 3.69183
_cell_length_b 11.93750
_cell_length_c 11.93750
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00432
_cell_angle_gamma 89.99980
_cell_volume 455.61560
_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
Ac1 Ac 0.50000 0.66667 0.33333 1.00000
Ac2 Ac 0.50000 0.33333 0.66667 1.00000
Ac3 Ac 0.50000 0.34112 1.00000 1.00000
Ac4 Ac 0.50004 0.65888 0.65888 1.00000
Ac5 Ac 0.49996 1.00000 0.34112 1.00000
La1 La 1.00000 0.60933 0.00000 1.00000
La2 La 1.00000 0.00000 0.60933 1.00000
La3 La 0.00000 0.39067 0.39067 1.00000
Nd1 Nd 0.50000 0.84228 0.00000 1.00000
Nd2 Nd 0.49997 0.15772 0.15772 1.00000
Nd3 Nd 0.50003 0.00000 0.84228 1.00000
获取直接链接