La6Nd5Th
Alexandria ALEXAlex-ID: agm006117600 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_50_spg71
La2Nd LaNd LaTh4
2023-08-29 21:59:18.231029
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006117600).
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 agm006117600
data_agm006117600
_cell_length_a 5.22785
_cell_length_b 10.45898
_cell_length_c 9.77351
_cell_angle_alpha 122.20411
_cell_angle_beta 105.52431
_cell_angle_gamma 90.03810
_cell_volume 428.90145
_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 0.66131 0.16115 0.32269 1.00000
Nd2 Nd 0.33305 0.33302 0.66612 1.00000
Nd3 Nd 0.00000 0.50000 0.00000 1.00000
Nd4 Nd 0.66695 0.66698 0.33388 1.00000
Nd5 Nd 0.33869 0.83885 0.67731 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
La1 La 0.83653 0.58872 0.67325 1.00000
La2 La 0.83659 0.08450 0.67329 1.00000
La3 La 0.49981 0.75565 0.00003 1.00000
La4 La 0.50019 0.24435 0.99997 1.00000
La5 La 0.16341 0.91550 0.32671 1.00000
La6 La 0.16347 0.41128 0.32675 1.00000
获取直接链接