La2PmNd6
Alexandria ALEXAlex-ID: agm005636664 · 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
AB2C6_657_spg71
La3Nd5 Pm2Nd Nd
2023-07-14 11:20:50.560182
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005636664).
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 agm005636664
data_agm005636664
_cell_length_a 10.41565
_cell_length_b 10.41565
_cell_length_c 10.41565
_cell_angle_alpha 160.66162
_cell_angle_beta 119.69591
_cell_angle_gamma 63.96144
_cell_volume 323.44090
_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
La1 La 0.33335 0.33335 0.00000 1.00000
La2 La 0.66665 0.66665 0.00000 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.01939 0.83368 0.18571 1.00000
Nd2 Nd 0.35203 0.16632 0.18571 1.00000
Nd3 Nd 0.98061 0.16632 0.81429 1.00000
Nd4 Nd 0.31064 0.50000 0.81064 1.00000
Nd5 Nd 0.64797 0.83368 0.81429 1.00000
Nd6 Nd 0.68936 0.50000 0.18936 1.00000
