La2Pm3Nd5
Alexandria ALEXAlex-ID: agm003345129 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_130_spg72
La3Nd5 Pm2Nd Nd
2022-01-30 21:56:00.171748
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003345129).
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 agm003345129
data_agm003345129
_cell_length_a 8.33694
_cell_length_b 10.89854
_cell_length_c 10.89854
_cell_angle_alpha 54.53265
_cell_angle_beta 67.51264
_cell_angle_gamma 67.51262
_cell_volume 728.02185
_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 0.11638 0.77365 0.99359 1.00000
La2 La 0.88362 0.22635 0.00641 1.00000
La3 La 0.61638 0.99359 0.77365 1.00000
La4 La 0.38362 0.00641 0.22635 1.00000
Pm1 Pm 0.25000 0.00000 0.00000 1.00000
Pm2 Pm 0.75000 0.00000 0.00000 1.00000
Pm3 Pm 0.37563 0.37607 0.87266 1.00000
Pm4 Pm 0.62437 0.62393 0.12734 1.00000
Pm5 Pm 0.87563 0.87266 0.37607 1.00000
Pm6 Pm 0.12437 0.12734 0.62393 1.00000
Nd1 Nd 0.25000 0.50000 0.50000 1.00000
Nd2 Nd 0.75000 0.50000 0.50000 1.00000
Nd3 Nd 0.49046 0.75954 0.75954 1.00000
Nd4 Nd 0.00954 0.24046 0.24046 1.00000
Nd5 Nd 0.50954 0.24046 0.24046 1.00000
Nd6 Nd 0.99046 0.75954 0.75954 1.00000
Nd7 Nd 0.13369 0.46619 0.26642 1.00000
Nd8 Nd 0.86631 0.53381 0.73358 1.00000
Nd9 Nd 0.63369 0.26642 0.46619 1.00000
Nd10 Nd 0.36631 0.73358 0.53381 1.00000
