La2Nd2Sm5
Alexandria ALEXAlex-ID: agm009785331 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_164_spg12
LaNd3Sm4 NdSm5 La3NdSm4
2024-05-10 00:40:20.528105
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009785331).
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 agm009785331
data_agm009785331
_cell_length_a 6.35887
_cell_length_b 6.35887
_cell_length_c 15.11013
_cell_angle_alpha 69.58032
_cell_angle_beta 69.58032
_cell_angle_gamma 33.49699
_cell_volume 314.01831
_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 0.88962 0.88962 0.44378 1.00000
La2 La 0.11038 0.11038 0.55622 1.00000
Nd1 Nd 0.22285 0.22285 0.11039 1.00000
Nd2 Nd 0.77715 0.77715 0.88961 1.00000
Sm1 Sm 0.32995 0.32995 0.66968 1.00000
Sm2 Sm 0.67005 0.67005 0.33032 1.00000
Sm3 Sm 0.55410 0.55410 0.78003 1.00000
Sm4 Sm 0.44590 0.44590 0.21997 1.00000
Sm5 Sm 0.00000 0.00000 0.00000 1.00000
