Ac5(LaSm)2
Alexandria ALEXAlex-ID: agm009239672 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_245_spg12
LaSm Ac
2024-05-14 09:27:23.679313
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009239672).
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 agm009239672
data_agm009239672
_cell_length_a 6.68935
_cell_length_b 6.67534
_cell_length_c 8.65404
_cell_angle_alpha 74.80685
_cell_angle_beta 82.37661
_cell_angle_gamma 80.37816
_cell_volume 366.07507
_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 0.66451 0.32514 0.66747 1.00000
Ac2 Ac 0.89178 0.43798 0.22636 1.00000
Ac3 Ac 0.10822 0.56202 0.77364 1.00000
Ac4 Ac 0.33549 0.67486 0.33253 1.00000
Ac5 Ac 0.00000 0.00000 0.00000 1.00000
La1 La 0.55168 0.77634 0.88542 1.00000
La2 La 0.44832 0.22366 0.11458 1.00000
Sm1 Sm 0.77279 0.89150 0.44835 1.00000
Sm2 Sm 0.22721 0.10850 0.55165 1.00000
获取直接链接