La3(SmBi2)2
Alexandria ALEXAlex-ID: agm003340407 · 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
A2B3C4_311_spg12
La5Bi3 Sm5Bi3 LaBi
2022-01-29 18:31:34.448693
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003340407).
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 agm003340407
data_agm003340407
_cell_length_a 4.88866
_cell_length_b 8.26365
_cell_length_c 10.73934
_cell_angle_alpha 130.01077
_cell_angle_beta 90.00000
_cell_angle_gamma 107.20511
_cell_volume 306.51547
_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 0.65220 0.30439 0.72661 1.00000
La2 La 0.00000 0.00000 0.00000 1.00000
La3 La 0.34780 0.69561 0.27339 1.00000
Sm1 Sm 0.64954 0.29909 0.33502 1.00000
Sm2 Sm 0.35046 0.70091 0.66498 1.00000
Bi1 Bi 0.65598 0.31196 0.03769 1.00000
Bi2 Bi 0.34402 0.68804 0.96231 1.00000
Bi3 Bi 0.93597 0.87193 0.58717 1.00000
Bi4 Bi 0.06403 0.12807 0.41283 1.00000
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