La5Tb3Sm4
Alexandria ALEXAlex-ID: agm003383151 · 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
A3B4C5_102_spg12
La3Tb4Sm La3Sm5 LaSm
2022-02-12 05:53:06.777146
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003383151).
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 agm003383151
data_agm003383151
_cell_length_a 5.83880
_cell_length_b 9.74462
_cell_length_c 9.71226
_cell_angle_alpha 113.20930
_cell_angle_beta 72.50699
_cell_angle_gamma 72.56696
_cell_volume 425.75279
_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 0.67889 0.92930 0.71293 1.00000
La2 La 0.50000 0.50000 0.50000 1.00000
La3 La 0.26077 0.40641 0.07205 1.00000
La4 La 0.73923 0.59359 0.92795 1.00000
La5 La 0.32111 0.07070 0.28707 1.00000
Tb1 Tb 0.45939 0.72300 0.35822 1.00000
Tb2 Tb 0.00000 0.50000 0.50000 1.00000
Tb3 Tb 0.54061 0.27700 0.64178 1.00000
Sm1 Sm 0.05475 0.14430 0.74619 1.00000
Sm2 Sm 0.17347 0.79530 0.85777 1.00000
Sm3 Sm 0.82653 0.20470 0.14223 1.00000
Sm4 Sm 0.94525 0.85570 0.25381 1.00000
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