LaSmY
Alexandria ALEXAlex-ID: agm005580432 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_2426_spg160
La3Sm5 Sm LaY2
2023-06-19 13:11:03.149331
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005580432).
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 agm005580432
data_agm005580432
_cell_length_a 3.64272
_cell_length_b 3.64206
_cell_length_c 18.04197
_cell_angle_alpha 84.24130
_cell_angle_beta 84.22028
_cell_angle_gamma 59.97520
_cell_volume 205.84187
_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 0.59447 0.19112 0.05129 1.00000
La2 La 0.98530 0.58453 0.87405 1.00000
Sm1 Sm 0.70756 0.30875 0.70457 1.00000
Sm2 Sm 0.87189 0.46775 0.22081 1.00000
Y1 Y 0.09529 0.69536 0.54334 1.00000
Y2 Y 0.48410 0.08149 0.38208 1.00000
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