LaSm3Y8
Alexandria ALEXAlex-ID: agm017004048 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_851_spg6
SmY2 LaY2
2025-03-13 03:16:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017004048).
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 agm017004048
data_agm017004048
_cell_length_a 8.94516
_cell_length_b 3.63681
_cell_length_c 12.56901
_cell_angle_alpha 90.00000
_cell_angle_beta 103.55026
_cell_angle_gamma 90.00000
_cell_volume 397.51222
_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 0.24678 0.00000 0.79078 1.00000
Sm1 Sm 0.91125 0.00000 0.90184 1.00000
Sm2 Sm 0.58147 0.00000 0.18103 1.00000
Sm3 Sm 0.91286 0.50000 0.15433 1.00000
Y1 Y 0.58126 0.50000 0.92960 1.00000
Y2 Y 0.58193 0.00000 0.67917 1.00000
Y3 Y 0.91113 0.50000 0.65052 1.00000
Y4 Y 0.91340 0.00000 0.40327 1.00000
Y5 Y 0.24838 0.50000 0.53903 1.00000
Y6 Y 0.24892 0.00000 0.29236 1.00000
Y7 Y 0.24679 0.50000 0.04389 1.00000
Y8 Y 0.58209 0.50000 0.43075 1.00000
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