LaSm6Y5
Alexandria ALEXAlex-ID: agm003675813 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_51_spg65
Sm2Y LaY2
2022-04-28 05:34:21.770900
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003675813).
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 agm003675813
data_agm003675813
_cell_length_a 11.42475
_cell_length_b 5.11313
_cell_length_c 8.09149
_cell_angle_alpha 71.54217
_cell_angle_beta 81.84806
_cell_angle_gamma 63.40634
_cell_volume 400.92420
_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 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.74818 0.08506 0.33348 1.00000
Sm2 Sm 0.25184 0.58150 0.33355 1.00000
Sm3 Sm 0.25260 0.24759 0.99996 1.00000
Sm4 Sm 0.74740 0.75241 0.00004 1.00000
Sm5 Sm 0.74816 0.41850 0.66645 1.00000
Sm6 Sm 0.25182 0.91494 0.66652 1.00000
Y1 Y 0.50000 0.16692 0.66634 1.00000
Y2 Y 1.00000 0.33174 0.33647 1.00000
Y3 Y 0.50000 0.50000 0.00000 1.00000
Y4 Y 0.00000 0.66826 0.66353 1.00000
Y5 Y 0.50000 0.83308 0.33366 1.00000
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