La2NdSm5Y
Alexandria ALEXAlex-ID: agm005146243 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_205_spg140
Nd2SmY6 Sm2Y NdSm5 La3NdSm4
2023-01-19 18:30:02.186165
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005146243).
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 agm005146243
data_agm005146243
_cell_length_a 8.77890
_cell_length_b 8.77890
_cell_length_c 10.20955
_cell_angle_alpha 115.46348
_cell_angle_beta 115.46348
_cell_angle_gamma 90.00000
_cell_volume 624.68959
_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 0.11874 0.38126 0.00000 1.00000
La2 La 0.61874 0.11874 1.00000 1.00000
La3 La 0.38126 0.88126 0.00000 1.00000
La4 La 0.88126 0.61874 0.00000 1.00000
Nd1 Nd 0.25000 0.25000 0.50000 1.00000
Nd2 Nd 0.75000 0.75000 0.50000 1.00000
Sm1 Sm 0.92381 0.42381 0.28302 1.00000
Sm2 Sm 0.64079 0.14079 0.71698 1.00000
Sm3 Sm 0.07619 0.57619 0.71698 1.00000
Sm4 Sm 0.14079 0.07619 0.71698 1.00000
Sm5 Sm 0.57619 0.64079 0.71698 1.00000
Sm6 Sm 0.85921 0.92381 0.28302 1.00000
Sm7 Sm 0.42381 0.35921 0.28302 1.00000
Sm8 Sm 0.35921 0.85921 0.28302 1.00000
Sm9 Sm 0.50000 0.50000 0.00000 1.00000
Sm10 Sm 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.25000 0.75000 0.50000 1.00000
Y2 Y 0.75000 0.25000 0.50000 1.00000
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