Sm3DyBi2
Alexandria ALEXAlex-ID: agm003423902 · 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
AB2C3_904_spg12
Sm3Dy2Bi3 Sm5Bi3 Dy
2022-02-14 17:52:27.811308
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003423902).
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 agm003423902
data_agm003423902
_cell_length_a 4.39647
_cell_length_b 10.74747
_cell_length_c 10.20860
_cell_angle_alpha 125.15202
_cell_angle_beta 90.00000
_cell_angle_gamma 101.80229
_cell_volume 381.85565
_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
Sm1 Sm 0.31208 0.62416 0.51672 1.00000
Sm2 Sm 0.94499 0.88998 0.56087 1.00000
Sm3 Sm 0.64499 0.28998 0.81440 1.00000
Sm4 Sm 0.35501 0.71002 0.18560 1.00000
Sm5 Sm 0.05501 0.11002 0.43913 1.00000
Sm6 Sm 0.68792 0.37584 0.48328 1.00000
Dy1 Dy 0.89044 0.78088 0.88983 1.00000
Dy2 Dy 0.10956 0.21912 0.11017 1.00000
Bi1 Bi 0.49372 0.98744 0.83090 1.00000
Bi2 Bi 0.50628 0.01256 0.16910 1.00000
Bi3 Bi 0.74768 0.49537 0.21870 1.00000
Bi4 Bi 0.25232 0.50463 0.78130 1.00000
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