SmHS
Alexandria ALEXAlex-ID: agm073536660 · 空间群: P-6m2 (#187)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_9409_spg153
SmHS
2025-03-01 05:22:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073536660).
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 agm073536660
data_agm073536660
_cell_length_a 3.86311
_cell_length_b 3.86311
_cell_length_c 11.32292
_cell_angle_alpha 89.99971
_cell_angle_beta 90.00029
_cell_angle_gamma 120.00062
_cell_volume 146.33898
_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 0.44776 0.55224 0.26365 1.00000
Sm2 Sm 0.44787 0.55213 0.92633 1.00000
Sm3 Sm 0.78106 0.21894 0.59499 1.00000
H1 H 0.78125 0.21875 0.93042 1.00000
H2 H 0.44767 0.55233 0.59486 1.00000
H3 H 0.78110 0.21890 0.25948 1.00000
S1 S 0.11445 0.88555 0.09499 1.00000
S2 S 0.11450 0.88550 0.76089 1.00000
S3 S 0.11440 0.88560 0.42907 1.00000
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