SmS9
Alexandria ALEXAlex-ID: agm062913506 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB9_55_spg2
SmS13 SmS2
2024-12-30 20:05:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062913506).
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 agm062913506
data_agm062913506
_cell_length_a 5.91976
_cell_length_b 6.75588
_cell_length_c 7.97660
_cell_angle_alpha 68.09896
_cell_angle_beta 72.75388
_cell_angle_gamma 79.59735
_cell_volume 281.79623
_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 0.21396 0.95223 0.98451 1.00000
S1 S 0.32124 0.58245 0.25086 1.00000
S2 S 0.18071 0.69564 0.74412 1.00000
S3 S 0.86464 0.43336 0.15852 1.00000
S4 S 0.51628 0.23273 0.00677 1.00000
S5 S 0.38387 0.94648 0.62255 1.00000
S6 S 0.39310 0.41133 0.75074 1.00000
S7 S 0.96052 0.61274 0.29549 1.00000
S8 S 0.95473 0.12656 0.28000 1.00000
S9 S 0.72126 0.00649 0.90644 1.00000
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