Sm4UI12
Alexandria ALEXAlex-ID: agm099533612 · 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
AB4C12_994_spg8
SmI3 U
2025-04-16 07:59:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099533612).
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 agm099533612
data_agm099533612
_cell_length_a 6.15660
_cell_length_b 12.23649
_cell_length_c 11.52737
_cell_angle_alpha 94.75223
_cell_angle_beta 98.71298
_cell_angle_gamma 96.85316
_cell_volume 847.74299
_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 0.59426 0.92835 0.81445 1.00000
Sm2 Sm 0.72294 0.60247 0.87363 1.00000
Sm3 Sm 0.83298 0.91645 0.55280 1.00000
Sm4 Sm 0.98758 0.59907 0.61154 1.00000
U1 U 0.70934 0.26086 0.22626 1.00000
I1 I 0.50587 0.12443 0.98860 1.00000
I2 I 0.63325 0.79641 0.03295 1.00000
I3 I 0.78242 0.37114 0.49712 1.00000
I4 I 0.52255 0.69330 0.62972 1.00000
I5 I 0.75440 0.03428 0.32391 1.00000
I6 I 0.75246 0.47421 0.09510 1.00000
I7 I 0.35258 0.99773 0.57158 1.00000
I8 I 0.19017 0.50031 0.84100 1.00000
I9 I 0.22352 0.29127 0.25075 1.00000
I10 I 0.95958 0.72538 0.39098 1.00000
I11 I 0.91990 0.11710 0.74825 1.00000
I12 I 0.05622 0.81725 0.80135 1.00000
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