SmGeI5
Alexandria ALEXAlex-ID: agm005798282 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_50_spg11
GeI2 SmI3
2023-07-14 06:02:44.917740
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005798282).
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 agm005798282
data_agm005798282
_cell_length_a 4.43262
_cell_length_b 9.07456
_cell_length_c 15.25152
_cell_angle_alpha 95.70778
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 610.43581
_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 0.25000 0.39548 0.35057 1.00000
Sm2 Sm 0.75000 0.60452 0.64943 1.00000
Ge1 Ge 0.75000 0.10999 0.11391 1.00000
Ge2 Ge 0.25000 0.89001 0.88609 1.00000
I1 I 0.25000 0.06573 0.30904 1.00000
I2 I 0.75000 0.13238 0.93089 1.00000
I3 I 0.75000 0.31589 0.48823 1.00000
I4 I 0.25000 0.33868 0.12871 1.00000
I5 I 0.25000 0.39566 0.70885 1.00000
I6 I 0.75000 0.60434 0.29115 1.00000
I7 I 0.75000 0.66132 0.87129 1.00000
I8 I 0.25000 0.68411 0.51177 1.00000
I9 I 0.25000 0.86762 0.06911 1.00000
I10 I 0.75000 0.93427 0.69096 1.00000
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