Sm(HoI4)2
Alexandria ALEXAlex-ID: agm003523936 · 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
AB2C8_219_spg12
HoI3 SmI2
2022-03-15 10:22:35.546605
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523936).
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 agm003523936
data_agm003523936
_cell_length_a 7.32794
_cell_length_b 9.55948
_cell_length_c 9.55948
_cell_angle_alpha 65.31724
_cell_angle_beta 89.36596
_cell_angle_gamma 89.36596
_cell_volume 608.41827
_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 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 0.36663 0.16834 0.16834 1.00000
Ho2 Ho 0.63337 0.83166 0.83166 1.00000
I1 I 0.75995 0.14855 0.70197 1.00000
I2 I 0.24005 0.29803 0.85145 1.00000
I3 I 0.76855 0.16853 0.16853 1.00000
I4 I 0.23145 0.83147 0.83147 1.00000
I5 I 0.75995 0.70197 0.14855 1.00000
I6 I 0.24005 0.85145 0.29803 1.00000
I7 I 0.26348 0.33733 0.33733 1.00000
I8 I 0.73652 0.66267 0.66267 1.00000
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