Sm2I2Cl
Alexandria ALEXAlex-ID: agm005877326 · 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
AB2C2_2587_spg12
Sm2Cl3 Sm SmI2
2023-08-03 13:53:23.513377
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877326).
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 agm005877326
data_agm005877326
_cell_length_a 4.23940
_cell_length_b 7.81113
_cell_length_c 11.70102
_cell_angle_alpha 94.05201
_cell_angle_beta 100.43708
_cell_angle_gamma 89.99999
_cell_volume 380.07751
_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 0.18606 0.91765 0.37212 1.00000
Sm2 Sm 0.81394 0.08235 0.62788 1.00000
Sm3 Sm 0.32621 0.65761 0.65241 1.00000
Sm4 Sm 0.67379 0.34239 0.34759 1.00000
I1 I 0.08401 0.18999 0.16802 1.00000
I2 I 0.91599 0.81001 0.83198 1.00000
I3 I 0.40414 0.27522 0.80828 1.00000
I4 I 0.59586 0.72478 0.19172 1.00000
Cl1 Cl 0.20566 0.56894 0.41133 1.00000
Cl2 Cl 0.79434 0.43106 0.58867 1.00000
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