Sn2Hg(SCl)2
Alexandria ALEXAlex-ID: agm016562880 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_256_spg2
SnCl2 SnS2 Hg
2025-05-28 02:00:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016562880).
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}
}
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# CIF generated by HEAS from Alexandria entry agm016562880
data_agm016562880
_cell_length_a 4.51233
_cell_length_b 8.21218
_cell_length_c 7.34395
_cell_angle_alpha 80.85821
_cell_angle_beta 76.43555
_cell_angle_gamma 55.73153
_cell_volume 218.50221
_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
Sn1 Sn 0.26036 0.48550 0.26506 1.00000
Sn2 Sn 0.73964 0.51450 0.73494 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
S1 S 0.05664 0.70526 0.94483 1.00000
S2 S 0.94336 0.29474 0.05517 1.00000
Cl1 Cl 0.66679 0.25578 0.62916 1.00000
Cl2 Cl 0.33321 0.74422 0.37084 1.00000
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