Mg3Sn5Cl16
Alexandria ALEXAlex-ID: agm005582003 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B5C16_9_spg8
SnCl2 MgCl2
2023-06-08 18:58:17.987385
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005582003).
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 agm005582003
data_agm005582003
_cell_length_a 8.14087
_cell_length_b 8.14087
_cell_length_c 13.31827
_cell_angle_alpha 93.11545
_cell_angle_beta 93.11545
_cell_angle_gamma 57.45692
_cell_volume 742.63298
_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
Mg1 Mg 0.83323 0.83323 0.78414 1.00000
Mg2 Mg 0.16023 0.66266 0.29060 1.00000
Mg3 Mg 0.66266 0.16023 0.29060 1.00000
Sn1 Sn 0.32662 0.82989 0.78968 1.00000
Sn2 Sn 0.67696 0.67696 0.52964 1.00000
Sn3 Sn 0.82989 0.32662 0.78968 1.00000
Sn4 Sn 0.15145 0.15145 0.28837 1.00000
Sn5 Sn 0.33829 0.33829 0.04060 1.00000
Cl1 Cl 0.30451 0.82508 0.39533 1.00000
Cl2 Cl 0.51976 0.51976 0.63359 1.00000
Cl3 Cl 0.69730 0.69730 0.89642 1.00000
Cl4 Cl 0.97716 0.97716 0.67446 1.00000
Cl5 Cl 0.98113 0.98113 0.18348 1.00000
Cl6 Cl 0.82508 0.30451 0.39533 1.00000
Cl7 Cl 0.52983 0.97711 0.66710 1.00000
Cl8 Cl 0.97711 0.52983 0.66710 1.00000
Cl9 Cl 0.15192 0.15192 0.92108 1.00000
Cl10 Cl 0.84404 0.84404 0.38163 1.00000
Cl11 Cl 0.03225 0.51647 0.16170 1.00000
Cl12 Cl 0.51647 0.03225 0.16170 1.00000
Cl13 Cl 0.35001 0.35001 0.38777 1.00000
Cl14 Cl 0.15065 0.68048 0.88540 1.00000
Cl15 Cl 0.48316 0.48316 0.18367 1.00000
Cl16 Cl 0.68048 0.15065 0.88540 1.00000
