Cs3Ac2SnSe6
Alexandria ALEXAlex-ID: agm004635170 · 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
AB2C3D6_175_spg12
CsAcSe2 CsSnSe2
2022-06-29 13:28:05.755153
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635170).
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 agm004635170
data_agm004635170
_cell_length_a 7.85676
_cell_length_b 7.85676
_cell_length_c 8.82632
_cell_angle_alpha 98.53634
_cell_angle_beta 98.53634
_cell_angle_gamma 120.00543
_cell_volume 450.54219
_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
Cs1 Cs 0.16757 0.83243 0.50000 1.00000
Cs2 Cs 0.83243 0.16757 0.50000 1.00000
Cs3 Cs 0.50000 0.50000 0.50000 1.00000
Ac1 Ac 0.33344 0.66656 0.00000 1.00000
Ac2 Ac 0.66656 0.33344 0.00000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.93570 0.61794 0.80729 1.00000
Se2 Se 0.74686 0.74686 0.19367 1.00000
Se3 Se 0.06430 0.38206 0.19271 1.00000
Se4 Se 0.61794 0.93570 0.80729 1.00000
Se5 Se 0.25314 0.25314 0.80633 1.00000
Se6 Se 0.38206 0.06430 0.19271 1.00000
获取直接链接