CsAgS14
Alexandria ALEXAlex-ID: agm005755863 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC14_125_spg74
CsS10 CsS3 AgS9
2023-07-23 19:54:22.138519
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755863).
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 agm005755863
data_agm005755863
_cell_length_a 11.78249
_cell_length_b 11.78249
_cell_length_c 11.78249
_cell_angle_alpha 141.15854
_cell_angle_beta 94.01910
_cell_angle_gamma 98.68642
_cell_volume 966.50473
_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 0.69181 0.25000 0.44181 1.00000
Cs2 Cs 0.30819 0.75000 0.55819 1.00000
Ag1 Ag 0.00000 0.50000 0.00000 1.00000
Ag2 Ag 0.00000 0.00000 0.50000 1.00000
S1 S 0.71323 0.81253 0.90070 1.00000
S2 S 0.28677 0.18747 0.09929 1.00000
S3 S 0.41182 0.31253 0.09929 1.00000
S4 S 0.58818 0.68747 0.90070 1.00000
S5 S 0.00743 0.36722 0.64021 1.00000
S6 S 0.99257 0.63278 0.35979 1.00000
S7 S 0.22701 0.86722 0.35979 1.00000
S8 S 0.77299 0.13278 0.64021 1.00000
S9 S 0.22236 0.36304 0.85932 1.00000
S10 S 0.77764 0.63696 0.14068 1.00000
S11 S 0.00372 0.86304 0.14068 1.00000
S12 S 0.99628 0.13696 0.85932 1.00000
S13 S 0.71735 0.14649 0.04860 1.00000
S14 S 0.28265 0.33125 0.42915 1.00000
S15 S 0.59789 0.64649 0.42915 1.00000
S16 S 0.40211 0.83125 0.04860 1.00000
S17 S 0.28265 0.85351 0.95140 1.00000
S18 S 0.71735 0.66875 0.57085 1.00000
S19 S 0.40211 0.35351 0.57085 1.00000
S20 S 0.59789 0.16875 0.95140 1.00000
S21 S 0.30347 0.65234 0.14360 1.00000
S22 S 0.69653 0.84013 0.34888 1.00000
S23 S 0.00875 0.15234 0.34888 1.00000
S24 S 0.99125 0.34013 0.14360 1.00000
S25 S 0.69653 0.34766 0.85640 1.00000
S26 S 0.30347 0.15987 0.65112 1.00000
S27 S 0.99125 0.84766 0.65112 1.00000
S28 S 0.00875 0.65987 0.85640 1.00000
