CsK4S8
Alexandria ALEXAlex-ID: agm097790210 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1430_spg1
Cs2S3 Cs2S5 K2S3
2025-06-19 13:04:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097790210).
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 agm097790210
data_agm097790210
_cell_length_a 6.11653
_cell_length_b 10.32896
_cell_length_c 10.26935
_cell_angle_alpha 131.82918
_cell_angle_beta 97.19911
_cell_angle_gamma 90.10744
_cell_volume 476.41159
_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 0.50278 0.78365 0.83954 1.00000
K1 K 0.21528 0.17374 0.37056 1.00000
K2 K 0.20047 0.36063 0.92057 1.00000
K3 K 0.83843 0.48441 0.38605 1.00000
K4 K 0.72926 0.92131 0.38535 1.00000
S1 S 0.67438 0.28678 0.77390 1.00000
S2 S 0.01698 0.51726 0.73556 1.00000
S3 S 0.30869 0.78309 0.45698 1.00000
S4 S 0.69074 0.12440 0.25928 1.00000
S5 S 0.08595 0.88714 0.62916 1.00000
S6 S 0.71399 0.37556 0.64874 1.00000
S7 S 0.32890 0.52472 0.33842 1.00000
S8 S 0.19415 0.77732 0.25589 1.00000
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