Rb4S8F
Alexandria ALEXAlex-ID: agm097323933 · 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
AB4C8_1369_spg8
RbS3 Rb2S5 RbF
2025-06-15 11:42:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097323933).
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 agm097323933
data_agm097323933
_cell_length_a 11.46159
_cell_length_b 11.46159
_cell_length_c 4.78455
_cell_angle_alpha 89.53540
_cell_angle_beta 90.46460
_cell_angle_gamma 49.25284
_cell_volume 476.08772
_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
Rb1 Rb 0.91651 0.08349 0.55194 1.00000
Rb2 Rb 0.06262 0.45290 0.15582 1.00000
Rb3 Rb 0.32151 0.67849 0.13602 1.00000
Rb4 Rb 0.54710 0.93738 0.15582 1.00000
S1 S 0.80091 0.67972 0.65417 1.00000
S2 S 0.74099 0.47436 0.29346 1.00000
S3 S 0.39688 0.31745 0.63734 1.00000
S4 S 0.45324 0.78629 0.64275 1.00000
S5 S 0.52564 0.25901 0.29346 1.00000
S6 S 0.68255 0.60312 0.63734 1.00000
S7 S 0.21371 0.54676 0.64275 1.00000
S8 S 0.32028 0.19909 0.65417 1.00000
F1 F 0.04243 0.95757 0.06001 1.00000
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