RbS11
Alexandria ALEXAlex-ID: agm037348992 · 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
AB11_7_spg119
RbS11
2024-09-13 13:07:41.384347
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm037348992).
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 agm037348992
data_agm037348992
_cell_length_a 6.64288
_cell_length_b 8.33135
_cell_length_c 9.72865
_cell_angle_alpha 121.78758
_cell_angle_beta 67.17022
_cell_angle_gamma 115.25142
_cell_volume 404.48831
_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 0.88100 0.03434 0.99285 1.00000
S1 S 0.25356 0.52086 0.04467 1.00000
S2 S 0.17103 0.84721 0.56849 1.00000
S3 S 0.90387 0.69582 0.16700 1.00000
S4 S 0.46353 0.27857 0.09388 1.00000
S5 S 0.69573 0.04431 0.41949 1.00000
S6 S 0.61305 0.57726 0.70721 1.00000
S7 S 0.69883 0.52933 0.27780 1.00000
S8 S 0.32917 0.62323 0.86703 1.00000
S9 S 0.53000 0.37908 0.93142 1.00000
S10 S 0.47698 0.86700 0.55665 1.00000
S11 S 0.48325 0.10299 0.37352 1.00000
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