Rb2Se5S4
Alexandria ALEXAlex-ID: agm005665151 · 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
A2B4C5_1069_spg1
RbSe4 Rb2S5 Se
2023-06-23 00:00:45.354449
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665151).
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 agm005665151
data_agm005665151
_cell_length_a 13.82086
_cell_length_b 6.37202
_cell_length_c 12.37503
_cell_angle_alpha 72.70906
_cell_angle_beta 147.62532
_cell_angle_gamma 82.50456
_cell_volume 370.96023
_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 0.49817 0.08265 0.21861 1.00000
Rb2 Rb 0.78288 0.29041 0.04804 1.00000
Se1 Se 0.04736 0.08250 0.89364 1.00000
Se2 Se 0.02515 0.48386 0.03913 1.00000
Se3 Se 0.69320 0.71011 0.17581 1.00000
Se4 Se 0.74904 0.04361 0.73841 1.00000
Se5 Se 0.43818 0.14840 0.57464 1.00000
S1 S 0.29896 0.45259 0.72170 1.00000
S2 S 0.83295 0.22130 0.39959 1.00000
S3 S 0.16303 0.89294 0.86319 1.00000
S4 S 0.97109 0.59163 0.32725 1.00000
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