Rb5CoS5
Alexandria ALEXAlex-ID: agm003673376 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C5_40_spg12
Rb2Co3S4 Rb2S RbS
2022-04-09 18:21:26.567755
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003673376).
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 agm003673376
data_agm003673376
_cell_length_a 6.60079
_cell_length_b 7.92779
_cell_length_c 8.68838
_cell_angle_alpha 108.86984
_cell_angle_beta 90.00000
_cell_angle_gamma 114.60165
_cell_volume 386.35076
_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 0.69351 0.38703 0.30395 1.00000
Rb2 Rb 0.66157 0.32314 0.83609 1.00000
Rb3 Rb 0.00000 0.00000 0.50000 1.00000
Rb4 Rb 0.33843 0.67686 0.16391 1.00000
Rb5 Rb 0.30649 0.61297 0.69605 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
S1 S 0.88575 0.77151 0.11387 1.00000
S2 S 0.87387 0.74773 0.74466 1.00000
S3 S 0.50000 0.00000 0.00000 1.00000
S4 S 0.12613 0.25227 0.25534 1.00000
S5 S 0.11425 0.22849 0.88613 1.00000
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