Rb2CoS2
Alexandria ALEXAlex-ID: agm005507976 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1646_spg72
Rb2Co3S4 Rb2S
2023-03-20 13:14:38.430995
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005507976).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm005507976
data_agm005507976
_cell_length_a 8.10091
_cell_length_b 8.10091
_cell_length_c 8.10091
_cell_angle_alpha 136.03615
_cell_angle_beta 128.04466
_cell_angle_gamma 70.36339
_cell_volume 284.96330
_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 0.68598 0.85320 0.83279 1.00000
Rb2 Rb 0.02041 0.35320 0.66721 1.00000
Rb3 Rb 0.31402 0.14680 0.16721 1.00000
Rb4 Rb 0.97959 0.64680 0.33279 1.00000
Co1 Co 0.50000 0.75000 0.25000 1.00000
Co2 Co 0.50000 0.25000 0.75000 1.00000
S1 S 0.23336 0.90515 0.32821 1.00000
S2 S 0.57693 0.40515 0.17179 1.00000
S3 S 0.76664 0.09485 0.67179 1.00000
S4 S 0.42307 0.59485 0.82821 1.00000
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