Rb2MnS3
Alexandria ALEXAlex-ID: agm034113892 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_262_spg12
Rb3MnS4 Rb(MnS2)4 Rb7(MnS2)5
2025-04-14 09:31:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034113892).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm034113892
data_agm034113892
_cell_length_a 6.87137
_cell_length_b 7.72278
_cell_length_c 9.18046
_cell_angle_alpha 65.18343
_cell_angle_beta 69.89049
_cell_angle_gamma 74.03741
_cell_volume 410.31555
_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 0.96931 0.48548 0.50565 1.00000
Rb2 Rb 0.61778 0.40010 0.23986 1.00000
Rb3 Rb 0.29746 0.58194 0.78815 1.00000
Rb4 Rb 0.66136 0.00909 0.02321 1.00000
Mn1 Mn 0.77889 0.96020 0.62761 1.00000
Mn2 Mn 0.13506 0.00468 0.38347 1.00000
S1 S 0.06775 0.01890 0.63034 1.00000
S2 S 0.21757 0.27098 0.19213 1.00000
S3 S 0.54433 0.19403 0.66004 1.00000
S4 S 0.36593 0.76142 0.36756 1.00000
S5 S 0.72642 0.68767 0.82305 1.00000
S6 S 0.84386 0.95388 0.37666 1.00000
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