RbUMnS4
Alexandria ALEXAlex-ID: agm005053992 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_368_spg74
RbUMnS3 Rb4U3S10 RbU2S5 Rb(MnS2)4
2022-07-16 16:28:19.849391
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005053992).
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 agm005053992
data_agm005053992
_cell_length_a 7.79132
_cell_length_b 8.25130
_cell_length_c 8.47017
_cell_angle_alpha 120.88141
_cell_angle_beta 90.00000
_cell_angle_gamma 118.17247
_cell_volume 390.26709
_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 0.83723 0.67446 0.08723 1.00000
Rb2 Rb 0.16277 0.32554 0.91277 1.00000
U1 U 0.50000 0.00000 0.50000 1.00000
U2 U 0.50000 0.00000 0.00000 1.00000
Mn1 Mn 0.50000 0.50000 0.50000 1.00000
Mn2 Mn 0.00000 0.50000 0.50000 1.00000
S1 S 0.71922 0.43844 0.65544 1.00000
S2 S 0.29844 0.01431 0.25715 1.00000
S3 S 0.71586 0.01430 0.25715 1.00000
S4 S 0.71922 0.43844 0.28300 1.00000
S5 S 0.28078 0.56156 0.71700 1.00000
S6 S 0.70156 0.98569 0.74285 1.00000
S7 S 0.28414 0.98570 0.74285 1.00000
S8 S 0.28078 0.56156 0.34456 1.00000
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