CsRb5Mn4Sn5Se17
Alexandria ALEXAlex-ID: agm011079822 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5D5E17_2_spg5
Rb10Mn4Sn4Se17 Cs2MnSnSe4 Rb2SnSe3 Rb(MnSe2)4 SnSe
2024-11-08 03:20:32.397784
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011079822).
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 agm011079822
data_agm011079822
_cell_length_a 11.80474
_cell_length_b 11.80474
_cell_length_c 14.86331
_cell_angle_alpha 51.06799
_cell_angle_beta 51.06799
_cell_angle_gamma 54.11653
_cell_volume 1189.08722
_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
Cs1 Cs 0.75594 0.24406 0.50000 1.00000
Rb1 Rb 0.02575 0.51320 0.47942 1.00000
Rb2 Rb 0.49936 0.99273 0.01862 1.00000
Rb3 Rb 0.00727 0.50064 0.98138 1.00000
Rb4 Rb 0.48680 0.97425 0.52058 1.00000
Rb5 Rb 0.89761 0.10239 0.00000 1.00000
Mn1 Mn 0.53192 0.74681 0.36543 1.00000
Mn2 Mn 0.25319 0.46808 0.63457 1.00000
Mn3 Mn 0.12297 0.88566 0.35598 1.00000
Mn4 Mn 0.11434 0.87703 0.64402 1.00000
Sn1 Sn 0.49446 0.50554 0.00000 1.00000
Sn2 Sn 0.46155 0.52517 0.73052 1.00000
Sn3 Sn 0.81121 0.73588 0.71969 1.00000
Sn4 Sn 0.26412 0.18879 0.28031 1.00000
Sn5 Sn 0.47483 0.53845 0.26948 1.00000
Se1 Se 0.61283 0.34941 0.87653 1.00000
Se2 Se 0.38145 0.32556 0.78038 1.00000
Se3 Se 0.66632 0.61056 0.50529 1.00000
Se4 Se 0.98112 0.45386 0.77141 1.00000
Se5 Se 0.54614 0.01888 0.22859 1.00000
Se6 Se 0.25574 0.74426 0.50000 1.00000
Se7 Se 0.23576 0.74409 0.79376 1.00000
Se8 Se 0.84870 0.88237 0.48793 1.00000
Se9 Se 0.12683 0.15980 0.21808 1.00000
Se10 Se 0.84020 0.87317 0.78192 1.00000
Se11 Se 0.11763 0.15130 0.51207 1.00000
Se12 Se 0.22086 0.48736 0.16202 1.00000
Se13 Se 0.51264 0.77914 0.83798 1.00000
Se14 Se 0.65059 0.38717 0.12347 1.00000
Se15 Se 0.67444 0.61855 0.21962 1.00000
Se16 Se 0.38944 0.33368 0.49471 1.00000
Se17 Se 0.25591 0.76424 0.20624 1.00000
