Rb3CrSe3
Alexandria ALEXAlex-ID: agm014668459 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_627_spg14
Rb4CrSe4 Cr
2024-12-08 09:09:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014668459).
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 agm014668459
data_agm014668459
_cell_length_a 8.33569
_cell_length_b 13.60670
_cell_length_c 11.16810
_cell_angle_alpha 90.00000
_cell_angle_beta 127.57939
_cell_angle_gamma 90.00000
_cell_volume 1003.87139
_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 0.15227 0.06608 0.89702 1.00000
Rb2 Rb 0.84773 0.56608 0.60298 1.00000
Rb3 Rb 0.84773 0.93392 0.10298 1.00000
Rb4 Rb 0.15227 0.43392 0.39702 1.00000
Rb5 Rb 0.11096 0.36637 0.97275 1.00000
Rb6 Rb 0.88904 0.86637 0.52725 1.00000
Rb7 Rb 0.88904 0.63363 0.02725 1.00000
Rb8 Rb 0.11096 0.13363 0.47275 1.00000
Rb9 Rb 0.62524 0.19693 0.89847 1.00000
Rb10 Rb 0.37476 0.69693 0.60153 1.00000
Rb11 Rb 0.37476 0.80307 0.10153 1.00000
Rb12 Rb 0.62524 0.30307 0.39847 1.00000
Cr1 Cr 0.43646 0.44877 0.84933 1.00000
Cr2 Cr 0.56354 0.94877 0.65067 1.00000
Cr3 Cr 0.56354 0.55123 0.15067 1.00000
Cr4 Cr 0.43646 0.05123 0.34933 1.00000
Se1 Se 0.35233 0.89009 0.38908 1.00000
Se2 Se 0.64767 0.39009 0.11092 1.00000
Se3 Se 0.64767 0.10991 0.61092 1.00000
Se4 Se 0.35233 0.60991 0.88908 1.00000
Se5 Se 0.38387 0.95491 0.75572 1.00000
Se6 Se 0.61613 0.45491 0.74428 1.00000
Se7 Se 0.61613 0.04509 0.24428 1.00000
Se8 Se 0.38387 0.54509 0.25572 1.00000
Se9 Se 0.15552 0.33804 0.68764 1.00000
Se10 Se 0.84448 0.83804 0.81236 1.00000
Se11 Se 0.84448 0.66196 0.31236 1.00000
Se12 Se 0.15552 0.16196 0.18764 1.00000
