Rb2Y3Cu5Se8
Alexandria ALEXAlex-ID: agm009490002 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5D8_1_spg8
Rb2Y4Cu4Se9 Rb(CuSe)3 RbY2CuSe4 Cu
2024-04-07 00:30:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009490002).
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 agm009490002
data_agm009490002
_cell_length_a 7.54519
_cell_length_b 7.54519
_cell_length_c 15.28997
_cell_angle_alpha 70.05683
_cell_angle_beta 70.05683
_cell_angle_gamma 31.90787
_cell_volume 430.16067
_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 0.01449 0.01449 0.99994 1.00000
Rb2 Rb 0.35687 0.35687 0.41896 1.00000
Y1 Y 0.03296 0.03296 0.59183 1.00000
Y2 Y 0.33449 0.33449 0.81991 1.00000
Y3 Y 0.20083 0.20083 0.21274 1.00000
Cu1 Cu 0.72847 0.72847 0.04006 1.00000
Cu2 Cu 0.64834 0.64834 0.40018 1.00000
Cu3 Cu 0.98595 0.98595 0.22899 1.00000
Cu4 Cu 0.78101 0.78101 0.67133 1.00000
Cu5 Cu 0.58713 0.58713 0.74083 1.00000
Se1 Se 0.57209 0.57209 0.16949 1.00000
Se2 Se 0.31695 0.31695 0.01386 1.00000
Se3 Se 0.69235 0.69235 0.84276 1.00000
Se4 Se 0.80930 0.80930 0.26053 1.00000
Se5 Se 0.05702 0.05702 0.39679 1.00000
Se6 Se 0.67549 0.67549 0.56553 1.00000
Se7 Se 0.38201 0.38201 0.62319 1.00000
Se8 Se 0.98617 0.98617 0.78959 1.00000
Get direct link