Rb5TeSe6
Alexandria ALEXAlex-ID: agm003676501 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
Rb2Se3 Rb2TeSe2 RbSe
2022-04-10 03:03:48.501989
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676501).
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 agm003676501
data_agm003676501
_cell_length_a 8.21846
_cell_length_b 8.50410
_cell_length_c 8.40316
_cell_angle_alpha 59.60183
_cell_angle_beta 79.45589
_cell_angle_gamma 68.79902
_cell_volume 472.27980
_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 0.50000 0.17163 0.65673 1.00000
Rb2 Rb 0.00000 0.33419 0.33163 1.00000
Rb3 Rb 0.50000 0.50000 0.00000 1.00000
Rb4 Rb 1.00000 0.66581 0.66837 1.00000
Rb5 Rb 0.50000 0.82837 0.34327 1.00000
Te1 Te 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.79446 0.06702 0.26685 1.00000
Se2 Se 0.20554 0.66613 0.26685 1.00000
Se3 Se 0.20005 0.18985 0.00000 1.00000
Se4 Se 0.79995 0.81015 1.00000 1.00000
Se5 Se 0.79446 0.33387 0.73315 1.00000
Se6 Se 0.20554 0.93298 0.73315 1.00000
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