Rb2Pd3Se2
Alexandria ALEXAlex-ID: agm005291046 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_1609_spg70
Rb2PdSe2 Pd
2023-05-12 07:21:04.278238
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005291046).
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 agm005291046
data_agm005291046
_cell_length_a 14.73746
_cell_length_b 13.09175
_cell_length_c 8.84705
_cell_angle_alpha 81.94196
_cell_angle_beta 61.58937
_cell_angle_gamma 36.46866
_cell_volume 790.62252
_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 0.37873 0.62022 0.87558 1.00000
Rb2 Rb 0.62022 0.37873 0.12547 1.00000
Rb3 Rb 0.87558 0.12547 0.37873 1.00000
Rb4 Rb 0.87127 0.62978 0.37442 1.00000
Rb5 Rb 0.12547 0.87558 0.62022 1.00000
Rb6 Rb 0.62978 0.87127 0.12453 1.00000
Rb7 Rb 0.37442 0.12453 0.87127 1.00000
Rb8 Rb 0.12453 0.37442 0.62978 1.00000
Pd1 Pd 0.12500 0.12500 0.12500 1.00000
Pd2 Pd 0.12500 0.12500 0.62500 1.00000
Pd3 Pd 0.12500 0.62500 0.12500 1.00000
Pd4 Pd 0.62500 0.12500 0.12500 1.00000
Pd5 Pd 0.43056 0.31988 0.74710 1.00000
Pd6 Pd 0.31988 0.43056 0.50246 1.00000
Pd7 Pd 0.74710 0.50246 0.43056 1.00000
Pd8 Pd 0.81944 0.93012 0.50290 1.00000
Pd9 Pd 0.50246 0.74710 0.31988 1.00000
Pd10 Pd 0.93012 0.81944 0.74754 1.00000
Pd11 Pd 0.50290 0.74754 0.81944 1.00000
Pd12 Pd 0.74754 0.50290 0.93012 1.00000
Se1 Se 0.35267 0.83969 0.17074 1.00000
Se2 Se 0.83969 0.35267 0.63690 1.00000
Se3 Se 0.17074 0.63690 0.35267 1.00000
Se4 Se 0.89733 0.41031 0.07926 1.00000
Se5 Se 0.63690 0.17074 0.83969 1.00000
Se6 Se 0.41031 0.89733 0.61310 1.00000
Se7 Se 0.07926 0.61310 0.89733 1.00000
Se8 Se 0.61310 0.07926 0.41031 1.00000
