Rb3PPd2
Alexandria ALEXAlex-ID: agm005676601 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2891_spg14
Rb3P2Pd7 Rb2P2Pd3 Rb
2023-08-24 17:00:33.241588
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676601).
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 agm005676601
data_agm005676601
_cell_length_a 9.59167
_cell_length_b 7.83065
_cell_length_c 13.28757
_cell_angle_alpha 89.99999
_cell_angle_beta 118.50291
_cell_angle_gamma 90.00000
_cell_volume 877.04942
_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 0.27299 0.87730 0.97021 1.00000
Rb2 Rb 0.22701 0.37730 0.52979 1.00000
Rb3 Rb 0.72701 0.12270 0.02979 1.00000
Rb4 Rb 0.77299 0.62270 0.47021 1.00000
Rb5 Rb 0.49273 0.43361 0.16028 1.00000
Rb6 Rb 0.00727 0.93361 0.33972 1.00000
Rb7 Rb 0.50727 0.56639 0.83972 1.00000
Rb8 Rb 0.99273 0.06639 0.66028 1.00000
Rb9 Rb 0.96455 0.70146 0.06116 1.00000
Rb10 Rb 0.53545 0.20146 0.43884 1.00000
Rb11 Rb 0.03545 0.29854 0.93884 1.00000
Rb12 Rb 0.46455 0.79854 0.56116 1.00000
P1 P 0.36961 0.81824 0.26106 1.00000
P2 P 0.13039 0.31824 0.23894 1.00000
P3 P 0.63039 0.18176 0.73894 1.00000
P4 P 0.86961 0.68176 0.76106 1.00000
Pd1 Pd 0.58269 0.91813 0.25187 1.00000
Pd2 Pd 0.91731 0.41813 0.24813 1.00000
Pd3 Pd 0.41731 0.08187 0.74813 1.00000
Pd4 Pd 0.08269 0.58187 0.75187 1.00000
Pd5 Pd 0.28659 0.55902 0.29290 1.00000
Pd6 Pd 0.21341 0.05902 0.20710 1.00000
Pd7 Pd 0.71341 0.44098 0.70710 1.00000
Pd8 Pd 0.78659 0.94098 0.79290 1.00000
