Rb4P2Pd
Alexandria ALEXAlex-ID: agm006036729 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_153_spg166
Rb2P2Pd Rb
2023-10-14 13:39:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006036729).
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
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# CIF generated by HEAS from Alexandria entry agm006036729
data_agm006036729
_cell_length_a 5.86731
_cell_length_b 5.86731
_cell_length_c 9.75813
_cell_angle_alpha 72.50418
_cell_angle_beta 72.50418
_cell_angle_gamma 60.00004
_cell_volume 272.82903
_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 0.37510 0.37510 0.87469 1.00000
Rb2 Rb 0.21010 0.21010 0.36969 1.00000
Rb3 Rb 0.78990 0.78990 0.63031 1.00000
Rb4 Rb 0.62490 0.62490 0.12531 1.00000
P1 P 0.08311 0.08311 0.75066 1.00000
P2 P 0.91689 0.91689 0.24934 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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