Cs2Rb5Pd
Alexandria ALEXAlex-ID: agm006020107 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_1435_spg8
Cs Rb Cs2Pd3
2023-09-04 02:24:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006020107).
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 agm006020107
data_agm006020107
_cell_length_a 8.86232
_cell_length_b 8.86246
_cell_length_c 11.61831
_cell_angle_alpha 49.97844
_cell_angle_beta 74.32991
_cell_angle_gamma 78.63162
_cell_volume 672.50102
_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
Cs1 Cs 0.23528 0.50452 0.61260 1.00000
Cs2 Cs 0.88290 0.15214 0.61258 1.00000
Rb1 Rb 0.69583 0.80691 0.14517 1.00000
Rb2 Rb 0.68275 0.50378 0.81346 1.00000
Rb3 Rb 0.23696 0.79070 0.97234 1.00000
Rb4 Rb 0.04793 0.15899 0.14516 1.00000
Rb5 Rb 0.47739 0.14751 0.37511 1.00000
Pd1 Pd 0.96396 0.15845 0.87759 1.00000
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