Cs2P2Pd3
Alexandria ALEXAlex-ID: agm005552425 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_124_spg14
Cs2PPd Cs2P2Pd PPd3
2023-06-09 16:16:05.478466
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005552425).
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 agm005552425
data_agm005552425
_cell_length_a 7.06883
_cell_length_b 8.48219
_cell_length_c 7.01897
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.41116
_cell_volume 362.94908
_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 0.73513 0.92426 0.61002 1.00000
Cs2 Cs 0.23513 0.42426 0.88998 1.00000
Cs3 Cs 0.76487 0.57574 0.11002 1.00000
Cs4 Cs 0.26487 0.07574 0.38998 1.00000
P1 P 0.27434 0.60822 0.36680 1.00000
P2 P 0.22566 0.89178 0.86680 1.00000
P3 P 0.77434 0.10822 0.13320 1.00000
P4 P 0.72566 0.39178 0.63320 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Pd2 Pd 0.00000 0.00000 0.00000 1.00000
Pd3 Pd 0.41774 0.84827 0.12492 1.00000
Pd4 Pd 0.08226 0.65173 0.62492 1.00000
Pd5 Pd 0.91774 0.34827 0.37508 1.00000
Pd6 Pd 0.58226 0.15173 0.87508 1.00000
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