Cs2As4Pd3
Alexandria ALEXAlex-ID: agm005684093 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_708_spg14
Cs3As7 Cs2As3 Cs(AsPd)2
2023-06-26 18:32:27.706236
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684093).
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 agm005684093
data_agm005684093
_cell_length_a 4.83613
_cell_length_b 7.29456
_cell_length_c 15.65863
_cell_angle_alpha 89.99998
_cell_angle_beta 90.00002
_cell_angle_gamma 100.28534
_cell_volume 543.51996
_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 0.52354 0.17820 0.37856 1.00000
Cs2 Cs 0.97646 0.82180 0.87856 1.00000
Cs3 Cs 0.47646 0.82180 0.62144 1.00000
Cs4 Cs 0.02354 0.17820 0.12144 1.00000
As1 As 0.08179 0.20018 0.56797 1.00000
As2 As 0.41821 0.79982 0.06797 1.00000
As3 As 0.91821 0.79982 0.43203 1.00000
As4 As 0.58179 0.20018 0.93203 1.00000
As5 As 0.69991 0.60969 0.14168 1.00000
As6 As 0.80009 0.39031 0.64168 1.00000
As7 As 0.30009 0.39031 0.85832 1.00000
As8 As 0.19992 0.60969 0.35832 1.00000
Pd1 Pd 0.00000 0.50000 0.50000 1.00000
Pd2 Pd 0.50000 0.50000 0.00000 1.00000
Pd3 Pd 0.82217 0.34098 0.79892 1.00000
Pd4 Pd 0.67783 0.65902 0.29892 1.00000
Pd5 Pd 0.17783 0.65902 0.20108 1.00000
Pd6 Pd 0.32217 0.34098 0.70108 1.00000
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