Cs2Cu(AsPd)2
Alexandria ALEXAlex-ID: agm017182095 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_13_spg12
CsAsPd2 Cs2As2Pd Cu2Pd
2025-03-18 11:21:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017182095).
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 agm017182095
data_agm017182095
_cell_length_a 6.74133
_cell_length_b 6.74133
_cell_length_c 9.06865
_cell_angle_alpha 58.53369
_cell_angle_beta 121.46631
_cell_angle_gamma 140.08153
_cell_volume 219.93061
_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 0.55963 0.44037 0.82636 1.00000
Cs2 Cs 0.44037 0.55963 0.17364 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
As1 As 0.22195 0.77805 0.66239 1.00000
As2 As 0.77805 0.22195 0.33761 1.00000
Pd1 Pd 0.24420 0.75580 0.40406 1.00000
Pd2 Pd 0.75580 0.24420 0.59594 1.00000
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