CsAsPd
Alexandria ALEXAlex-ID: agm014371982 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7384_spg1
Cs2As2Pd CsAsPd2
2024-07-15 00:24:23.439019
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014371982).
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 agm014371982
data_agm014371982
_cell_length_a 7.26380
_cell_length_b 7.26380
_cell_length_c 6.96820
_cell_angle_alpha 73.75600
_cell_angle_beta 73.75600
_cell_angle_gamma 35.81260
_cell_volume 205.62658
_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 0.89939 0.89939 0.30366 1.00000
Cs2 Cs 0.10061 0.10061 0.69634 1.00000
As1 As 0.63485 0.63485 0.17109 1.00000
As2 As 0.36515 0.36515 0.82891 1.00000
Pd1 Pd 0.20805 0.20805 0.11512 1.00000
Pd2 Pd 0.79195 0.79195 0.88488 1.00000
