Cs3Sb3Pd2
Alexandria ALEXAlex-ID: agm009488317 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
Cs2Sb2Pd CsSbPd2
2024-03-07 13:03:49.223529
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009488317).
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 agm009488317
data_agm009488317
_cell_length_a 7.55510
_cell_length_b 7.55510
_cell_length_c 17.48563
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.93864
_cell_volume 587.51646
_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 0.54334 0.45666 0.89298 1.00000
Cs2 Cs 0.45666 0.54334 0.39298 1.00000
Cs3 Cs 0.54334 0.45666 0.60702 1.00000
Cs4 Cs 0.45666 0.54334 0.10702 1.00000
Cs5 Cs 0.87206 0.12795 0.75000 1.00000
Cs6 Cs 0.12795 0.87206 0.25000 1.00000
Sb1 Sb 0.80359 0.19641 0.95476 1.00000
Sb2 Sb 0.19641 0.80359 0.45476 1.00000
Sb3 Sb 0.80359 0.19641 0.54524 1.00000
Sb4 Sb 0.19641 0.80359 0.04524 1.00000
Sb5 Sb 0.17598 0.82402 0.75000 1.00000
Sb6 Sb 0.82402 0.17598 0.25000 1.00000
Pd1 Pd 0.76008 0.23992 0.39565 1.00000
Pd2 Pd 0.23992 0.76008 0.89565 1.00000
Pd3 Pd 0.76008 0.23992 0.10435 1.00000
Pd4 Pd 0.23992 0.76008 0.60435 1.00000
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