CdSbPd2
Alexandria ALEXAlex-ID: agm005642157 · Space group: Pbcm (#57)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_883_spg14
SbPd CdPd
2023-07-13 07:24:22.061075
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642157).
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 agm005642157
data_agm005642157
_cell_length_a 5.71389
_cell_length_b 7.23193
_cell_length_c 16.06762
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 663.95339
_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
Cd1 Cd 0.25014 0.08737 0.69274 1.00000
Cd2 Cd 0.75014 0.91263 0.80726 1.00000
Cd3 Cd 0.24986 0.58737 0.30726 1.00000
Cd4 Cd 0.74986 0.41263 0.19274 1.00000
Cd5 Cd 0.74986 0.91263 0.30726 1.00000
Cd6 Cd 0.24986 0.08737 0.19274 1.00000
Cd7 Cd 0.75014 0.41263 0.69274 1.00000
Cd8 Cd 0.25014 0.58737 0.80726 1.00000
Sb1 Sb 0.25023 0.06708 0.93681 1.00000
Sb2 Sb 0.25023 0.56708 0.56319 1.00000
Sb3 Sb 0.75023 0.43292 0.93681 1.00000
Sb4 Sb 0.24977 0.06708 0.43681 1.00000
Sb5 Sb 0.74977 0.93292 0.06319 1.00000
Sb6 Sb 0.74977 0.43292 0.43681 1.00000
Sb7 Sb 0.24977 0.56708 0.06319 1.00000
Sb8 Sb 0.75023 0.93292 0.56319 1.00000
Pd1 Pd 0.00016 0.24992 0.82394 1.00000
Pd2 Pd 0.49984 0.74992 0.17606 1.00000
Pd3 Pd 0.50016 0.75008 0.67606 1.00000
Pd4 Pd 0.00001 0.25019 0.55694 1.00000
Pd5 Pd 0.00016 0.74992 0.67606 1.00000
Pd6 Pd 0.50016 0.25008 0.82394 1.00000
Pd7 Pd 0.49984 0.24992 0.32394 1.00000
Pd8 Pd 0.99984 0.75008 0.17606 1.00000
Pd9 Pd 0.99999 0.74981 0.44306 1.00000
Pd10 Pd 0.00001 0.75019 0.94306 1.00000
Pd11 Pd 0.50001 0.24981 0.55694 1.00000
Pd12 Pd 0.49999 0.25019 0.05694 1.00000
Pd13 Pd 0.50001 0.74981 0.94306 1.00000
Pd14 Pd 0.99999 0.24981 0.05694 1.00000
Pd15 Pd 0.49999 0.75019 0.44306 1.00000
Pd16 Pd 0.99984 0.25008 0.32394 1.00000
