Cd4Sb2Cl3
Alexandria ALEXAlex-ID: agm005657654 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_738_spg15
CdSb Cd CdCl2
2023-06-26 21:09:33.754593
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657654).
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 agm005657654
data_agm005657654
_cell_length_a 6.90892
_cell_length_b 9.78770
_cell_length_c 9.78770
_cell_angle_alpha 84.69122
_cell_angle_beta 99.00061
_cell_angle_gamma 99.00061
_cell_volume 644.09615
_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 0.61865 0.19587 0.02367 1.00000
Cd2 Cd 0.88135 0.97633 0.80413 1.00000
Cd3 Cd 0.38135 0.80413 0.97633 1.00000
Cd4 Cd 0.11865 0.02367 0.19587 1.00000
Cd5 Cd 0.92973 0.35782 0.34665 1.00000
Cd6 Cd 0.57027 0.65335 0.64218 1.00000
Cd7 Cd 0.07027 0.64218 0.65335 1.00000
Cd8 Cd 0.42973 0.34665 0.35782 1.00000
Sb1 Sb 0.63269 0.44481 0.13093 1.00000
Sb2 Sb 0.86731 0.86907 0.55519 1.00000
Sb3 Sb 0.36731 0.55519 0.86907 1.00000
Sb4 Sb 0.13269 0.13093 0.44481 1.00000
Cl1 Cl 0.00329 0.18023 0.95906 1.00000
Cl2 Cl 0.49671 0.04094 0.81977 1.00000
Cl3 Cl 0.99671 0.81977 0.04094 1.00000
Cl4 Cl 0.50329 0.95906 0.18023 1.00000
Cl5 Cl 0.75000 0.42628 0.57372 1.00000
Cl6 Cl 0.25000 0.57372 0.42628 1.00000
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