Cd4Cl3O2
Alexandria ALEXAlex-ID: agm005646683 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_532_spg12
Cd3(ClO)2 CdCl2 Cd
2023-06-27 20:07:36.938689
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646683).
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 agm005646683
data_agm005646683
_cell_length_a 4.07438
_cell_length_b 6.99763
_cell_length_c 9.75430
_cell_angle_alpha 122.05549
_cell_angle_beta 90.00000
_cell_angle_gamma 106.92536
_cell_volume 221.36194
_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 0.69432 0.38863 0.12167 1.00000
Cd2 Cd 0.30568 0.61137 0.87833 1.00000
Cd3 Cd 0.85525 0.71049 0.62531 1.00000
Cd4 Cd 0.14475 0.28951 0.37469 1.00000
Cl1 Cl 0.64611 0.29223 0.82352 1.00000
Cl2 Cl 0.00000 0.00000 0.00000 1.00000
Cl3 Cl 0.35389 0.70777 0.17648 1.00000
O1 O 0.70078 0.40156 0.34694 1.00000
O2 O 0.29922 0.59844 0.65306 1.00000
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