CdHI2
Alexandria ALEXAlex-ID: agm005653092 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_1625_spg63
Cd(HI)2 CdI2
2023-07-10 02:35:56.454620
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653092).
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 agm005653092
data_agm005653092
_cell_length_a 4.51136
_cell_length_b 6.28229
_cell_length_c 10.00295
_cell_angle_alpha 89.99998
_cell_angle_beta 103.03239
_cell_angle_gamma 90.00000
_cell_volume 276.19821
_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 0.81134 0.25000 0.62267 1.00000
Cd2 Cd 0.18866 0.75000 0.37733 1.00000
H1 H 0.91445 0.25000 0.82889 1.00000
H2 H 0.08555 0.75000 0.17111 1.00000
I1 I 0.20137 0.25000 0.40274 1.00000
I2 I 0.79863 0.75000 0.59726 1.00000
I3 I 0.41776 0.25000 0.83551 1.00000
I4 I 0.58224 0.75000 0.16449 1.00000
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