CdSeI
Alexandria ALEXAlex-ID: agm002018686 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_163_spg12
CdSe Se CdI2
2021-11-13 06:07:23.371725
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002018686).
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 agm002018686
data_agm002018686
_cell_length_a 4.32081
_cell_length_b 6.95007
_cell_length_c 7.71681
_cell_angle_alpha 101.73237
_cell_angle_beta 90.03914
_cell_angle_gamma 108.03467
_cell_volume 215.24194
_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 0.94346 0.88580 0.21238 1.00000
Cd2 Cd 0.05654 0.11420 0.78762 1.00000
Se1 Se 0.58580 0.17315 0.59503 1.00000
Se2 Se 0.41420 0.82685 0.40497 1.00000
I1 I 0.84419 0.69234 0.84444 1.00000
I2 I 0.15581 0.30766 0.15556 1.00000
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