CdSeI
Alexandria ALEXAlex-ID: agm002018682 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_6896_spg1
CdSe Se CdI2
2021-11-13 06:05:32.725928
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002018682).
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 agm002018682
data_agm002018682
_cell_length_a 4.40283
_cell_length_b 7.43081
_cell_length_c 7.98747
_cell_angle_alpha 64.26856
_cell_angle_beta 83.20805
_cell_angle_gamma 87.90889
_cell_volume 233.72544
_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 0.46651 0.74560 0.71476 1.00000
Cd2 Cd 0.02182 0.21618 0.65482 1.00000
Se1 Se 0.51498 0.42646 0.64278 1.00000
Se2 Se 0.91746 0.81679 0.87505 1.00000
I1 I 0.28927 0.07647 0.38336 1.00000
I2 I 0.71189 0.63475 0.24833 1.00000
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