CdSeI
Alexandria ALEXAlex-ID: agm002018677 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_6895_spg1
CdSe Se CdI2
2021-11-13 06:04:58.623400
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002018677).
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 agm002018677
data_agm002018677
_cell_length_a 4.33897
_cell_length_b 6.55338
_cell_length_c 7.90015
_cell_angle_alpha 77.61554
_cell_angle_beta 86.84507
_cell_angle_gamma 74.34551
_cell_volume 211.27308
_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 0.85804 0.80207 0.94495 1.00000
Cd2 Cd 0.23147 0.16103 0.60559 1.00000
Se1 Se 0.83504 0.92213 0.60381 1.00000
Se2 Se 0.31852 0.85289 0.14224 1.00000
I1 I 0.53284 0.45650 0.34576 1.00000
I2 I 0.10782 0.32447 0.92231 1.00000
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