Cs2Cd2Se3
Alexandria ALEXAlex-ID: agm003304841 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_257_spg12
Cs2Cd3Se4 Cs2CdSe2
2022-02-03 22:52:13.168679
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003304841).
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
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# CIF generated by HEAS from Alexandria entry agm003304841
data_agm003304841
_cell_length_a 4.51197
_cell_length_b 9.07404
_cell_length_c 8.22284
_cell_angle_alpha 126.07431
_cell_angle_beta 105.92364
_cell_angle_gamma 90.00000
_cell_volume 255.94919
_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
Cs1 Cs 0.43790 0.21611 0.87581 1.00000
Cs2 Cs 0.56210 0.78389 0.12419 1.00000
Cd1 Cd 0.19532 0.31712 0.39064 1.00000
Cd2 Cd 0.80468 0.68288 0.60936 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
Se2 Se 0.18769 0.61671 0.37538 1.00000
Se3 Se 0.81231 0.38329 0.62462 1.00000
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