Cd3Se2
Alexandria ALEXAlex-ID: agm005505970 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_10_spg43
CdSe Cd
2023-03-20 12:58:05.106907
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505970).
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 agm005505970
data_agm005505970
_cell_length_a 8.86687
_cell_length_b 7.25058
_cell_length_c 6.78548
_cell_angle_alpha 78.27706
_cell_angle_beta 53.19314
_cell_angle_gamma 48.52980
_cell_volume 247.71672
_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 0.77810 0.42459 0.31817 1.00000
Cd2 Cd 0.47914 0.31817 0.42459 1.00000
Cd3 Cd 0.82541 0.47190 0.77086 1.00000
Cd4 Cd 0.93183 0.77086 0.47190 1.00000
Cd5 Cd 0.05207 0.94793 0.94793 1.00000
Cd6 Cd 0.30207 0.19793 0.19793 1.00000
Se1 Se 0.19253 0.83992 0.46938 1.00000
Se2 Se 0.49817 0.46938 0.83992 1.00000
Se3 Se 0.41008 0.05747 0.75183 1.00000
Se4 Se 0.78062 0.75183 0.05747 1.00000
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