CdPb4Se5
Alexandria ALEXAlex-ID: agm006089232 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_27_spg166
PbSe CdSe
2023-10-18 02:34:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089232).
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 agm006089232
data_agm006089232
_cell_length_a 4.32172
_cell_length_b 4.32172
_cell_length_c 17.81712
_cell_angle_alpha 83.03402
_cell_angle_beta 83.03402
_cell_angle_gamma 60.00000
_cell_volume 285.35134
_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 0.50000 0.50000 0.50000 1.00000
Pb1 Pb 0.89687 0.89687 0.30940 1.00000
Pb2 Pb 0.29894 0.29894 0.10319 1.00000
Pb3 Pb 0.70106 0.70106 0.89681 1.00000
Pb4 Pb 0.10313 0.10313 0.69060 1.00000
Se1 Se 0.40213 0.40213 0.79361 1.00000
Se2 Se 0.00000 0.00000 0.00000 1.00000
Se3 Se 0.59787 0.59787 0.20639 1.00000
Se4 Se 0.80475 0.80475 0.58576 1.00000
Se5 Se 0.19525 0.19525 0.41424 1.00000
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