Cs2CuSe8
Alexandria ALEXAlex-ID: agm005964545 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1596_spg12
CsCuSe4 CsSe4
2023-10-14 02:05:37.300111
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005964545).
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 agm005964545
data_agm005964545
_cell_length_a 9.29943
_cell_length_b 12.39882
_cell_length_c 12.39881
_cell_angle_alpha 33.28947
_cell_angle_beta 31.23188
_cell_angle_gamma 31.23186
_cell_volume 353.96662
_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 0.00063 0.31079 0.31079 1.00000
Cs2 Cs 0.99937 0.68921 0.68921 1.00000
Se1 Se 0.74829 0.27227 0.78248 1.00000
Se2 Se 0.25171 0.21752 0.72773 1.00000
Se3 Se 0.01714 0.14436 0.14436 1.00000
Se4 Se 0.98286 0.85564 0.85564 1.00000
Se5 Se 0.74829 0.78248 0.27227 1.00000
Se6 Se 0.25171 0.72773 0.21752 1.00000
Se7 Se 0.44293 0.33984 0.33984 1.00000
Se8 Se 0.55707 0.66016 0.66016 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
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