CsZnCuSe2
Alexandria ALEXAlex-ID: agm040461818 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_3_spg107
CsCu3Se2 Cs2Zn3Se4
2025-04-16 00:29:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040461818).
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 agm040461818
data_agm040461818
_cell_length_a 4.14989
_cell_length_b 4.14989
_cell_length_c 8.01915
_cell_angle_alpha 75.39772
_cell_angle_beta 104.60228
_cell_angle_gamma 90.10579
_cell_volume 129.04367
_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 0.99724 0.99724 0.50000 1.00000
Zn1 Zn 0.24272 0.24272 0.00000 1.00000
Cu1 Cu 0.76187 0.76187 0.00000 1.00000
Se1 Se 0.64439 0.35111 0.80374 1.00000
Se2 Se 0.35111 0.64439 0.19626 1.00000
