AlZn4Cu10(SnSe4)5
Alexandria ALEXAlex-ID: agm011073441 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5D10E20_0_spg5
AlZn2CuSe4 Cu3SnSe4 ZnSe SnSe
2025-02-22 16:56:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011073441).
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 agm011073441
data_agm011073441
_cell_length_a 7.05760
_cell_length_b 7.05760
_cell_length_c 25.85315
_cell_angle_alpha 89.72428
_cell_angle_beta 90.27572
_cell_angle_gamma 131.58533
_cell_volume 963.17320
_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
Al1 Al 0.00416 0.00416 0.50000 1.00000
Zn1 Zn 0.79760 0.19926 0.70180 1.00000
Zn2 Zn 0.59923 0.39877 0.90065 1.00000
Zn3 Zn 0.39877 0.59923 0.09935 1.00000
Zn4 Zn 0.19926 0.79760 0.29820 1.00000
Cu1 Cu 0.70595 0.30681 0.55019 1.00000
Cu2 Cu 0.30042 0.70031 0.94996 1.00000
Cu3 Cu 0.49916 0.49976 0.75084 1.00000
Cu4 Cu 0.89564 0.09380 0.34949 1.00000
Cu5 Cu 0.09888 0.90008 0.14966 1.00000
Cu6 Cu 0.30681 0.70595 0.44981 1.00000
Cu7 Cu 0.90008 0.09888 0.85034 1.00000
Cu8 Cu 0.09380 0.89564 0.65051 1.00000
Cu9 Cu 0.49976 0.49916 0.24916 1.00000
Cu10 Cu 0.70031 0.30042 0.05004 1.00000
Sn1 Sn 0.60299 0.39919 0.39829 1.00000
Sn2 Sn 0.19839 0.80009 0.80034 1.00000
Sn3 Sn 0.39919 0.60299 0.60171 1.00000
Sn4 Sn 0.80009 0.19839 0.19966 1.00000
Sn5 Sn 0.99972 0.99972 0.00000 1.00000
Se1 Se 0.49568 0.97079 0.37363 1.00000
Se2 Se 0.29421 0.17010 0.57339 1.00000
Se3 Se 0.10075 0.38107 0.77593 1.00000
Se4 Se 0.90165 0.58125 0.97545 1.00000
Se5 Se 0.69951 0.77900 0.17451 1.00000
Se6 Se 0.92759 0.62013 0.48064 1.00000
Se7 Se 0.71828 0.80607 0.68106 1.00000
Se8 Se 0.51550 0.00285 0.87891 1.00000
Se9 Se 0.31530 0.20238 0.07868 1.00000
Se10 Se 0.11602 0.40114 0.27899 1.00000
Se11 Se 0.62013 0.92759 0.51936 1.00000
Se12 Se 0.40114 0.11602 0.72101 1.00000
Se13 Se 0.20238 0.31530 0.92132 1.00000
Se14 Se 0.00285 0.51550 0.12109 1.00000
Se15 Se 0.80607 0.71828 0.31894 1.00000
Se16 Se 0.97079 0.49568 0.62637 1.00000
Se17 Se 0.77900 0.69951 0.82549 1.00000
Se18 Se 0.58125 0.90165 0.02455 1.00000
Se19 Se 0.38107 0.10075 0.22407 1.00000
Se20 Se 0.17010 0.29421 0.42661 1.00000
