AlSnSe2
Alexandria ALEXAlex-ID: agm002135366 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_164_spg15
Al2Se3 SnSe Sn
2017-04-26 21:28:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002135366).
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 agm002135366
data_agm002135366
_cell_length_a 7.58955
_cell_length_b 7.58955
_cell_length_c 16.59831
_cell_angle_alpha 92.18696
_cell_angle_beta 92.18406
_cell_angle_gamma 96.87973
_cell_volume 947.63108
_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
Sn1 Sn 0.58228 0.75297 0.62876 1.00000
Sn2 Sn 0.24692 0.41762 0.87122 1.00000
Sn3 Sn 0.41772 0.24703 0.37124 1.00000
Sn4 Sn 0.75308 0.58238 0.12878 1.00000
Sn5 Sn 0.35807 0.81744 0.92469 1.00000
Sn6 Sn 0.18246 0.64182 0.57529 1.00000
Sn7 Sn 0.64193 0.18256 0.07531 1.00000
Sn8 Sn 0.81754 0.35818 0.42471 1.00000
Se1 Se 0.71791 0.20817 0.57823 1.00000
Se2 Se 0.79178 0.28205 0.92175 1.00000
Se3 Se 0.28209 0.79183 0.42177 1.00000
Se4 Se 0.20822 0.71795 0.07825 1.00000
Se5 Se 0.47005 0.97950 0.75032 1.00000
Se6 Se 0.02045 0.52985 0.74967 1.00000
Se7 Se 0.52995 0.02050 0.24968 1.00000
Se8 Se 0.97955 0.47015 0.25033 1.00000
Se9 Se 0.50006 0.49986 0.75000 1.00000
Se10 Se 0.49994 0.50014 0.25000 1.00000
Se11 Se 0.00349 0.99642 0.74999 1.00000
Se12 Se 0.99651 0.00358 0.25001 1.00000
Se13 Se 0.73462 0.78123 0.92338 1.00000
Se14 Se 0.21871 0.26528 0.57661 1.00000
Se15 Se 0.26538 0.21877 0.07662 1.00000
Se16 Se 0.78129 0.73472 0.42339 1.00000
Al1 Al 0.47445 0.23291 0.66418 1.00000
Al2 Al 0.76703 0.52551 0.83580 1.00000
Al3 Al 0.52555 0.76709 0.33582 1.00000
Al4 Al 0.23297 0.47449 0.16420 1.00000
Al5 Al 0.75627 0.02272 0.82877 1.00000
Al6 Al 0.97721 0.24364 0.67121 1.00000
Al7 Al 0.24373 0.97728 0.17123 1.00000
Al8 Al 0.02279 0.75636 0.32879 1.00000
