SnAsSe3
Alexandria ALEXAlex-ID: agm002136458 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_333_spg14
SnSe2 As2Se3 SnSe
2017-04-10 16:59:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002136458).
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 agm002136458
data_agm002136458
_cell_length_a 7.20107
_cell_length_b 7.81621
_cell_length_c 10.18650
_cell_angle_alpha 90.00000
_cell_angle_beta 91.78686
_cell_angle_gamma 90.00000
_cell_volume 573.06866
_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
As1 As 0.94166 0.88767 0.57690 1.00000
As2 As 0.55834 0.38767 0.92310 1.00000
As3 As 0.05834 0.11233 0.42310 1.00000
As4 As 0.44166 0.61233 0.07690 1.00000
Sn1 Sn 0.96223 0.63397 0.20111 1.00000
Sn2 Sn 0.53777 0.13397 0.29889 1.00000
Sn3 Sn 0.03777 0.36603 0.79889 1.00000
Sn4 Sn 0.46223 0.86603 0.70111 1.00000
Se1 Se 0.12089 0.98453 0.21985 1.00000
Se2 Se 0.37911 0.48453 0.28015 1.00000
Se3 Se 0.87911 0.01547 0.78015 1.00000
Se4 Se 0.62089 0.51547 0.71985 1.00000
Se5 Se 0.33042 0.17486 0.92982 1.00000
Se6 Se 0.16958 0.67486 0.57018 1.00000
Se7 Se 0.66958 0.82514 0.07018 1.00000
Se8 Se 0.83042 0.32514 0.42982 1.00000
Se9 Se 0.83565 0.29007 0.03240 1.00000
Se10 Se 0.66435 0.79007 0.46760 1.00000
Se11 Se 0.16435 0.70993 0.96760 1.00000
Se12 Se 0.33565 0.20993 0.53240 1.00000
