Ac3SnSe2
Alexandria ALEXAlex-ID: agm005644544 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_873_spg71
Ac3SnSe2
2023-09-03 04:59:53.406761
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644544).
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 agm005644544
data_agm005644544
_cell_length_a 7.93145
_cell_length_b 7.93145
_cell_length_c 4.65767
_cell_angle_alpha 72.91773
_cell_angle_beta 72.91773
_cell_angle_gamma 48.49240
_cell_volume 207.72260
_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
Ac1 Ac 0.50000 0.50000 0.50000 1.00000
Ac2 Ac 0.17055 0.17055 0.82960 1.00000
Ac3 Ac 0.82945 0.82945 0.17040 1.00000
Sn1 Sn 0.00000 0.00000 0.50000 1.00000
Se1 Se 0.66464 0.66464 0.83526 1.00000
Se2 Se 0.33536 0.33536 0.16474 1.00000
