Na2Sn5Se6
Alexandria ALEXAlex-ID: agm005673152 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C6_124_spg15
Na4SnSe4 SnSe Sn
2023-06-20 06:43:13.934965
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673152).
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 agm005673152
data_agm005673152
_cell_length_a 8.06396
_cell_length_b 8.06396
_cell_length_c 14.81221
_cell_angle_alpha 93.67119
_cell_angle_beta 93.67119
_cell_angle_gamma 60.44208
_cell_volume 835.54351
_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
Na1 Na 0.24409 0.18914 0.52550 1.00000
Na2 Na 0.81086 0.75591 0.97450 1.00000
Na3 Na 0.75591 0.81086 0.47450 1.00000
Na4 Na 0.18914 0.24409 0.02550 1.00000
Sn1 Sn 0.71564 0.30915 0.96882 1.00000
Sn2 Sn 0.69085 0.28436 0.53118 1.00000
Sn3 Sn 0.28436 0.69085 0.03118 1.00000
Sn4 Sn 0.30915 0.71564 0.46882 1.00000
Sn5 Sn 0.63930 0.00751 0.72444 1.00000
Sn6 Sn 0.99249 0.36070 0.77556 1.00000
Sn7 Sn 0.36070 0.99249 0.27556 1.00000
Sn8 Sn 0.00751 0.63930 0.22444 1.00000
Sn9 Sn 0.29564 0.70436 0.75000 1.00000
Sn10 Sn 0.70436 0.29564 0.25000 1.00000
Se1 Se 0.92421 0.94750 0.61439 1.00000
Se2 Se 0.05250 0.07579 0.88561 1.00000
Se3 Se 0.07579 0.05250 0.38561 1.00000
Se4 Se 0.94750 0.92421 0.11439 1.00000
Se5 Se 0.40590 0.35636 0.64968 1.00000
Se6 Se 0.64364 0.59410 0.85032 1.00000
Se7 Se 0.59410 0.64364 0.35032 1.00000
Se8 Se 0.35636 0.40590 0.14968 1.00000
Se9 Se 0.49050 0.81488 0.61405 1.00000
Se10 Se 0.18512 0.50950 0.88595 1.00000
Se11 Se 0.50950 0.18512 0.38595 1.00000
Se12 Se 0.81488 0.49050 0.11405 1.00000
