Na2TeSe3
Alexandria ALEXAlex-ID: agm003232136 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_301_spg15
Na2TeSe3
2021-12-20 13:49:23.901039
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003232136).
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 agm003232136
data_agm003232136
_cell_length_a 11.40672
_cell_length_b 11.40672
_cell_length_c 12.18021
_cell_angle_alpha 60.28941
_cell_angle_beta 60.28941
_cell_angle_gamma 30.88959
_cell_volume 697.82043
_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 0.25772 0.23822 0.12467 1.00000
Na2 Na 0.53567 0.60611 0.80997 1.00000
Na3 Na 0.23822 0.25772 0.62467 1.00000
Na4 Na 0.76178 0.74228 0.37533 1.00000
Na5 Na 0.39389 0.46433 0.69003 1.00000
Na6 Na 0.74228 0.76178 0.87533 1.00000
Na7 Na 0.60611 0.53567 0.30997 1.00000
Na8 Na 0.46433 0.39389 0.19003 1.00000
Te1 Te 0.05346 0.15863 0.99159 1.00000
Te2 Te 0.94654 0.84137 0.00841 1.00000
Te3 Te 0.84137 0.94654 0.50841 1.00000
Te4 Te 0.15863 0.05346 0.49159 1.00000
Se1 Se 0.24820 0.23060 0.38379 1.00000
Se2 Se 0.62603 0.55374 0.04231 1.00000
Se3 Se 0.75180 0.76940 0.61621 1.00000
Se4 Se 0.37397 0.44626 0.95769 1.00000
Se5 Se 0.94984 0.88032 0.19457 1.00000
Se6 Se 0.23060 0.24820 0.88379 1.00000
Se7 Se 0.55374 0.62603 0.54231 1.00000
Se8 Se 0.44626 0.37397 0.45769 1.00000
Se9 Se 0.88032 0.94984 0.69457 1.00000
Se10 Se 0.76940 0.75180 0.11621 1.00000
Se11 Se 0.05016 0.11968 0.80543 1.00000
Se12 Se 0.11968 0.05016 0.30543 1.00000
