NaAg2SbSe4
Alexandria ALEXAlex-ID: agm004774155 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_409_spg121
AgSe2 Ag2Se NaSbSe2
2023-01-26 22:43:33.143766
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004774155).
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
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# CIF generated by HEAS from Alexandria entry agm004774155
data_agm004774155
_cell_length_a 6.13805
_cell_length_b 6.13823
_cell_length_c 7.69680
_cell_angle_alpha 113.49843
_cell_angle_beta 113.50050
_cell_angle_gamma 90.00046
_cell_volume 239.48519
_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 0.98585 0.48579 0.97176 1.00000
Ag1 Ag 0.48589 0.98598 0.97175 1.00000
Ag2 Ag 0.23588 0.23585 0.47170 1.00000
Sb1 Sb 0.73586 0.73587 0.47178 1.00000
Se1 Se 0.59879 0.62657 0.70478 1.00000
Se2 Se 0.84523 0.36585 0.23883 1.00000
Se3 Se 0.39361 0.87299 0.23878 1.00000
Se4 Se 0.10592 0.07815 0.70471 1.00000
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