In2AgSe3I
Alexandria ALEXAlex-ID: agm005243136 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D3_80_spg8
InSeI InAgSe2
2023-04-21 00:02:12.936636
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005243136).
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 agm005243136
data_agm005243136
_cell_length_a 7.41096
_cell_length_b 7.41096
_cell_length_c 7.67643
_cell_angle_alpha 80.79251
_cell_angle_beta 80.79251
_cell_angle_gamma 33.07337
_cell_volume 226.84855
_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
In1 In 0.56583 0.56583 0.82750 1.00000
In2 In 0.81020 0.81020 0.05953 1.00000
Ag1 Ag 0.30604 0.30604 0.53824 1.00000
Se1 Se 0.00191 0.00191 0.02630 1.00000
Se2 Se 0.24038 0.24038 0.23893 1.00000
Se3 Se 0.75181 0.75181 0.74952 1.00000
I1 I 0.51133 0.51133 0.49748 1.00000
Get direct link