CsAgTeIrSe
Alexandria ALEXAlex-ID: agm002018346 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCDE_573_spg8
CsAgSe Te2Ir Ir
2021-11-13 06:00:56.386229
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002018346).
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 agm002018346
data_agm002018346
_cell_length_a 4.35156
_cell_length_b 6.51216
_cell_length_c 7.06430
_cell_angle_alpha 110.73698
_cell_angle_beta 105.91671
_cell_angle_gamma 101.61808
_cell_volume 169.83641
_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
Cs1 Cs 0.90634 0.56742 0.00302 1.00000
Ag1 Ag 0.94913 0.13057 0.46222 1.00000
Te1 Te 0.45905 0.32404 0.34439 1.00000
Ir1 Ir 0.68586 0.76402 0.54766 1.00000
Se1 Se 0.28164 0.90645 0.66170 1.00000
