Cs3V2Ag3Se8
Alexandria ALEXAlex-ID: agm009304166 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3D8_2_spg15
Cs3V2Ag3Se8
2025-01-30 15:36:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009304166).
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 agm009304166
data_agm009304166
_cell_length_a 13.42466
_cell_length_b 13.42466
_cell_length_c 15.66090
_cell_angle_alpha 62.80481
_cell_angle_beta 117.19519
_cell_angle_gamma 153.74117
_cell_volume 1102.67422
_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 0.36988 0.75974 0.90021 1.00000
Cs2 Cs 0.63012 0.24026 0.09979 1.00000
Cs3 Cs 0.24026 0.63012 0.40021 1.00000
Cs4 Cs 0.00000 0.00000 0.00000 1.00000
Cs5 Cs 0.75974 0.36988 0.59979 1.00000
Cs6 Cs 0.00000 0.00000 0.50000 1.00000
V1 V 0.82618 0.57953 0.27598 1.00000
V2 V 0.17382 0.42047 0.72402 1.00000
V3 V 0.42047 0.17382 0.77598 1.00000
V4 V 0.57953 0.82618 0.22402 1.00000
Ag1 Ag 0.70632 0.70632 0.25000 1.00000
Ag2 Ag 0.29368 0.29368 0.75000 1.00000
Ag3 Ag 0.32340 0.07956 0.28248 1.00000
Ag4 Ag 0.07956 0.32340 0.21752 1.00000
Ag5 Ag 0.67660 0.92044 0.71752 1.00000
Ag6 Ag 0.92044 0.67660 0.78248 1.00000
Se1 Se 0.46009 0.55561 0.84140 1.00000
Se2 Se 0.92330 0.23239 0.81137 1.00000
Se3 Se 0.70692 0.30159 0.87596 1.00000
Se4 Se 0.99834 0.80535 0.37794 1.00000
Se5 Se 0.00166 0.19465 0.62206 1.00000
Se6 Se 0.55561 0.46009 0.65860 1.00000
Se7 Se 0.19465 0.00166 0.87794 1.00000
Se8 Se 0.53991 0.44439 0.15860 1.00000
Se9 Se 0.80535 0.99834 0.12206 1.00000
Se10 Se 0.69841 0.29308 0.37596 1.00000
Se11 Se 0.30159 0.70692 0.62404 1.00000
Se12 Se 0.29308 0.69841 0.12404 1.00000
Se13 Se 0.23239 0.92330 0.68863 1.00000
Se14 Se 0.07670 0.76761 0.18863 1.00000
Se15 Se 0.44439 0.53991 0.34140 1.00000
Se16 Se 0.76761 0.07670 0.31137 1.00000
