VCr3(AgSe4)2
Alexandria ALEXAlex-ID: agm040283003 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D8_101_spg2
Cr2AgSe4 VSe2 Ag
2024-10-15 18:37:56.563248
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040283003).
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 agm040283003
data_agm040283003
_cell_length_a 7.53834
_cell_length_b 7.53834
_cell_length_c 7.53834
_cell_angle_alpha 60.83815
_cell_angle_beta 60.83815
_cell_angle_gamma 60.83815
_cell_volume 308.63403
_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
V1 V 0.50000 0.50000 0.50000 1.00000
Cr1 Cr 0.00000 0.50000 0.50000 1.00000
Cr2 Cr 0.50000 0.00000 0.50000 1.00000
Cr3 Cr 0.50000 0.50000 0.00000 1.00000
Ag1 Ag 0.87644 0.87644 0.87644 1.00000
Ag2 Ag 0.12356 0.12356 0.12356 1.00000
Se1 Se 0.29111 0.73585 0.73585 1.00000
Se2 Se 0.26415 0.70889 0.26415 1.00000
Se3 Se 0.26415 0.26415 0.70889 1.00000
Se4 Se 0.26425 0.26425 0.26425 1.00000
Se5 Se 0.73585 0.73585 0.29111 1.00000
Se6 Se 0.73575 0.73575 0.73575 1.00000
Se7 Se 0.70889 0.26415 0.26415 1.00000
Se8 Se 0.73585 0.29111 0.73585 1.00000
Get direct link