CsK2V2S7
Alexandria ALEXAlex-ID: agm004589883 · Space group: R32 (#155)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_12_spg155
Cs(VS2)4 K3VS4 Cs3VS4 VS4
2022-06-26 06:09:38.417736
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004589883).
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 agm004589883
data_agm004589883
_cell_length_a 6.60434
_cell_length_b 6.60434
_cell_length_c 11.99423
_cell_angle_alpha 74.01933
_cell_angle_beta 74.01933
_cell_angle_gamma 60.00000
_cell_volume 429.56215
_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 0.50000 0.50000 0.50000 1.00000
K1 K 0.68840 0.68840 0.93478 1.00000
K2 K 0.31160 0.31160 0.06522 1.00000
V1 V 0.93458 0.93458 0.19627 1.00000
V2 V 0.06542 0.06542 0.80373 1.00000
S1 S 0.22293 0.90586 0.25627 1.00000
S2 S 0.61494 0.22293 0.25627 1.00000
S3 S 0.90586 0.61494 0.25627 1.00000
S4 S 0.38506 0.09414 0.74373 1.00000
S5 S 0.77707 0.38506 0.74373 1.00000
S6 S 0.00000 0.00000 0.00000 1.00000
S7 S 0.09414 0.77707 0.74373 1.00000
Get direct link