CsVSeO5
Alexandria ALEXAlex-ID: agm019252548 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD5_68_spg14
CsVSeO5
2024-11-02 18:50:13.099754
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019252548).
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 agm019252548
data_agm019252548
_cell_length_a 11.98317
_cell_length_b 7.35028
_cell_length_c 7.68552
_cell_angle_alpha 80.17171
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 667.00265
_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 0.31955 0.13999 0.79741 1.00000
Cs2 Cs 0.81955 0.86001 0.70259 1.00000
Cs3 Cs 0.68045 0.86001 0.20259 1.00000
Cs4 Cs 0.18045 0.13999 0.29741 1.00000
V1 V 0.13318 0.63769 0.57891 1.00000
V2 V 0.63318 0.36231 0.92109 1.00000
V3 V 0.86682 0.36231 0.42109 1.00000
V4 V 0.36682 0.63769 0.07891 1.00000
Se1 Se 0.96927 0.33149 0.83137 1.00000
Se2 Se 0.46927 0.66851 0.66863 1.00000
Se3 Se 0.03073 0.66851 0.16863 1.00000
Se4 Se 0.53073 0.33149 0.33137 1.00000
O1 O 0.07539 0.20026 0.90841 1.00000
O2 O 0.57539 0.79974 0.59159 1.00000
O3 O 0.92461 0.79974 0.09159 1.00000
O4 O 0.42461 0.20026 0.40841 1.00000
O5 O 0.02832 0.55817 0.75737 1.00000
O6 O 0.52832 0.44183 0.74263 1.00000
O7 O 0.97168 0.44183 0.24263 1.00000
O8 O 0.47168 0.55817 0.25737 1.00000
O9 O 0.21286 0.80497 0.63311 1.00000
O10 O 0.71286 0.19503 0.86689 1.00000
O11 O 0.78714 0.19503 0.36689 1.00000
O12 O 0.28714 0.80497 0.13311 1.00000
O13 O 0.44903 0.74126 0.87976 1.00000
O14 O 0.94903 0.25874 0.62024 1.00000
O15 O 0.55097 0.25874 0.12024 1.00000
O16 O 0.05097 0.74126 0.37976 1.00000
O17 O 0.29066 0.46177 0.03843 1.00000
O18 O 0.79066 0.53823 0.46157 1.00000
O19 O 0.70934 0.53823 0.96157 1.00000
O20 O 0.20934 0.46177 0.53843 1.00000
