V3SbO9
Alexandria ALEXAlex-ID: agm005998147 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_33_spg9
V2O5 VSbO4
2023-08-10 11:05:59.569907
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998147).
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 agm005998147
data_agm005998147
_cell_length_a 7.66208
_cell_length_b 8.51413
_cell_length_c 9.48997
_cell_angle_alpha 73.75823
_cell_angle_beta 66.19070
_cell_angle_gamma 63.25869
_cell_volume 502.16612
_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 0.75016 0.55332 0.65869 1.00000
V2 V 0.03783 0.05332 0.15869 1.00000
V3 V 0.02558 0.96509 0.81737 1.00000
V4 V 0.19196 0.46509 0.31737 1.00000
V5 V 0.55441 0.23424 0.74967 1.00000
V6 V 0.46168 0.73424 0.24967 1.00000
Sb1 Sb 0.01550 0.49010 0.00556 1.00000
Sb2 Sb 0.48885 0.99010 0.50556 1.00000
O1 O 0.30720 0.24680 0.33943 1.00000
O2 O 0.10657 0.74680 0.83943 1.00000
O3 O 0.34909 0.29347 0.91056 1.00000
O4 O 0.44688 0.79347 0.41056 1.00000
O5 O 0.19407 0.03769 0.65266 1.00000
O6 O 0.11559 0.53769 0.15266 1.00000
O7 O 0.71125 0.66465 0.12865 1.00000
O8 O 0.49545 0.16465 0.62865 1.00000
O9 O 0.88396 0.97808 0.31215 1.00000
O10 O 0.82581 0.47808 0.81215 1.00000
O11 O 0.59258 0.77846 0.66368 1.00000
O12 O 0.96528 0.27846 0.16368 1.00000
O13 O 0.36707 0.56060 0.30142 1.00000
O14 O 0.77091 0.06060 0.80142 1.00000
O15 O 0.62072 0.42352 0.65299 1.00000
O16 O 0.30278 0.92352 0.15299 1.00000
O17 O 0.01273 0.03149 0.98502 1.00000
O18 O 0.97076 0.53149 0.48502 1.00000
