SmV2O2
Alexandria ALEXAlex-ID: agm005273626 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1035_spg141
SmVO3 Sm2O3 V
2023-05-08 08:41:41.609608
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005273626).
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 agm005273626
data_agm005273626
_cell_length_a 7.85833
_cell_length_b 7.85833
_cell_length_c 7.85833
_cell_angle_alpha 110.87438
_cell_angle_beta 110.87438
_cell_angle_gamma 106.69994
_cell_volume 372.91640
_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
Sm1 Sm 0.87500 0.12500 0.75000 1.00000
Sm2 Sm 0.37500 0.12500 0.25000 1.00000
Sm3 Sm 0.87500 0.62500 0.75000 1.00000
Sm4 Sm 0.87500 0.12500 0.25000 1.00000
V1 V 0.81279 0.49486 0.31792 1.00000
V2 V 0.17694 0.49486 0.68208 1.00000
V3 V 0.24486 0.42694 0.18208 1.00000
V4 V 0.57306 0.75514 0.81792 1.00000
V5 V 0.93721 0.75514 0.18208 1.00000
V6 V 0.24486 0.06279 0.81792 1.00000
V7 V 0.50514 0.82306 0.31792 1.00000
V8 V 0.50514 0.18721 0.68208 1.00000
O1 O 0.49677 0.34478 0.15199 1.00000
O2 O 0.19279 0.34478 0.84801 1.00000
O3 O 0.09478 0.44279 0.34801 1.00000
O4 O 0.55721 0.90522 0.65199 1.00000
O5 O 0.25323 0.90522 0.34801 1.00000
O6 O 0.09478 0.74677 0.65199 1.00000
O7 O 0.65522 0.80721 0.15199 1.00000
O8 O 0.65522 0.50323 0.84801 1.00000
Get direct link