ScV2O6
Alexandria ALEXAlex-ID: agm097144475 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_882_spg12
VO2 ScVO4
2025-04-07 04:42:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097144475).
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 agm097144475
data_agm097144475
_cell_length_a 3.99732
_cell_length_b 3.43907
_cell_length_c 7.71871
_cell_angle_alpha 86.92583
_cell_angle_beta 83.02855
_cell_angle_gamma 90.17990
_cell_volume 105.16853
_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
Sc1 Sc 0.38807 0.55023 0.12661 1.00000
V1 V 0.93507 0.08061 0.87880 1.00000
V2 V 0.79165 0.90917 0.44613 1.00000
O1 O 0.41078 0.07242 0.94872 1.00000
O2 O 0.50356 0.66426 0.57377 1.00000
O3 O 0.56353 0.03769 0.26222 1.00000
O4 O 0.97008 0.10144 0.65934 1.00000
O5 O 0.02395 0.51582 0.35586 1.00000
O6 O 0.91330 0.56837 0.99855 1.00000
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