Y2ScVO6
Alexandria ALEXAlex-ID: agm054097071 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_297_spg14
YVO3 Y3ScO6 Sc2O3
2025-03-12 09:45:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm054097071).
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 agm054097071
data_agm054097071
_cell_length_a 5.40559
_cell_length_b 5.70300
_cell_length_c 9.52199
_cell_angle_alpha 90.00000
_cell_angle_beta 124.10638
_cell_angle_gamma 90.00000
_cell_volume 243.05452
_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
Y1 Y 0.72855 0.56609 0.24926 1.00000
Y2 Y 0.72855 0.93391 0.74926 1.00000
Y3 Y 0.27145 0.43391 0.75074 1.00000
Y4 Y 0.27145 0.06609 0.25074 1.00000
Sc1 Sc 0.00000 0.50000 0.00000 1.00000
Sc2 Sc 0.00000 0.00000 0.50000 1.00000
V1 V 0.50000 0.50000 0.50000 1.00000
V2 V 0.50000 0.00000 0.00000 1.00000
O1 O 0.62373 0.80042 0.43624 1.00000
O2 O 0.62373 0.69958 0.93624 1.00000
O3 O 0.37627 0.19958 0.56376 1.00000
O4 O 0.37627 0.30042 0.06376 1.00000
O5 O 0.25970 0.80616 0.06413 1.00000
O6 O 0.25970 0.69384 0.56413 1.00000
O7 O 0.74030 0.19384 0.93587 1.00000
O8 O 0.74030 0.30616 0.43587 1.00000
O9 O 0.87115 0.94963 0.24688 1.00000
O10 O 0.87115 0.55037 0.74688 1.00000
O11 O 0.12885 0.05037 0.75312 1.00000
O12 O 0.12885 0.44963 0.25312 1.00000
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