AcVO3
Alexandria ALEXAlex-ID: agm005759074 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_782_spg74
AcVO3
2023-07-05 07:18:27.912663
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759074).
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 agm005759074
data_agm005759074
_cell_length_a 5.72438
_cell_length_b 5.72438
_cell_length_c 9.94380
_cell_angle_alpha 73.14875
_cell_angle_beta 73.14875
_cell_angle_gamma 58.78068
_cell_volume 262.78300
_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
Ac1 Ac 0.87616 0.37657 0.87318 1.00000
Ac2 Ac 0.62343 0.12384 0.62682 1.00000
Ac3 Ac 0.12384 0.62343 0.12682 1.00000
Ac4 Ac 0.37657 0.87616 0.37318 1.00000
V1 V 0.00000 0.50000 0.50000 1.00000
V2 V 0.50000 0.00000 0.00000 1.00000
V3 V 0.75014 0.24986 0.25000 1.00000
V4 V 0.24986 0.75014 0.75000 1.00000
O1 O 0.85413 0.85478 0.85747 1.00000
O2 O 0.14522 0.14587 0.64253 1.00000
O3 O 0.14587 0.14522 0.14253 1.00000
O4 O 0.85478 0.85413 0.35747 1.00000
O5 O 0.64556 0.64584 0.64239 1.00000
O6 O 0.35416 0.35444 0.85761 1.00000
O7 O 0.35444 0.35416 0.35761 1.00000
O8 O 0.64584 0.64556 0.14239 1.00000
O9 O 0.33939 0.83921 0.90701 1.00000
O10 O 0.16079 0.66061 0.59299 1.00000
O11 O 0.83921 0.33939 0.40701 1.00000
O12 O 0.66061 0.16079 0.09299 1.00000
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