AcVO4
Alexandria ALEXAlex-ID: agm003733763 · Space group: I4_1/a (#88)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3_spg88
AcVO4
2022-04-24 16:46:00.459166
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003733763).
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 agm003733763
data_agm003733763
_cell_length_a 5.34507
_cell_length_b 5.34429
_cell_length_c 7.28812
_cell_angle_alpha 111.50552
_cell_angle_beta 111.50840
_cell_angle_gamma 90.00564
_cell_volume 178.01845
_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 0.37500 0.62500 0.25000 1.00000
Ac2 Ac 0.62500 0.37500 0.75000 1.00000
V1 V 0.12502 0.87502 0.75004 1.00000
V2 V 0.87498 0.12498 0.24996 1.00000
O1 O 0.91917 0.29703 0.09800 1.00000
O2 O 0.67884 0.80097 0.09801 1.00000
O3 O 0.29701 0.67889 0.59806 1.00000
O4 O 0.70299 0.32111 0.40194 1.00000
O5 O 0.19895 0.08082 0.40193 1.00000
O6 O 0.32116 0.19903 0.90199 1.00000
O7 O 0.80105 0.91918 0.59807 1.00000
O8 O 0.08083 0.70297 0.90200 1.00000
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