AcV2AuO7
Alexandria ALEXAlex-ID: agm004873385 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D7_241_spg119
V2O5 AcVO4 Au2O3 Au
2022-07-01 08:31:28.718562
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004873385).
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 agm004873385
data_agm004873385
_cell_length_a 3.76282
_cell_length_b 3.76282
_cell_length_c 11.04882
_cell_angle_alpha 99.80419
_cell_angle_beta 99.80419
_cell_angle_gamma 90.00000
_cell_volume 151.83449
_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 0.50000 0.50000 0.00000 1.00000
V1 V 0.89287 0.89287 0.78575 1.00000
V2 V 0.10713 0.10713 0.21425 1.00000
Au1 Au 0.25000 0.75000 0.50000 1.00000
O1 O 0.09362 0.59362 0.18724 1.00000
O2 O 0.00000 0.00000 0.00000 1.00000
O3 O 0.40638 0.90638 0.81276 1.00000
O4 O 0.81315 0.81315 0.62630 1.00000
O5 O 0.59024 0.09024 0.18047 1.00000
O6 O 0.18685 0.18685 0.37370 1.00000
O7 O 0.90976 0.40976 0.81953 1.00000
Get direct link