MgVAsO5
Alexandria ALEXAlex-ID: agm027658656 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD5_35_spg9
Mg3(AsO4)2 VO2 As2O3 V3O5
2025-04-01 08:13:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm027658656).
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 agm027658656
data_agm027658656
_cell_length_a 5.69862
_cell_length_b 5.69862
_cell_length_c 7.17196
_cell_angle_alpha 71.97356
_cell_angle_beta 108.02644
_cell_angle_gamma 83.11553
_cell_volume 204.52527
_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
Mg1 Mg 0.80715 0.80715 0.75000 1.00000
Mg2 Mg 0.19285 0.19285 0.25000 1.00000
V1 V 0.50000 0.50000 0.00000 1.00000
V2 V 0.50000 0.50000 0.50000 1.00000
As1 As 0.13758 0.13758 0.75000 1.00000
As2 As 0.86242 0.86242 0.25000 1.00000
O1 O 0.25763 0.23978 0.55462 1.00000
O2 O 0.23978 0.25763 0.94538 1.00000
O3 O 0.74237 0.76022 0.44538 1.00000
O4 O 0.76022 0.74237 0.05462 1.00000
O5 O 0.81335 0.19150 0.15124 1.00000
O6 O 0.19150 0.81335 0.34876 1.00000
O7 O 0.18665 0.80850 0.84876 1.00000
O8 O 0.80850 0.18665 0.65124 1.00000
O9 O 0.41948 0.41948 0.25000 1.00000
O10 O 0.58052 0.58052 0.75000 1.00000
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