MnV3O9
Alexandria ALEXAlex-ID: agm005998680 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_33_spg9
Mn2V4O13 V2O5
2023-08-10 10:22:31.655813
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998680).
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 agm005998680
data_agm005998680
_cell_length_a 7.06295
_cell_length_b 8.03450
_cell_length_c 8.98836
_cell_angle_alpha 75.40810
_cell_angle_beta 66.86533
_cell_angle_gamma 63.92557
_cell_volume 419.36652
_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
Mn1 Mn 0.00287 0.50072 0.99455 1.00000
Mn2 Mn 0.50185 0.00072 0.49455 1.00000
V1 V 0.78278 0.55725 0.68293 1.00000
V2 V 0.97704 0.05725 0.18293 1.00000
V3 V 0.02715 0.94393 0.80603 1.00000
V4 V 0.22289 0.44393 0.30603 1.00000
V5 V 0.52654 0.25033 0.74430 1.00000
V6 V 0.47883 0.75033 0.24430 1.00000
O1 O 0.36025 0.21448 0.31356 1.00000
O2 O 0.11172 0.71448 0.81356 1.00000
O3 O 0.28643 0.29905 0.90575 1.00000
O4 O 0.50878 0.79905 0.40575 1.00000
O5 O 0.20606 0.02837 0.64651 1.00000
O6 O 0.11907 0.52837 0.14651 1.00000
O7 O 0.71955 0.70266 0.08336 1.00000
O8 O 0.49443 0.20266 0.58336 1.00000
O9 O 0.79749 0.97352 0.34258 1.00000
O10 O 0.88640 0.47352 0.84258 1.00000
O11 O 0.64319 0.78642 0.67579 1.00000
O12 O 0.89459 0.28642 0.17579 1.00000
O13 O 0.40327 0.55469 0.29559 1.00000
O14 O 0.74646 0.05469 0.79559 1.00000
O15 O 0.60480 0.44453 0.69245 1.00000
O16 O 0.25822 0.94453 0.19245 1.00000
O17 O 0.00095 0.00155 0.99444 1.00000
O18 O 0.00306 0.50155 0.49444 1.00000
