MnV2O7
Alexandria ALEXAlex-ID: agm005237720 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_191_spg2
Mn2V4O13 VO3 MnO2
2023-05-08 16:14:06.548978
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005237720).
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 agm005237720
data_agm005237720
_cell_length_a 5.91253
_cell_length_b 7.03638
_cell_length_c 7.78036
_cell_angle_alpha 80.66261
_cell_angle_beta 84.52601
_cell_angle_gamma 75.38923
_cell_volume 308.56398
_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 0.90714 0.66327 0.64611 1.00000
Mn2 Mn 0.09286 0.33673 0.35389 1.00000
V1 V 0.88674 0.15892 0.75860 1.00000
V2 V 0.11326 0.84108 0.24140 1.00000
V3 V 0.29791 0.32365 0.91204 1.00000
V4 V 0.70209 0.67635 0.08796 1.00000
O1 O 0.60111 0.20486 0.86525 1.00000
O2 O 0.39889 0.79514 0.13475 1.00000
O3 O 0.11339 0.15951 0.90131 1.00000
O4 O 0.88661 0.84049 0.09869 1.00000
O5 O 0.90503 0.34712 0.58788 1.00000
O6 O 0.09497 0.65288 0.41212 1.00000
O7 O 0.94678 0.94095 0.68664 1.00000
O8 O 0.05322 0.05905 0.31336 1.00000
O9 O 0.20249 0.52609 0.76403 1.00000
O10 O 0.79751 0.47391 0.23597 1.00000
O11 O 0.26050 0.38551 0.11638 1.00000
O12 O 0.73950 0.61449 0.88362 1.00000
O13 O 0.64592 0.76188 0.53949 1.00000
O14 O 0.35408 0.23812 0.46051 1.00000
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