MnV5O12
Alexandria ALEXAlex-ID: agm005525916 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_3_spg5
VO2 MnV2O6
2023-08-11 03:29:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005525916).
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 agm005525916
data_agm005525916
_cell_length_a 6.90655
_cell_length_b 6.90655
_cell_length_c 5.92035
_cell_angle_alpha 74.88153
_cell_angle_beta 74.88153
_cell_angle_gamma 84.29955
_cell_volume 263.04412
_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 0.09026 0.90974 0.00000 1.00000
O1 O 0.95715 0.80549 0.40041 1.00000
O2 O 0.89979 0.38148 0.52519 1.00000
O3 O 0.81140 0.95540 0.87638 1.00000
O4 O 0.63068 0.65581 0.30158 1.00000
O5 O 0.61852 0.10021 0.47481 1.00000
O6 O 0.64467 0.62653 0.80595 1.00000
O7 O 0.34419 0.36932 0.69842 1.00000
O8 O 0.39115 0.91257 0.01631 1.00000
O9 O 0.37347 0.35533 0.19405 1.00000
O10 O 0.19451 0.04285 0.59959 1.00000
O11 O 0.08743 0.60885 0.98369 1.00000
O12 O 0.04460 0.18860 0.12362 1.00000
V1 V 0.91213 0.08787 0.50000 1.00000
V2 V 0.78912 0.61265 0.50991 1.00000
V3 V 0.61539 0.79180 0.00348 1.00000
V4 V 0.38735 0.21088 0.49009 1.00000
V5 V 0.20820 0.38461 0.99652 1.00000
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