MnVBiO5
Alexandria ALEXAlex-ID: agm003220163 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD5_77_spg2
MnVBiO5
2021-12-06 16:27:49.014590
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003220163).
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 agm003220163
data_agm003220163
_cell_length_a 5.47407
_cell_length_b 7.04733
_cell_length_c 7.12717
_cell_angle_alpha 110.06647
_cell_angle_beta 107.08735
_cell_angle_gamma 97.02047
_cell_volume 239.11938
_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 0.32919 0.37087 0.22906 1.00000
Mn2 Mn 0.67081 0.62913 0.77094 1.00000
V1 V 0.66133 0.18102 0.88661 1.00000
V2 V 0.33867 0.81898 0.11339 1.00000
Bi1 Bi 0.10715 0.75787 0.54079 1.00000
Bi2 Bi 0.89285 0.24213 0.45921 1.00000
O1 O 0.22454 0.66262 0.23305 1.00000
O2 O 0.77546 0.33738 0.76695 1.00000
O3 O 0.43289 0.08644 0.28643 1.00000
O4 O 0.56711 0.91356 0.71357 1.00000
O5 O 0.61165 0.75349 0.06788 1.00000
O6 O 0.38835 0.24651 0.93212 1.00000
O7 O 0.73663 0.50413 0.45123 1.00000
O8 O 0.26337 0.49587 0.54877 1.00000
O9 O 0.91136 0.21882 0.12809 1.00000
O10 O 0.08864 0.78118 0.87191 1.00000
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