MnBiO3
Alexandria ALEXAlex-ID: agm005746292 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_8528_spg12
Mn2BiO5 Mn3O4 Bi2O3
2023-07-05 05:39:13.758077
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005746292).
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 agm005746292
data_agm005746292
_cell_length_a 3.87328
_cell_length_b 6.03913
_cell_length_c 6.60210
_cell_angle_alpha 102.69208
_cell_angle_beta 90.00000
_cell_angle_gamma 108.70419
_cell_volume 142.28582
_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 0.35755 0.71510 0.48155 1.00000
Mn2 Mn 0.64245 0.28490 0.51845 1.00000
Bi1 Bi 0.11321 0.22642 0.87252 1.00000
Bi2 Bi 0.88679 0.77358 0.12748 1.00000
O1 O 0.83720 0.67439 0.44311 1.00000
O2 O 0.16280 0.32561 0.55689 1.00000
O3 O 0.51607 0.03214 0.28037 1.00000
O4 O 0.48393 0.96786 0.71963 1.00000
O5 O 0.72135 0.44269 0.83520 1.00000
O6 O 0.27865 0.55731 0.16480 1.00000
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