KMnBeO3
Alexandria ALEXAlex-ID: agm005031998 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_429_spg11
KMnO2 BeO
2022-07-05 12:03:41.169164
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005031998).
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 agm005031998
data_agm005031998
_cell_length_a 2.98724
_cell_length_b 7.18075
_cell_length_c 7.34446
_cell_angle_alpha 111.95373
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 146.11901
_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
K1 K 0.25000 0.21709 0.23329 1.00000
K2 K 0.75000 0.78291 0.76671 1.00000
Mn1 Mn 0.25000 0.66310 0.14503 1.00000
Mn2 Mn 0.75000 0.33690 0.85497 1.00000
Be1 Be 0.25000 0.08658 0.60837 1.00000
Be2 Be 0.75000 0.91342 0.39163 1.00000
O1 O 0.75000 0.85703 0.16057 1.00000
O2 O 0.25000 0.14297 0.83943 1.00000
O3 O 0.25000 0.84377 0.45320 1.00000
O4 O 0.75000 0.15623 0.54680 1.00000
O5 O 0.75000 0.48064 0.14356 1.00000
O6 O 0.25000 0.51936 0.85644 1.00000
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