MnFe3(B2O5)2
Alexandria ALEXAlex-ID: agm020650433 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D10_23_spg1
Fe2B2O5 Mn2B2O5
2024-07-20 10:40:16.772346
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020650433).
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 agm020650433
data_agm020650433
_cell_length_a 3.22622
_cell_length_b 6.34686
_cell_length_c 9.48303
_cell_angle_alpha 105.33462
_cell_angle_beta 91.13134
_cell_angle_gamma 91.26214
_cell_volume 187.15349
_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 0.25545 0.79219 0.63799 1.00000
Fe1 Fe 0.76722 0.63413 0.89899 1.00000
Fe2 Fe 0.23892 0.36846 0.10099 1.00000
Fe3 Fe 0.74159 0.20862 0.35905 1.00000
B1 B 0.31201 0.32368 0.64854 1.00000
B2 B 0.67941 0.67587 0.35143 1.00000
B3 B 0.67670 0.12447 0.82912 1.00000
B4 B 0.33049 0.87583 0.17125 1.00000
O1 O 0.27281 0.52607 0.74506 1.00000
O2 O 0.72152 0.47331 0.25515 1.00000
O3 O 0.22617 0.27958 0.50297 1.00000
O4 O 0.74965 0.71811 0.49778 1.00000
O5 O 0.46033 0.15026 0.70229 1.00000
O6 O 0.54962 0.85354 0.29851 1.00000
O7 O 0.78287 0.91166 0.81267 1.00000
O8 O 0.23366 0.08837 0.18398 1.00000
O9 O 0.75164 0.30050 0.94751 1.00000
O10 O 0.24995 0.69536 0.05673 1.00000
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