U9Mn4Fe5
Alexandria ALEXAlex-ID: agm008577503 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5C9_7_spg123
U2MnFe2 UMn U
2024-03-07 03:39:24.541388
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008577503).
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 agm008577503
data_agm008577503
_cell_length_a 2.88590
_cell_length_b 8.51773
_cell_length_c 11.69570
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 287.49562
_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
U1 U 0.50000 0.33310 0.83433 1.00000
U2 U 0.50000 0.66690 0.16567 1.00000
U3 U 0.50000 0.66690 0.83433 1.00000
U4 U 0.50000 0.33310 0.16567 1.00000
U5 U 0.50000 0.34144 0.50000 1.00000
U6 U 0.50000 0.65856 0.50000 1.00000
U7 U 0.50000 0.00000 0.83658 1.00000
U8 U 0.50000 0.00000 0.16342 1.00000
U9 U 0.00000 0.00000 0.50000 1.00000
Mn1 Mn 0.00000 0.16179 0.66317 1.00000
Mn2 Mn 0.00000 0.83821 0.33683 1.00000
Mn3 Mn 0.00000 0.83821 0.66317 1.00000
Mn4 Mn 0.00000 0.16179 0.33683 1.00000
Fe1 Fe 0.00000 0.16824 0.00000 1.00000
Fe2 Fe 0.00000 0.83176 0.00000 1.00000
Fe3 Fe 0.00000 0.50000 0.66903 1.00000
Fe4 Fe 0.00000 0.50000 0.33097 1.00000
Fe5 Fe 0.00000 0.50000 0.00000 1.00000
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