U5Mn3
Alexandria ALEXAlex-ID: agm009407330 · Space group: Pmmn (#59)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_1658_spg59
UMn U
2024-04-22 19:50:25.317973
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009407330).
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 agm009407330
data_agm009407330
_cell_length_a 4.67375
_cell_length_b 5.05772
_cell_length_c 11.47319
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 271.20943
_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 0.00000 0.82302 0.35831 1.00000
U2 U 0.50000 0.17698 0.85831 1.00000
U3 U 0.00000 0.82302 0.64169 1.00000
U4 U 0.50000 0.17698 0.14169 1.00000
U5 U 0.50000 0.48662 0.50000 1.00000
U6 U 0.00000 0.51338 0.00000 1.00000
U7 U 0.00000 0.93467 0.86632 1.00000
U8 U 0.50000 0.06533 0.36632 1.00000
U9 U 0.00000 0.93467 0.13368 1.00000
U10 U 0.50000 0.06533 0.63368 1.00000
Mn1 Mn 0.50000 0.58267 0.23262 1.00000
Mn2 Mn 0.00000 0.41733 0.73262 1.00000
Mn3 Mn 0.50000 0.58267 0.76738 1.00000
Mn4 Mn 0.00000 0.41733 0.26738 1.00000
Mn5 Mn 0.00000 0.32977 0.50000 1.00000
Mn6 Mn 0.50000 0.67023 0.00000 1.00000
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