UMnAu
Alexandria ALEXAlex-ID: agm005679238 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_10436_spg64
UMn UAu2 Mn
2023-06-17 21:31:25.441415
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679238).
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 agm005679238
data_agm005679238
_cell_length_a 6.38645
_cell_length_b 5.30799
_cell_length_c 6.81854
_cell_angle_alpha 90.00012
_cell_angle_beta 94.56728
_cell_angle_gamma 90.00005
_cell_volume 230.40928
_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 0.79051 0.62705 0.38582 1.00000
U2 U 0.20949 0.37295 0.61418 1.00000
U3 U 0.29051 0.87294 0.88582 1.00000
U4 U 0.70949 0.12706 0.11418 1.00000
Mn1 Mn 0.93540 0.13914 0.35250 1.00000
Mn2 Mn 0.43540 0.36086 0.85250 1.00000
Mn3 Mn 0.06460 0.86086 0.64750 1.00000
Mn4 Mn 0.56460 0.63914 0.14750 1.00000
Au1 Au 0.79887 0.62508 0.84922 1.00000
Au2 Au 0.20113 0.37492 0.15078 1.00000
Au3 Au 0.70113 0.12508 0.65078 1.00000
Au4 Au 0.29887 0.87492 0.34922 1.00000
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