Hf3U2Mn3
Alexandria ALEXAlex-ID: agm008979653 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
Hf2UMn3 Hf U
2024-03-17 14:13:52.584316
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008979653).
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 agm008979653
data_agm008979653
_cell_length_a 6.51309
_cell_length_b 6.51309
_cell_length_c 13.52008
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 150.25859
_cell_volume 284.51885
_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
Hf1 Hf 0.58327 0.41673 0.37042 1.00000
Hf2 Hf 0.41673 0.58327 0.87042 1.00000
Hf3 Hf 0.58327 0.41673 0.12958 1.00000
Hf4 Hf 0.41673 0.58327 0.62958 1.00000
Hf5 Hf 0.91457 0.08543 0.25000 1.00000
Hf6 Hf 0.08543 0.91457 0.75000 1.00000
U1 U 0.69994 0.30006 0.91723 1.00000
U2 U 0.30006 0.69994 0.41723 1.00000
U3 U 0.69994 0.30006 0.58277 1.00000
U4 U 0.30006 0.69994 0.08277 1.00000
Mn1 Mn 0.91892 0.08108 0.45660 1.00000
Mn2 Mn 0.08108 0.91892 0.95660 1.00000
Mn3 Mn 0.91892 0.08108 0.04340 1.00000
Mn4 Mn 0.08108 0.91892 0.54340 1.00000
Mn5 Mn 0.22349 0.77651 0.25000 1.00000
Mn6 Mn 0.77651 0.22349 0.75000 1.00000
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