HfMn2Fe
Alexandria ALEXAlex-ID: agm005683271 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7717_spg141
HfMn2 HfFe2 Mn
2023-07-14 16:23:36.170670
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683271).
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 agm005683271
data_agm005683271
_cell_length_a 8.96101
_cell_length_b 8.94610
_cell_length_c 4.76316
_cell_angle_alpha 89.99995
_cell_angle_beta 90.00000
_cell_angle_gamma 89.88553
_cell_volume 381.84309
_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 0.00000 0.25000 0.62377 1.00000
Hf2 Hf 0.50000 0.75000 0.12463 1.00000
Hf3 Hf 1.00000 0.75000 0.37623 1.00000
Hf4 Hf 0.50000 0.25000 0.87537 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Mn2 Mn 0.50000 0.50000 0.50000 1.00000
Mn3 Mn 0.24999 0.74999 0.75076 1.00000
Mn4 Mn 0.75001 0.25001 0.24924 1.00000
Mn5 Mn 0.75001 0.75001 0.75076 1.00000
Mn6 Mn 0.24999 0.24999 0.24924 1.00000
Mn7 Mn 0.00000 0.50000 0.00000 1.00000
Mn8 Mn 0.50000 0.00000 0.50000 1.00000
Fe1 Fe 0.50000 0.75000 0.62472 1.00000
Fe2 Fe 0.50000 0.25000 0.37528 1.00000
Fe3 Fe 0.00000 0.25000 0.12382 1.00000
Fe4 Fe 1.00000 0.75000 0.87618 1.00000
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