Hf3Mn3Cu2
Alexandria ALEXAlex-ID: agm009487134 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_97_spg62
Hf2MnCu2 HfMn2
2024-07-10 20:09:37.420813
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009487134).
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 agm009487134
data_agm009487134
_cell_length_a 5.19898
_cell_length_b 7.02608
_cell_length_c 14.23895
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 520.12619
_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 0.12482 0.47082 0.88933 1.00000
Hf2 Hf 0.62482 0.02918 0.11067 1.00000
Hf3 Hf 0.87518 0.52918 0.38933 1.00000
Hf4 Hf 0.37518 0.97082 0.61067 1.00000
Hf5 Hf 0.87518 0.52918 0.11067 1.00000
Hf6 Hf 0.37518 0.97082 0.88933 1.00000
Hf7 Hf 0.12482 0.47082 0.61067 1.00000
Hf8 Hf 0.62482 0.02918 0.38933 1.00000
Hf9 Hf 0.62761 0.32364 0.75000 1.00000
Hf10 Hf 0.12761 0.17636 0.25000 1.00000
Hf11 Hf 0.37239 0.67636 0.25000 1.00000
Hf12 Hf 0.87239 0.82364 0.75000 1.00000
Mn1 Mn 0.14919 0.19110 0.75000 1.00000
Mn2 Mn 0.64919 0.30890 0.25000 1.00000
Mn3 Mn 0.85081 0.80890 0.25000 1.00000
Mn4 Mn 0.35081 0.69110 0.75000 1.00000
Mn5 Mn 0.59529 0.31469 0.97003 1.00000
Mn6 Mn 0.09529 0.18531 0.02997 1.00000
Mn7 Mn 0.40471 0.68531 0.47003 1.00000
Mn8 Mn 0.90471 0.81469 0.52997 1.00000
Mn9 Mn 0.40471 0.68531 0.02997 1.00000
Mn10 Mn 0.90471 0.81469 0.97003 1.00000
Mn11 Mn 0.59529 0.31469 0.52997 1.00000
Mn12 Mn 0.09529 0.18531 0.47003 1.00000
Cu1 Cu 0.87439 0.10910 0.88235 1.00000
Cu2 Cu 0.37439 0.39090 0.11765 1.00000
Cu3 Cu 0.12561 0.89090 0.38235 1.00000
Cu4 Cu 0.62561 0.60910 0.61765 1.00000
Cu5 Cu 0.12561 0.89090 0.11765 1.00000
Cu6 Cu 0.62561 0.60910 0.88235 1.00000
Cu7 Cu 0.87439 0.10910 0.61765 1.00000
Cu8 Cu 0.37439 0.39090 0.38235 1.00000
