Hf3Mn7Be2
Alexandria ALEXAlex-ID: agm024686309 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
MnBe2 HfMn2
2025-05-15 14:38:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024686309).
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
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# CIF generated by HEAS from Alexandria entry agm024686309
data_agm024686309
_cell_length_a 8.21354
_cell_length_b 8.21354
_cell_length_c 8.21354
_cell_angle_alpha 34.02027
_cell_angle_beta 34.02027
_cell_angle_gamma 34.02027
_cell_volume 154.61259
_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 0.00000 0.00000 1.00000
Hf2 Hf 0.14076 0.14076 0.14076 1.00000
Hf3 Hf 0.85924 0.85924 0.85924 1.00000
Mn1 Mn 0.50000 0.50000 0.50000 1.00000
Mn2 Mn 0.07551 0.58158 0.58158 1.00000
Mn3 Mn 0.58158 0.58158 0.07551 1.00000
Mn4 Mn 0.58158 0.07551 0.58158 1.00000
Mn5 Mn 0.92449 0.41842 0.41842 1.00000
Mn6 Mn 0.41842 0.92449 0.41842 1.00000
Mn7 Mn 0.41842 0.41842 0.92449 1.00000
Be1 Be 0.33395 0.33395 0.33395 1.00000
Be2 Be 0.66605 0.66605 0.66605 1.00000
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