Lu3Fe7B2
Alexandria ALEXAlex-ID: agm101728985 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_62_spg12
Lu3Fe7B2
2025-05-15 10:37:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101728985).
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 agm101728985
data_agm101728985
_cell_length_a 7.71970
_cell_length_b 7.71970
_cell_length_c 7.71970
_cell_angle_alpha 38.22487
_cell_angle_beta 38.22487
_cell_angle_gamma 38.22487
_cell_volume 158.16661
_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
Lu1 Lu 0.00000 0.00000 0.00000 1.00000
Lu2 Lu 0.85657 0.85657 0.85657 1.00000
Lu3 Lu 0.14343 0.14343 0.14343 1.00000
Fe1 Fe 0.50000 0.50000 0.50000 1.00000
Fe2 Fe 0.43106 0.43106 0.92814 1.00000
Fe3 Fe 0.92814 0.43106 0.43106 1.00000
Fe4 Fe 0.43106 0.92814 0.43106 1.00000
Fe5 Fe 0.56894 0.56894 0.07186 1.00000
Fe6 Fe 0.56894 0.07186 0.56894 1.00000
Fe7 Fe 0.07186 0.56894 0.56894 1.00000
B1 B 0.66732 0.66732 0.66732 1.00000
B2 B 0.33268 0.33268 0.33268 1.00000
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