FePb
Alexandria ALEXAlex-ID: agm005464095 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_264_spg44
Pb Fe
2023-03-20 20:32:14.374831
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005464095).
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 agm005464095
data_agm005464095
_cell_length_a 6.89487
_cell_length_b 6.89487
_cell_length_c 6.57661
_cell_angle_alpha 61.64892
_cell_angle_beta 61.64892
_cell_angle_gamma 27.25321
_cell_volume 124.91353
_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
Fe1 Fe 0.97169 0.97169 0.02493 1.00000
Fe2 Fe 0.37330 0.37330 0.34555 1.00000
Fe3 Fe 0.57125 0.57125 0.14682 1.00000
Pb1 Pb 0.68213 0.68213 0.66485 1.00000
Pb2 Pb 0.97248 0.97248 0.56797 1.00000
Pb3 Pb 0.26249 0.26249 0.08415 1.00000
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