Li4FePb8
Alexandria ALEXAlex-ID: agm097982286 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_799_spg65
Pb Fe LiPb
2025-06-16 12:45:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097982286).
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 agm097982286
data_agm097982286
_cell_length_a 4.39038
_cell_length_b 8.61144
_cell_length_c 9.91614
_cell_angle_alpha 62.15289
_cell_angle_beta 89.99935
_cell_angle_gamma 89.99996
_cell_volume 331.48896
_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
Li1 Li 0.11538 0.95870 0.14007 1.00000
Li2 Li 0.11524 0.49546 0.98653 1.00000
Li3 Li 0.11531 0.58127 0.46477 1.00000
Li4 Li 0.11522 0.91282 0.54245 1.00000
Fe1 Fe 0.61574 0.03384 0.92084 1.00000
Pb1 Pb 0.61535 0.24038 0.07411 1.00000
Pb2 Pb 0.61543 0.65806 0.17117 1.00000
Pb3 Pb 0.61525 0.64161 0.74246 1.00000
Pb4 Pb 0.61537 0.15224 0.60037 1.00000
Pb5 Pb 0.61528 0.86264 0.37288 1.00000
Pb6 Pb 0.11533 0.31155 0.31725 1.00000
Pb7 Pb 0.11550 0.28924 0.79432 1.00000
Pb8 Pb 0.11560 0.86219 0.87277 1.00000
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