Fe2Pb3Se2
Alexandria ALEXAlex-ID: agm010045396 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_23_spg12
PbSe Fe Pb
2024-07-09 09:31:58.057119
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010045396).
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 agm010045396
data_agm010045396
_cell_length_a 6.66468
_cell_length_b 6.66468
_cell_length_c 8.07914
_cell_angle_alpha 76.13047
_cell_angle_beta 76.13047
_cell_angle_gamma 30.18931
_cell_volume 174.80500
_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 0.19668 0.19668 0.95174 1.00000
Fe2 Fe 0.80332 0.80332 0.04826 1.00000
Pb1 Pb 0.32408 0.32408 0.32604 1.00000
Pb2 Pb 0.00000 0.00000 0.50000 1.00000
Pb3 Pb 0.67592 0.67592 0.67396 1.00000
Se1 Se 0.60925 0.60925 0.14388 1.00000
Se2 Se 0.39075 0.39075 0.85612 1.00000
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