Fe4Sb3
Alexandria ALEXAlex-ID: agm005487551 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_21_spg139
FeSb2 Fe
2023-03-19 09:36:47.756982
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005487551).
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 agm005487551
data_agm005487551
_cell_length_a 12.12586
_cell_length_b 12.12586
_cell_length_c 12.12586
_cell_angle_alpha 164.77114
_cell_angle_beta 164.77114
_cell_angle_gamma 21.60122
_cell_volume 123.00019
_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 0.88634 0.88634 0.00000 1.00000
Fe2 Fe 0.11366 0.11366 0.00000 1.00000
Fe3 Fe 0.56442 0.56442 0.00000 1.00000
Fe4 Fe 0.43558 0.43558 0.00000 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Sb2 Sb 0.68124 0.68124 0.00000 1.00000
Sb3 Sb 0.31876 0.31876 0.00000 1.00000
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