Fe4SnSb12
Alexandria ALEXAlex-ID: agm006011127 · Space group: Im-3 (#204)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_14_spg204
FeSb3 Sn4Sb3 FeSb2
2023-08-07 15:59:17.958993
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006011127).
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 agm006011127
data_agm006011127
_cell_length_a 7.98110
_cell_length_b 7.98109
_cell_length_c 7.98109
_cell_angle_alpha 109.47120
_cell_angle_beta 109.47130
_cell_angle_gamma 109.47130
_cell_volume 391.34944
_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 0.00000 0.50000 0.00000 1.00000
Fe2 Fe 0.50000 0.00000 0.00000 1.00000
Fe3 Fe 0.50000 0.50000 0.50000 1.00000
Fe4 Fe 0.00000 0.00000 0.50000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.83898 0.33198 0.17095 1.00000
Sb2 Sb 0.33198 0.49300 0.16102 1.00000
Sb3 Sb 0.82905 0.16102 0.66802 1.00000
Sb4 Sb 0.33198 0.17095 0.83898 1.00000
Sb5 Sb 0.17095 0.83898 0.33198 1.00000
Sb6 Sb 0.66802 0.50700 0.83898 1.00000
Sb7 Sb 0.49300 0.16102 0.33198 1.00000
Sb8 Sb 0.50700 0.83898 0.66802 1.00000
Sb9 Sb 0.66802 0.82905 0.16102 1.00000
Sb10 Sb 0.83898 0.66802 0.50700 1.00000
Sb11 Sb 0.16102 0.33198 0.49300 1.00000
Sb12 Sb 0.16102 0.66802 0.82905 1.00000
Get direct link