FeSb6Ir
Alexandria ALEXAlex-ID: agm005803221 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_89_spg12
FeSb3 Sb3Ir
2023-07-24 19:43:27.833220
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803221).
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 agm005803221
data_agm005803221
_cell_length_a 8.04112
_cell_length_b 8.04112
_cell_length_c 8.05240
_cell_angle_alpha 109.52016
_cell_angle_beta 109.51603
_cell_angle_gamma 109.32063
_cell_volume 401.08779
_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 0.00000 0.50000 1.00000
Fe2 Fe 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.15331 0.65838 0.81169 1.00000
Sb2 Sb 0.84669 0.34162 0.18831 1.00000
Sb3 Sb 0.84029 0.66710 0.50739 1.00000
Sb4 Sb 0.15971 0.33290 0.49261 1.00000
Sb5 Sb 0.82042 0.15059 0.65747 1.00000
Sb6 Sb 0.17958 0.84941 0.34253 1.00000
Sb7 Sb 0.50687 0.83704 0.65747 1.00000
Sb8 Sb 0.49313 0.16296 0.34253 1.00000
Sb9 Sb 0.66978 0.82035 0.16288 1.00000
Sb10 Sb 0.33022 0.17965 0.83712 1.00000
Sb11 Sb 0.65747 0.50689 0.83712 1.00000
Sb12 Sb 0.34253 0.49311 0.16288 1.00000
Ir1 Ir 0.00000 0.50000 0.00000 1.00000
Ir2 Ir 0.50000 0.00000 0.00000 1.00000
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