Sb5AuF3
Alexandria ALEXAlex-ID: agm072374501 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1114_spg8
Sb2Au Sb SbF3
2024-09-24 07:43:28.731837
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072374501).
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 agm072374501
data_agm072374501
_cell_length_a 4.42081
_cell_length_b 4.42133
_cell_length_c 13.18448
_cell_angle_alpha 88.73761
_cell_angle_beta 89.04798
_cell_angle_gamma 93.53607
_cell_volume 257.10741
_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
Sb1 Sb 0.58964 0.58906 0.45593 1.00000
Sb2 Sb 0.78837 0.23303 0.17669 1.00000
Sb3 Sb 0.25245 0.81522 0.82353 1.00000
Sb4 Sb 0.23430 0.78699 0.17752 1.00000
Sb5 Sb 0.81074 0.25681 0.82446 1.00000
Au1 Au 0.02316 0.02172 0.00079 1.00000
F1 F 0.61102 0.60844 0.60141 1.00000
F2 F 0.56092 0.12851 0.46982 1.00000
F3 F 0.12939 0.56020 0.46986 1.00000
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