Sb2IF2
Alexandria ALEXAlex-ID: agm003395445 · Space group: I4_1md (#109)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1577_spg109
SbI3 Sb SbF3
2022-02-10 08:44:02.670270
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003395445).
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 agm003395445
data_agm003395445
_cell_length_a 6.05755
_cell_length_b 6.05755
_cell_length_c 9.12939
_cell_angle_alpha 109.37569
_cell_angle_beta 109.37569
_cell_angle_gamma 90.00000
_cell_volume 295.83262
_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 0.48340 0.72291 0.96680 1.00000
Sb2 Sb 0.49390 0.23340 0.46680 1.00000
Sb3 Sb 0.97291 0.23340 0.46680 1.00000
Sb4 Sb 0.48340 0.24390 0.96680 1.00000
I1 I 0.99705 0.99705 0.99411 1.00000
I2 I 0.24705 0.74705 0.49411 1.00000
F1 F 0.60840 0.87539 0.21679 1.00000
F2 F 0.59140 0.35840 0.71679 1.00000
F3 F 0.12539 0.35840 0.71679 1.00000
F4 F 0.60840 0.34140 0.21679 1.00000
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