InSb3F12
Alexandria ALEXAlex-ID: agm080388376 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_619_spg1
InF3 SbF3
2025-03-01 02:21:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080388376).
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 agm080388376
data_agm080388376
_cell_length_a 6.74340
_cell_length_b 7.11463
_cell_length_c 7.83152
_cell_angle_alpha 112.68388
_cell_angle_beta 114.39562
_cell_angle_gamma 93.64088
_cell_volume 304.41579
_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
In1 In 0.92546 0.79617 0.83537 1.00000
Sb1 Sb 0.54106 0.68110 0.07298 1.00000
Sb2 Sb 0.96674 0.31164 0.35502 1.00000
Sb3 Sb 0.36648 0.98338 0.66532 1.00000
F1 F 0.63692 0.82451 0.60969 1.00000
F2 F 0.93515 0.09209 0.05257 1.00000
F3 F 0.22722 0.76328 0.04636 1.00000
F4 F 0.18802 0.05278 0.42807 1.00000
F5 F 0.34459 0.41156 0.82651 1.00000
F6 F 0.71233 0.38613 0.17025 1.00000
F7 F 0.46325 0.80807 0.87233 1.00000
F8 F 0.78300 0.63853 0.96089 1.00000
F9 F 0.10549 0.97341 0.74799 1.00000
F10 F 0.88351 0.50090 0.59814 1.00000
F11 F 0.18440 0.69421 0.45219 1.00000
F12 F 0.73638 0.08223 0.30634 1.00000
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