In2AsF6
Alexandria ALEXAlex-ID: agm097667474 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2313_spg2
InF3 As
2025-04-08 13:12:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097667474).
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
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# CIF generated by HEAS from Alexandria entry agm097667474
data_agm097667474
_cell_length_a 4.37402
_cell_length_b 5.64321
_cell_length_c 8.56717
_cell_angle_alpha 91.49407
_cell_angle_beta 101.95978
_cell_angle_gamma 92.74343
_cell_volume 206.50042
_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 0.83059 0.12484 0.13799 1.00000
In2 In 0.94905 0.77236 0.40355 1.00000
As1 As 0.60683 0.54015 0.75192 1.00000
F1 F 0.78597 0.43948 0.96045 1.00000
F2 F 0.48876 0.70506 0.52467 1.00000
F3 F 0.61934 0.83346 0.83349 1.00000
F4 F 0.31541 0.11607 0.09928 1.00000
F5 F 0.99690 0.56692 0.71202 1.00000
F6 F 0.90715 0.40167 0.32664 1.00000
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