In3H2F5
Alexandria ALEXAlex-ID: agm005604668 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_250_spg15
InH7F2 In InF2
2023-06-26 10:27:53.728578
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604668).
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 agm005604668
data_agm005604668
_cell_length_a 5.75627
_cell_length_b 8.52616
_cell_length_c 8.52649
_cell_angle_alpha 56.88539
_cell_angle_beta 114.82293
_cell_angle_gamma 114.82466
_cell_volume 307.96965
_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 0.40113 0.47976 0.83047 1.00000
In2 In 0.90114 0.83048 0.47975 1.00000
In3 In 0.59887 0.52024 0.16953 1.00000
In4 In 0.09886 0.16952 0.52025 1.00000
In5 In 0.25000 0.86423 0.13577 1.00000
In6 In 0.75000 0.13577 0.86423 1.00000
H1 H 0.97784 0.66035 0.13970 1.00000
H2 H 0.47785 0.13974 0.66035 1.00000
H3 H 0.02216 0.33965 0.86030 1.00000
H4 H 0.52215 0.86026 0.33965 1.00000
F1 F 0.50760 0.16900 0.99177 1.00000
F2 F 0.00761 0.99176 0.16901 1.00000
F3 F 0.49240 0.83100 0.00823 1.00000
F4 F 0.99239 0.00824 0.83099 1.00000
F5 F 0.76119 0.60707 0.73673 1.00000
F6 F 0.23881 0.39293 0.26327 1.00000
F7 F 0.75003 0.60352 0.39649 1.00000
F8 F 0.24997 0.39648 0.60351 1.00000
F9 F 0.73880 0.26325 0.39292 1.00000
F10 F 0.26120 0.73675 0.60708 1.00000
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