H11C7F3
Alexandria ALEXAlex-ID: agm091662630 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B7C11_4_spg9
H4C C HF
2025-05-26 11:09:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm091662630).
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 agm091662630
data_agm091662630
_cell_length_a 6.78150
_cell_length_b 6.78150
_cell_length_c 12.46914
_cell_angle_alpha 89.72382
_cell_angle_beta 90.27618
_cell_angle_gamma 42.38852
_cell_volume 386.55293
_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
H1 H 0.27405 0.47737 0.44421 1.00000
H2 H 0.52263 0.72595 0.94421 1.00000
H3 H 0.16925 0.79880 0.57662 1.00000
H4 H 0.20120 0.83075 0.07662 1.00000
H5 H 0.23266 0.42708 0.64941 1.00000
H6 H 0.57292 0.76734 0.14941 1.00000
H7 H 0.94018 0.75161 0.71903 1.00000
H8 H 0.24839 0.05982 0.21903 1.00000
H9 H 0.86893 0.44598 0.66965 1.00000
H10 H 0.55402 0.13107 0.16965 1.00000
H11 H 0.08153 0.27099 0.49562 1.00000
H12 H 0.72901 0.91847 0.99562 1.00000
H13 H 0.70398 0.50319 0.47868 1.00000
H14 H 0.49681 0.29602 0.97868 1.00000
H15 H 0.92678 0.55804 0.33583 1.00000
H16 H 0.44196 0.07322 0.83583 1.00000
H17 H 0.08757 0.78040 0.27888 1.00000
H18 H 0.21960 0.91243 0.77888 1.00000
H19 H 0.81206 0.10595 0.35309 1.00000
H20 H 0.89405 0.18794 0.85309 1.00000
H21 H 0.18700 0.88419 0.37767 1.00000
H22 H 0.11581 0.81300 0.87767 1.00000
C1 C 0.04909 0.70323 0.44263 1.00000
C2 C 0.29677 0.95091 0.94263 1.00000
C3 C 0.00116 0.81182 0.55690 1.00000
C4 C 0.18818 0.99884 0.05690 1.00000
C5 C 0.00454 0.64632 0.64065 1.00000
C6 C 0.35368 0.99546 0.14065 1.00000
C7 C 0.82085 0.60177 0.61281 1.00000
C8 C 0.39823 0.17915 0.11281 1.00000
C9 C 0.86366 0.50105 0.49835 1.00000
C10 C 0.49895 0.13634 0.99835 1.00000
C11 C 0.85741 0.66723 0.41387 1.00000
C12 C 0.33277 0.14259 0.91387 1.00000
C13 C 0.03237 0.87930 0.35822 1.00000
C14 C 0.12070 0.96763 0.85822 1.00000
F1 F 0.72869 0.11864 0.56239 1.00000
F2 F 0.88136 0.27131 0.06239 1.00000
F3 F 0.51583 0.87161 0.62866 1.00000
F4 F 0.12839 0.48417 0.12866 1.00000
F5 F 0.56008 0.95011 0.39589 1.00000
F6 F 0.04989 0.43992 0.89589 1.00000
