HF
Alexandria ALEXAlex-ID: agm071007782 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_11768_spg1
HF
2025-01-18 08:12:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071007782).
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 agm071007782
data_agm071007782
_cell_length_a 3.40989
_cell_length_b 6.10391
_cell_length_c 8.17366
_cell_angle_alpha 92.00363
_cell_angle_beta 96.34547
_cell_angle_gamma 96.75181
_cell_volume 167.71065
_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 0.27793 0.49323 0.22473 1.00000
H2 H 0.42140 0.70651 0.67485 1.00000
H3 H 0.73891 0.15848 0.98182 1.00000
H4 H 0.83610 0.00936 0.43193 1.00000
H5 H 0.82297 0.98239 0.18288 1.00000
H6 H 0.16748 0.98584 0.64837 1.00000
H7 H 0.40012 0.50346 0.47403 1.00000
H8 H 0.49517 0.43879 0.00900 1.00000
F1 F 0.04257 0.09709 0.57682 1.00000
F2 F 0.93569 0.01629 0.07557 1.00000
F3 F 0.57123 0.55307 0.58139 1.00000
F4 F 0.40509 0.55930 0.07949 1.00000
F5 F 0.32696 0.82838 0.74256 1.00000
F6 F 0.16497 0.44121 0.32845 1.00000
F7 F 0.61307 0.27467 0.91469 1.00000
F8 F 0.66717 0.94145 0.32846 1.00000
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