Sb2H7F
Alexandria ALEXAlex-ID: agm006196453 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_862_spg1
H9F HF Sb
2023-11-17 23:32:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006196453).
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 agm006196453
data_agm006196453
_cell_length_a 5.00503
_cell_length_b 4.59645
_cell_length_c 12.88453
_cell_angle_alpha 132.33606
_cell_angle_beta 46.73367
_cell_angle_gamma 120.92804
_cell_volume 158.79424
_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 0.99463 0.84947 0.33986 1.00000
H2 H 0.65859 0.90170 0.86257 1.00000
H3 H 0.06077 0.50084 0.76217 1.00000
H4 H 0.95712 0.41868 0.35755 1.00000
H5 H 0.42592 0.87424 0.34168 1.00000
H6 H 0.18540 0.79019 0.05639 1.00000
H7 H 0.18155 0.62370 0.57376 1.00000
F1 F 0.76002 0.27334 0.14962 1.00000
Sb1 Sb 0.12672 0.92211 0.76849 1.00000
Sb2 Sb 0.88168 0.90312 0.25608 1.00000
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