NiSb2F8
Alexandria ALEXAlex-ID: agm005961353 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1691_spg15
SbF3 NiF2
2023-10-17 20:03:58.984114
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961353).
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 agm005961353
data_agm005961353
_cell_length_a 7.98617
_cell_length_b 9.23578
_cell_length_c 7.08933
_cell_angle_alpha 79.93840
_cell_angle_beta 55.71895
_cell_angle_gamma 64.38320
_cell_volume 387.92834
_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
Ni1 Ni 0.08475 0.75000 0.25000 1.00000
Ni2 Ni 0.91525 0.25000 0.75000 1.00000
F1 F 0.48417 0.72077 0.53251 1.00000
F2 F 0.24422 0.90634 0.12173 1.00000
F3 F 0.89673 0.89397 0.13188 1.00000
F4 F 0.11381 0.11415 0.45152 1.00000
F5 F 0.10327 0.10603 0.86812 1.00000
F6 F 0.67948 0.38585 0.04848 1.00000
F7 F 0.88619 0.88585 0.54848 1.00000
F8 F 0.07742 0.39397 0.63188 1.00000
F9 F 0.32052 0.61415 0.95152 1.00000
F10 F 0.73745 0.77923 0.96749 1.00000
F11 F 0.72771 0.40634 0.62173 1.00000
F12 F 0.27229 0.59366 0.37827 1.00000
F13 F 0.26255 0.22077 0.03251 1.00000
F14 F 0.92258 0.60603 0.36812 1.00000
F15 F 0.51583 0.27923 0.46749 1.00000
F16 F 0.75578 0.09366 0.87827 1.00000
Sb1 Sb 0.96767 0.85808 0.80143 1.00000
Sb2 Sb 0.37283 0.35808 0.30143 1.00000
Sb3 Sb 0.62717 0.64192 0.69857 1.00000
Sb4 Sb 0.03233 0.14192 0.19857 1.00000
