Ni2BiF8
Alexandria ALEXAlex-ID: agm005996916 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_493_spg12
Bi3F11 BiF5 NiF2
2023-10-16 16:40:03.017505
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005996916).
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 agm005996916
data_agm005996916
_cell_length_a 4.22422
_cell_length_b 7.20445
_cell_length_c 6.09244
_cell_angle_alpha 126.29310
_cell_angle_beta 89.35003
_cell_angle_gamma 89.97805
_cell_volume 149.42697
_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 0.25516 0.38654 0.77348 1.00000
Ni2 Ni 0.74484 0.61346 0.22650 1.00000
Bi1 Bi 0.00000 0.00000 0.99999 1.00000
F1 F 0.24733 0.59154 0.18241 1.00000
F2 F 0.75267 0.40846 0.81756 1.00000
F3 F 0.74398 0.88193 0.20896 1.00000
F4 F 0.26983 0.18672 0.37378 1.00000
F5 F 0.25555 0.67235 0.79039 1.00000
F6 F 0.25602 0.11808 0.79102 1.00000
F7 F 0.73017 0.81327 0.62619 1.00000
F8 F 0.74445 0.32765 0.20961 1.00000
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