BiP3F20
Alexandria ALEXAlex-ID: agm008242001 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C20_0_spg5
BiF5 PF5
2024-04-13 04:34:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008242001).
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 agm008242001
data_agm008242001
_cell_length_a 8.45042
_cell_length_b 8.45042
_cell_length_c 5.69694
_cell_angle_alpha 83.90944
_cell_angle_beta 83.90944
_cell_angle_gamma 107.64818
_cell_volume 381.35561
_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
Bi1 Bi 0.20477 0.79523 0.00000 1.00000
P1 P 0.81148 0.18852 0.00000 1.00000
P2 P 0.25133 0.26170 0.75024 1.00000
P3 P 0.73830 0.74867 0.24976 1.00000
F1 F 0.42180 0.27645 0.59757 1.00000
F2 F 0.26724 0.45323 0.72962 1.00000
F3 F 0.54677 0.73276 0.27038 1.00000
F4 F 0.72355 0.57820 0.40243 1.00000
F5 F 0.31577 0.25621 0.99946 1.00000
F6 F 0.74379 0.68423 0.00054 1.00000
F7 F 0.42824 0.83429 0.80368 1.00000
F8 F 0.85672 0.38504 0.94837 1.00000
F9 F 0.61496 0.14328 0.05163 1.00000
F10 F 0.16571 0.57176 0.19632 1.00000
F11 F 0.19582 0.03488 0.79862 1.00000
F12 F 0.03727 0.21128 0.95873 1.00000
F13 F 0.78872 0.96273 0.04127 1.00000
F14 F 0.96512 0.80418 0.20138 1.00000
F15 F 0.14143 0.22885 0.54358 1.00000
F16 F 0.77115 0.85857 0.45642 1.00000
F17 F 0.28976 0.93025 0.25528 1.00000
F18 F 0.83517 0.18459 0.27105 1.00000
F19 F 0.81541 0.16483 0.72895 1.00000
F20 F 0.06975 0.71024 0.74472 1.00000
