BiB5
Alexandria ALEXAlex-ID: agm005242161 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_944_spg2
B Bi
2023-05-09 20:18:19.822038
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005242161).
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 agm005242161
data_agm005242161
_cell_length_a 7.81106
_cell_length_b 8.37100
_cell_length_c 14.21464
_cell_angle_alpha 88.00344
_cell_angle_beta 148.59672
_cell_angle_gamma 75.47877
_cell_volume 407.79828
_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 0.97665 0.62004 0.21714 1.00000
Bi2 Bi 0.02335 0.37996 0.78286 1.00000
Bi3 Bi 0.04949 0.16419 0.16757 1.00000
Bi4 Bi 0.95051 0.83581 0.83243 1.00000
B1 B 0.41634 0.07556 0.19216 1.00000
B2 B 0.58366 0.92444 0.80784 1.00000
B3 B 0.45103 0.11607 0.08486 1.00000
B4 B 0.54897 0.88393 0.91514 1.00000
B5 B 0.63818 0.71249 0.20963 1.00000
B6 B 0.36182 0.28751 0.79037 1.00000
B7 B 0.31632 0.96706 0.05976 1.00000
B8 B 0.68368 0.03294 0.94024 1.00000
B9 B 0.78841 0.94713 0.45693 1.00000
B10 B 0.21159 0.05287 0.54307 1.00000
B11 B 0.87177 0.01054 0.34899 1.00000
B12 B 0.12823 0.98946 0.65101 1.00000
B13 B 0.78900 0.87222 0.23424 1.00000
B14 B 0.21100 0.12778 0.76576 1.00000
B15 B 0.80983 0.61320 0.40267 1.00000
B16 B 0.19017 0.38680 0.59733 1.00000
B17 B 0.71004 0.77562 0.43186 1.00000
B18 B 0.28996 0.22438 0.56814 1.00000
B19 B 0.77850 0.82603 0.34859 1.00000
B20 B 0.22150 0.17397 0.65141 1.00000
