BI3
Alexandria ALEXAlex-ID: agm080498563 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_5710_spg1
BI3
2025-03-15 22:42:48.190352
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080498563).
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 agm080498563
data_agm080498563
_cell_length_a 11.52928
_cell_length_b 11.60767
_cell_length_c 12.62099
_cell_angle_alpha 111.58965
_cell_angle_beta 97.96505
_cell_angle_gamma 109.06459
_cell_volume 1418.60344
_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
B1 B 0.17655 0.47179 0.79024 1.00000
B2 B 0.34212 0.10680 0.27223 1.00000
B3 B 0.34755 0.91910 0.68239 1.00000
B4 B 0.74653 0.64842 0.89996 1.00000
B5 B 0.68494 0.78341 0.38373 1.00000
B6 B 0.95183 0.31991 0.22144 1.00000
I1 I 0.53007 0.96948 0.79410 1.00000
I2 I 0.71516 0.47027 0.92441 1.00000
I3 I 0.06733 0.42841 0.14276 1.00000
I4 I 0.64063 0.95443 0.41056 1.00000
I5 I 0.19033 0.64994 0.93377 1.00000
I6 I 0.49229 0.25907 0.42987 1.00000
I7 I 0.00599 0.28967 0.71772 1.00000
I8 I 0.33422 0.12136 0.10805 1.00000
I9 I 0.25589 0.05540 0.72842 1.00000
I10 I 0.76635 0.64849 0.73438 1.00000
I11 I 0.87346 0.81343 0.46675 1.00000
I12 I 0.75025 0.26487 0.17545 1.00000
I13 I 0.33338 0.47525 0.71836 1.00000
I14 I 0.20001 0.93927 0.27808 1.00000
I15 I 0.25637 0.73289 0.52419 1.00000
I16 I 0.75916 0.82801 0.04077 1.00000
I17 I 0.54217 0.58332 0.27562 1.00000
I18 I 0.03742 0.26699 0.34676 1.00000
