U8Bi3
Alexandria ALEXAlex-ID: agm009769960 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B8_296_spg12
U2Bi U
2024-03-23 13:39:35.858403
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009769960).
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 agm009769960
data_agm009769960
_cell_length_a 3.71032
_cell_length_b 5.72670
_cell_length_c 12.79932
_cell_angle_alpha 94.85402
_cell_angle_beta 98.73652
_cell_angle_gamma 77.34090
_cell_volume 261.89680
_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
U1 U 0.78642 0.71437 0.17482 1.00000
U2 U 0.75330 0.24451 0.50382 1.00000
U3 U 0.24670 0.75549 0.49618 1.00000
U4 U 0.21358 0.28563 0.82518 1.00000
U5 U 0.35734 0.44027 0.11218 1.00000
U6 U 0.64266 0.55973 0.88782 1.00000
U7 U 0.26093 0.39631 0.63123 1.00000
U8 U 0.73907 0.60369 0.36877 1.00000
Bi1 Bi 0.22790 0.11144 0.29921 1.00000
Bi2 Bi 0.77210 0.88856 0.70079 1.00000
Bi3 Bi 0.00000 0.00000 0.00000 1.00000
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