Ti8Bi9
Alexandria ALEXAlex-ID: agm003242578 · Space group: P4/nmm (#129)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A8B9_5_spg129
Ti8Bi9
2021-12-17 04:29:35.176649
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003242578).
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 agm003242578
data_agm003242578
_cell_length_a 10.31089
_cell_length_b 10.31089
_cell_length_c 7.45640
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 792.72330
_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
Ti1 Ti 0.50000 0.00000 0.42525 1.00000
Ti2 Ti 0.85825 0.00000 0.85270 1.00000
Ti3 Ti 0.00000 0.50000 0.07937 1.00000
Ti4 Ti 0.00000 0.14175 0.14730 1.00000
Ti5 Ti 0.00000 0.85825 0.14730 1.00000
Ti6 Ti 0.64175 0.50000 0.14730 1.00000
Ti7 Ti 0.50000 0.00000 0.92063 1.00000
Ti8 Ti 0.14175 0.00000 0.85270 1.00000
Ti9 Ti 0.35825 0.50000 0.14730 1.00000
Ti10 Ti 0.25000 0.75000 0.00000 1.00000
Ti11 Ti 0.50000 0.35825 0.85270 1.00000
Ti12 Ti 0.00000 0.50000 0.57475 1.00000
Ti13 Ti 0.75000 0.25000 0.00000 1.00000
Ti14 Ti 0.50000 0.64175 0.85270 1.00000
Ti15 Ti 0.75000 0.75000 0.00000 1.00000
Ti16 Ti 0.25000 0.25000 0.00000 1.00000
Bi1 Bi 0.66516 0.16516 0.65373 1.00000
Bi2 Bi 0.50000 0.23665 0.19341 1.00000
Bi3 Bi 0.00000 0.00000 0.50000 1.00000
Bi4 Bi 0.16516 0.66516 0.34627 1.00000
Bi5 Bi 0.23665 0.50000 0.80659 1.00000
Bi6 Bi 0.66516 0.83484 0.65373 1.00000
Bi7 Bi 0.00000 0.26335 0.80659 1.00000
Bi8 Bi 0.73665 0.00000 0.19341 1.00000
Bi9 Bi 0.50000 0.76335 0.19341 1.00000
Bi10 Bi 0.26335 0.00000 0.19341 1.00000
Bi11 Bi 0.33484 0.83484 0.65373 1.00000
Bi12 Bi 0.76335 0.50000 0.80659 1.00000
Bi13 Bi 0.50000 0.50000 0.50000 1.00000
Bi14 Bi 0.00000 0.73665 0.80659 1.00000
Bi15 Bi 0.16516 0.33484 0.34627 1.00000
Bi16 Bi 0.83484 0.33484 0.34627 1.00000
Bi17 Bi 0.33484 0.16516 0.65373 1.00000
Bi18 Bi 0.83484 0.66516 0.34627 1.00000
