La4Bi15
Alexandria ALEXAlex-ID: agm073024976 · Space group: I-43d (#220)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B15_2_spg220
LaBi2 Bi
2024-10-20 11:00:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073024976).
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 agm073024976
data_agm073024976
_cell_length_a 11.75649
_cell_length_b 11.75649
_cell_length_c 11.75649
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 1250.86766
_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
La1 La 0.63078 0.63078 0.63078 1.00000
La2 La 0.86922 0.50000 1.00000 1.00000
La3 La 0.13078 0.13078 0.13078 1.00000
La4 La 1.00000 0.36922 0.50000 1.00000
La5 La 1.00000 0.86922 0.50000 1.00000
La6 La 0.36922 0.50000 1.00000 1.00000
La7 La 0.50000 1.00000 0.36922 1.00000
La8 La 0.50000 1.00000 0.86922 1.00000
Bi1 Bi 0.91700 0.95942 0.76906 1.00000
Bi2 Bi 0.25000 0.12500 0.87500 1.00000
Bi3 Bi 0.54058 0.45758 0.80964 1.00000
Bi4 Bi 0.45758 0.80964 0.54058 1.00000
Bi5 Bi 0.14794 0.73094 0.69036 1.00000
Bi6 Bi 0.54242 0.85206 0.08300 1.00000
Bi7 Bi 0.58300 0.35206 0.04242 1.00000
Bi8 Bi 0.30964 0.95758 0.04058 1.00000
Bi9 Bi 0.85206 0.08300 0.54242 1.00000
Bi10 Bi 0.35206 0.04242 0.58300 1.00000
Bi11 Bi 0.76906 0.91700 0.95942 1.00000
Bi12 Bi 0.41700 0.26906 0.45942 1.00000
Bi13 Bi 0.12500 0.87500 0.25000 1.00000
Bi14 Bi 0.95942 0.76906 0.91700 1.00000
Bi15 Bi 0.37500 0.62500 0.75000 1.00000
Bi16 Bi 0.19036 0.23094 0.64794 1.00000
Bi17 Bi 0.23094 0.64794 0.19036 1.00000
Bi18 Bi 0.64794 0.19036 0.23094 1.00000
Bi19 Bi 0.45942 0.41700 0.26906 1.00000
Bi20 Bi 0.87500 0.25000 0.12500 1.00000
Bi21 Bi 0.73094 0.69036 0.14794 1.00000
Bi22 Bi 0.69036 0.14794 0.73094 1.00000
Bi23 Bi 0.04058 0.30964 0.95758 1.00000
Bi24 Bi 0.04242 0.58300 0.35206 1.00000
Bi25 Bi 0.26906 0.45942 0.41700 1.00000
Bi26 Bi 0.80964 0.54058 0.45758 1.00000
Bi27 Bi 0.08300 0.54242 0.85206 1.00000
Bi28 Bi 0.75000 0.37500 0.62500 1.00000
Bi29 Bi 0.95758 0.04058 0.30964 1.00000
Bi30 Bi 0.62500 0.75000 0.37500 1.00000
