La8Bi5Se
Alexandria ALEXAlex-ID: agm006103003 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_5_spg82
La5Bi3 LaBi LaSe
2023-08-11 07:26:01.281144
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006103003).
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 agm006103003
data_agm006103003
_cell_length_a 8.45783
_cell_length_b 8.45783
_cell_length_c 8.45783
_cell_angle_alpha 109.84898
_cell_angle_beta 108.71831
_cell_angle_gamma 109.84899
_cell_volume 465.69250
_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 0.12908 0.73020 0.00580 1.00000
La2 La 0.99420 0.12328 0.72439 1.00000
La3 La 0.76979 0.25164 0.37626 1.00000
La4 La 0.62374 0.39352 0.87538 1.00000
La5 La 0.48185 0.60648 0.23021 1.00000
La6 La 0.60111 0.87672 0.87092 1.00000
La7 La 0.27561 0.26980 0.39889 1.00000
La8 La 0.12462 0.74836 0.51815 1.00000
Bi1 Bi 0.99266 0.36278 0.11920 1.00000
Bi2 Bi 0.88080 0.87345 0.24358 1.00000
Bi3 Bi 0.75642 0.63722 0.62987 1.00000
Bi4 Bi 0.50000 0.00000 0.50000 1.00000
Bi5 Bi 0.37013 0.12655 0.00734 1.00000
Se1 Se 0.25000 0.50000 0.75000 1.00000
Get direct link