La6BiAs5
Alexandria ALEXAlex-ID: agm006126641 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_8_spg12
LaBi LaAs
2023-08-18 00:31:17.054479
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006126641).
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 agm006126641
data_agm006126641
_cell_length_a 7.67186
_cell_length_b 7.68135
_cell_length_c 7.67727
_cell_angle_alpha 59.98240
_cell_angle_beta 80.37764
_cell_angle_gamma 70.48041
_cell_volume 369.22632
_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
As1 As 0.50000 0.16413 0.67174 1.00000
As2 As 1.00000 0.33311 0.33379 1.00000
As3 As 0.50000 0.50000 0.00000 1.00000
As4 As 0.00000 0.66689 0.66621 1.00000
As5 As 0.50000 0.83587 0.32826 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
La1 La 0.74415 0.08543 0.34595 1.00000
La2 La 0.25585 0.56862 0.34595 1.00000
La3 La 0.25657 0.26004 0.00000 1.00000
La4 La 0.74343 0.73996 1.00000 1.00000
La5 La 0.74415 0.43138 0.65405 1.00000
La6 La 0.25585 0.91457 0.65405 1.00000
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