La6Hg5Bi
Alexandria ALEXAlex-ID: agm006117375 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
LaHg LaBi
2023-09-17 06:52:28.276293
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006117375).
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 agm006117375
data_agm006117375
_cell_length_a 5.56235
_cell_length_b 7.82474
_cell_length_c 9.66863
_cell_angle_alpha 113.86913
_cell_angle_beta 106.76390
_cell_angle_gamma 89.99942
_cell_volume 365.18325
_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 0.83299 0.58311 0.66626 1.00000
La2 La 0.83299 0.08315 0.66625 1.00000
La3 La 0.49999 0.74944 0.00001 1.00000
La4 La 0.50001 0.25056 0.99999 1.00000
La5 La 0.16701 0.91685 0.33375 1.00000
La6 La 0.16701 0.41689 0.33374 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.67484 0.17459 0.34916 1.00000
Hg2 Hg 0.33355 0.33319 0.66638 1.00000
Hg3 Hg 0.00000 0.50000 0.00000 1.00000
Hg4 Hg 0.66645 0.66681 0.33362 1.00000
Hg5 Hg 0.32516 0.82541 0.65084 1.00000
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