La3(HgAu)4
Alexandria ALEXAlex-ID: agm005707428 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_1_spg71
LaHg3 LaHgAu2 LaHgAu
2023-06-29 20:38:12.131333
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707428).
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 agm005707428
data_agm005707428
_cell_length_a 4.29784
_cell_length_b 8.23814
_cell_length_c 9.14854
_cell_angle_alpha 116.75929
_cell_angle_beta 103.58527
_cell_angle_gamma 90.00000
_cell_volume 279.03874
_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 0.12654 0.12654 0.25309 1.00000
La2 La 0.87346 0.87346 0.74691 1.00000
La3 La 0.00000 0.50000 0.00000 1.00000
Hg1 Hg 0.33366 0.13800 0.66731 1.00000
Hg2 Hg 0.66634 0.47069 0.33269 1.00000
Hg3 Hg 0.66634 0.86200 0.33269 1.00000
Hg4 Hg 0.33366 0.52931 0.66731 1.00000
Au1 Au 0.22760 0.72760 0.45521 1.00000
Au2 Au 0.77240 0.27240 0.54479 1.00000
Au3 Au 0.50000 0.82035 1.00000 1.00000
Au4 Au 0.50000 0.17965 0.00000 1.00000
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