La2Al3Ag4Hg
Alexandria ALEXAlex-ID: agm004530757 · Space group: P-4m2 (#115)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D4_7_spg115
La2AgHg3 La2(AlAg)5 LaAl2Ag3
2022-06-21 00:56:39.054298
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004530757).
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 agm004530757
data_agm004530757
_cell_length_a 4.50742
_cell_length_b 4.50742
_cell_length_c 11.06137
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 224.73237
_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 0.50000 0.00000 0.24452 1.00000
La2 La 0.00000 0.50000 0.75548 1.00000
Al1 Al 0.00000 0.00000 0.50000 1.00000
Al2 Al 0.50000 0.00000 0.87598 1.00000
Al3 Al 0.00000 0.50000 0.12402 1.00000
Ag1 Ag 0.50000 0.50000 0.00000 1.00000
Ag2 Ag 0.00000 0.00000 0.00000 1.00000
Ag3 Ag 0.50000 0.00000 0.64681 1.00000
Ag4 Ag 0.00000 0.50000 0.35319 1.00000
Hg1 Hg 0.50000 0.50000 0.50000 1.00000
Get direct link