La(CuHg)2
Alexandria ALEXAlex-ID: agm002919082 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_5_spg139
LaHg2 Cu
2017-01-12 19:17:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002919082).
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 agm002919082
data_agm002919082
_cell_length_a 4.83857
_cell_length_b 4.83857
_cell_length_c 5.86457
_cell_angle_alpha 65.63638
_cell_angle_beta 65.63638
_cell_angle_gamma 90.00000
_cell_volume 111.51306
_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
Hg1 Hg 0.35400 0.35400 0.29200 1.00000
Hg2 Hg 0.64600 0.64600 0.70800 1.00000
Cu1 Cu 0.75000 0.25000 0.50000 1.00000
Cu2 Cu 0.25000 0.75000 0.50000 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
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