La3FeHg2
Alexandria ALEXAlex-ID: agm017649283 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_936_spg15
La2Hg Fe LaHg
2025-04-14 02:30:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017649283).
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 agm017649283
data_agm017649283
_cell_length_a 5.43851
_cell_length_b 7.81138
_cell_length_c 8.50460
_cell_angle_alpha 90.00000
_cell_angle_beta 110.19162
_cell_angle_gamma 90.00000
_cell_volume 339.09064
_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 0.68716 0.23576 0.34389 1.00000
La2 La 0.00000 0.76545 0.00000 1.00000
La3 La 0.31284 0.76424 0.65611 1.00000
La4 La 0.68716 0.76424 0.34389 1.00000
La5 La 0.31284 0.23576 0.65611 1.00000
La6 La 0.00000 0.23455 0.00000 1.00000
Fe1 Fe 0.28569 0.00000 0.37886 1.00000
Fe2 Fe 0.71431 0.00000 0.62114 1.00000
Hg1 Hg 0.50000 0.00000 0.00000 1.00000
Hg2 Hg 0.50000 0.50000 0.00000 1.00000
Hg3 Hg 0.18535 0.50000 0.32692 1.00000
Hg4 Hg 0.81465 0.50000 0.67308 1.00000
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