LaCeHg3
Alexandria ALEXAlex-ID: agm005839596 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4829_spg63
La3Hg4 CeHg CeHg2
2023-07-04 11:43:00.017084
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005839596).
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
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# CIF generated by HEAS from Alexandria entry agm005839596
data_agm005839596
_cell_length_a 3.55063
_cell_length_b 5.07335
_cell_length_c 15.23838
_cell_angle_alpha 90.00000
_cell_angle_beta 96.69032
_cell_angle_gamma 90.00000
_cell_volume 272.62847
_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 0.92603 0.75000 0.85206 1.00000
La2 La 0.07397 0.25000 0.14794 1.00000
Ce1 Ce 0.21277 0.75000 0.42554 1.00000
Ce2 Ce 0.78723 0.25000 0.57446 1.00000
Hg1 Hg 0.62166 0.75000 0.24333 1.00000
Hg2 Hg 0.37834 0.25000 0.75667 1.00000
Hg3 Hg 0.52419 0.75000 0.04837 1.00000
Hg4 Hg 0.47581 0.25000 0.95163 1.00000
Hg5 Hg 0.67700 0.25000 0.35401 1.00000
Hg6 Hg 0.32300 0.75000 0.64599 1.00000
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