La2CdHg5
Alexandria ALEXAlex-ID: agm005991377 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_146_spg63
LaHg3 LaCdHg2
2023-08-22 02:00:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005991377).
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 agm005991377
data_agm005991377
_cell_length_a 4.47343
_cell_length_b 9.57628
_cell_length_c 10.49980
_cell_angle_alpha 89.99999
_cell_angle_beta 90.00000
_cell_angle_gamma 103.50723
_cell_volume 437.35750
_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 0.80321 0.60643 0.75000 1.00000
La2 La 0.19679 0.39357 0.25000 1.00000
La3 La 0.00000 0.00000 0.00000 1.00000
La4 La 0.00000 0.00000 0.50000 1.00000
Cd1 Cd 0.45730 0.91460 0.75000 1.00000
Cd2 Cd 0.54270 0.08540 0.25000 1.00000
Hg1 Hg 0.20100 0.40200 0.89837 1.00000
Hg2 Hg 0.79900 0.59800 0.10163 1.00000
Hg3 Hg 0.20100 0.40200 0.60163 1.00000
Hg4 Hg 0.79900 0.59800 0.39837 1.00000
Hg5 Hg 0.36625 0.73250 0.96587 1.00000
Hg6 Hg 0.63375 0.26750 0.03413 1.00000
Hg7 Hg 0.36625 0.73250 0.53413 1.00000
Hg8 Hg 0.63375 0.26750 0.46587 1.00000
Hg9 Hg 0.60719 0.21438 0.75000 1.00000
Hg10 Hg 0.39281 0.78562 0.25000 1.00000
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