LaInHg
Alexandria ALEXAlex-ID: agm070536643 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_506_spg12
LaInHg
2025-04-15 18:21:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070536643).
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 agm070536643
data_agm070536643
_cell_length_a 8.79855
_cell_length_b 8.79855
_cell_length_c 8.79855
_cell_angle_alpha 149.68209
_cell_angle_beta 149.68209
_cell_angle_gamma 43.40827
_cell_volume 173.09877
_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 0.66023 0.66023 0.00000 1.00000
La2 La 0.33977 0.33977 0.00000 1.00000
In1 In 0.00000 0.50000 0.50000 1.00000
In2 In 0.50000 0.00000 0.50000 1.00000
Hg1 Hg 0.13638 0.13638 0.00000 1.00000
Hg2 Hg 0.86362 0.86362 0.00000 1.00000
