La2Ho2Hg
Alexandria ALEXAlex-ID: agm003401468 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1449_spg141
Ho2Hg La
2022-02-11 00:20:17.323805
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003401468).
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 agm003401468
data_agm003401468
_cell_length_a 5.15899
_cell_length_b 5.15899
_cell_length_c 13.38067
_cell_angle_alpha 101.11493
_cell_angle_beta 101.11493
_cell_angle_gamma 90.00000
_cell_volume 342.63873
_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 0.82538 0.82538 0.65077 1.00000
La2 La 0.57538 0.07538 0.15077 1.00000
La3 La 0.92462 0.42462 0.84923 1.00000
La4 La 0.17462 0.17462 0.34923 1.00000
Ho1 Ho 0.42507 0.92507 0.85014 1.00000
Ho2 Ho 0.67507 0.67507 0.35014 1.00000
Ho3 Ho 0.32493 0.32493 0.64986 1.00000
Ho4 Ho 0.07493 0.57493 0.14986 1.00000
Hg1 Hg 0.50000 0.50000 0.00000 1.00000
Hg2 Hg 0.25000 0.75000 0.50000 1.00000
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