La2HoHg8
Alexandria ALEXAlex-ID: agm005992664 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1013_spg71
HoHg2 LaHg3
2023-10-20 14:46:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005992664).
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 agm005992664
data_agm005992664
_cell_length_a 5.27027
_cell_length_b 7.53942
_cell_length_c 8.68021
_cell_angle_alpha 115.73523
_cell_angle_beta 107.67265
_cell_angle_gamma 90.00005
_cell_volume 292.52026
_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 0.19790 0.69785 0.39579 1.00000
La2 La 0.80210 0.30215 0.60421 1.00000
Ho1 Ho 0.50000 0.00000 0.00000 1.00000
Hg1 Hg 0.63706 0.84471 0.27413 1.00000
Hg2 Hg 0.36302 0.57057 0.72604 1.00000
Hg3 Hg 0.15575 0.15576 0.31150 1.00000
Hg4 Hg 0.99999 0.28148 0.99999 1.00000
Hg5 Hg 0.84425 0.84424 0.68850 1.00000
Hg6 Hg 0.63698 0.42943 0.27396 1.00000
Hg7 Hg 0.36294 0.15529 0.72587 1.00000
Hg8 Hg 0.00001 0.71852 0.00001 1.00000
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