LaAl2HgH8
Alexandria ALEXAlex-ID: agm007620441 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1236_spg5
AlH3 LaAlH6 Hg Al
2024-02-10 17:12:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007620441).
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 agm007620441
data_agm007620441
_cell_length_a 4.32673
_cell_length_b 4.32800
_cell_length_c 10.19903
_cell_angle_alpha 90.01234
_cell_angle_beta 101.67081
_cell_angle_gamma 120.04070
_cell_volume 160.75030
_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 0.00000 0.50000 0.50000 1.00000
Al1 Al 0.18979 0.09519 0.27626 1.00000
Al2 Al 0.81021 0.90481 0.72374 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
H1 H 0.31357 0.15703 0.46967 1.00000
H2 H 0.59058 0.12700 0.29420 1.00000
H3 H 0.68643 0.84297 0.53033 1.00000
H4 H 0.17500 0.46398 0.29426 1.00000
H5 H 0.82500 0.53602 0.70574 1.00000
H6 H 0.83836 0.71094 0.29446 1.00000
H7 H 0.16164 0.28906 0.70554 1.00000
H8 H 0.40942 0.87300 0.70580 1.00000
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