LaH6Au
Alexandria ALEXAlex-ID: agm079384510 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_598_spg12
H6Au LaH3 La14Au51
2025-06-13 14:12:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079384510).
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 agm079384510
data_agm079384510
_cell_length_a 4.76221
_cell_length_b 4.77252
_cell_length_c 4.83185
_cell_angle_alpha 62.67527
_cell_angle_beta 62.77424
_cell_angle_gamma 69.48770
_cell_volume 85.37346
_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 0.94648 0.05710 0.06157 1.00000
H1 H 0.49718 0.88632 0.60745 1.00000
H2 H 0.75140 0.57945 0.16884 1.00000
H3 H 0.99912 0.99263 0.56740 1.00000
H4 H 0.42424 0.25349 0.95278 1.00000
H5 H 0.11800 0.50236 0.51357 1.00000
H6 H 0.84786 0.14063 0.56881 1.00000
Au1 Au 0.41572 0.58801 0.55958 1.00000
Get direct link