LaAg(H4Au)2
Alexandria ALEXAlex-ID: agm007571978 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
Ag7Au2 LaH3 La14Au51 H6Au
2025-06-11 21:36:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007571978).
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 agm007571978
data_agm007571978
_cell_length_a 4.64417
_cell_length_b 5.85388
_cell_length_c 6.79894
_cell_angle_alpha 58.14452
_cell_angle_beta 68.60214
_cell_angle_gamma 61.29005
_cell_volume 136.15203
_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 0.46858 0.50456 0.48487 1.00000
Ag1 Ag 0.94155 0.14360 0.98165 1.00000
H1 H 0.04344 0.47709 0.34586 1.00000
H2 H 0.20333 0.54010 0.89143 1.00000
H3 H 0.87390 0.42419 0.69282 1.00000
H4 H 0.62312 0.57485 0.09193 1.00000
H5 H 0.99803 0.96987 0.58641 1.00000
H6 H 0.14730 0.96362 0.24278 1.00000
H7 H 0.42740 0.01547 0.79749 1.00000
H8 H 0.66341 0.91978 0.25944 1.00000
Au1 Au 0.81491 0.77543 0.84063 1.00000
Au2 Au 0.29505 0.19145 0.28470 1.00000
Get direct link