NaLa2(H3Au)2
Alexandria ALEXAlex-ID: agm006435554 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_26_spg166
LaH3 NaAu2
2025-05-27 03:56:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006435554).
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 agm006435554
data_agm006435554
_cell_length_a 4.99114
_cell_length_b 4.99113
_cell_length_c 7.01033
_cell_angle_alpha 74.51459
_cell_angle_beta 74.51538
_cell_angle_gamma 64.05761
_cell_volume 149.04905
_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
Na1 Na 0.00000 0.00000 0.00000 1.00000
La1 La 0.21139 0.21139 0.34308 1.00000
La2 La 0.78861 0.78861 0.65692 1.00000
H1 H 0.82965 0.28148 0.64091 1.00000
H2 H 0.28269 0.28268 0.69062 1.00000
H3 H 0.28148 0.82965 0.64091 1.00000
H4 H 0.71852 0.17035 0.35909 1.00000
H5 H 0.71731 0.71732 0.30938 1.00000
H6 H 0.17035 0.71852 0.35909 1.00000
Au1 Au 0.60417 0.60418 0.12678 1.00000
Au2 Au 0.39583 0.39582 0.87322 1.00000
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