CsH2Au
Alexandria ALEXAlex-ID: agm074845587 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_12688_spg1
CsH2Au
2025-02-26 11:44:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm074845587).
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 agm074845587
data_agm074845587
_cell_length_a 5.70319
_cell_length_b 6.93376
_cell_length_c 9.49779
_cell_angle_alpha 113.09930
_cell_angle_beta 73.77432
_cell_angle_gamma 112.80056
_cell_volume 314.86388
_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
Cs1 Cs 0.72712 0.27913 0.10964 1.00000
Cs2 Cs 0.55514 0.56711 0.75070 1.00000
Cs3 Cs 0.90407 0.97404 0.45890 1.00000
H1 H 0.33564 0.46348 0.05467 1.00000
H2 H 0.56427 0.03220 0.77655 1.00000
H3 H 0.48250 0.52591 0.44127 1.00000
H4 H 0.96757 0.00723 0.78572 1.00000
H5 H 0.47791 0.97369 0.30414 1.00000
H6 H 0.89295 0.51206 0.44498 1.00000
Au1 Au 0.40463 0.71648 0.18220 1.00000
Au2 Au 0.26429 0.01417 0.77912 1.00000
Au3 Au 0.19154 0.52818 0.44363 1.00000
Get direct link