CsH4Au
Alexandria ALEXAlex-ID: agm007357782 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_239_spg65
CsH6Au CsH2Au
2024-02-08 06:36:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007357782).
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
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# CIF generated by HEAS from Alexandria entry agm007357782
data_agm007357782
_cell_length_a 5.35673
_cell_length_b 6.12873
_cell_length_c 6.33597
_cell_angle_alpha 89.12469
_cell_angle_beta 89.96260
_cell_angle_gamma 89.92870
_cell_volume 207.98524
_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 0.50033 0.24982 0.74929 1.00000
Cs2 Cs 0.49967 0.75018 0.25071 1.00000
H1 H 0.69198 0.25026 0.24874 1.00000
H2 H 0.99943 0.74669 0.49169 1.00000
H3 H 0.00021 0.24711 0.98877 1.00000
H4 H 0.30869 0.25014 0.24844 1.00000
H5 H 0.30802 0.74974 0.75126 1.00000
H6 H 0.00057 0.25331 0.50831 1.00000
H7 H 0.99979 0.75289 0.01123 1.00000
H8 H 0.69131 0.74986 0.75156 1.00000
Au1 Au 0.00034 0.25024 0.24854 1.00000
Au2 Au 0.99966 0.74976 0.75146 1.00000
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