Cs5AgH6
Alexandria ALEXAlex-ID: agm003676715 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_66_spg12
Cs2AgH3 CsH
2022-04-09 21:36:47.971481
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676715).
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 agm003676715
data_agm003676715
_cell_length_a 7.50022
_cell_length_b 7.63088
_cell_length_c 7.58865
_cell_angle_alpha 59.81573
_cell_angle_beta 82.74672
_cell_angle_gamma 75.45655
_cell_volume 363.40456
_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 0.50000 0.15428 0.69145 1.00000
Cs2 Cs 0.00000 0.29980 0.40040 1.00000
Cs3 Cs 0.50000 0.50000 0.00000 1.00000
Cs4 Cs 1.00000 0.70020 0.59960 1.00000
Cs5 Cs 0.50000 0.84572 0.30855 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
H1 H 0.71322 0.10720 0.36110 1.00000
H2 H 0.28678 0.53170 0.36110 1.00000
H3 H 0.13834 0.15071 0.00000 1.00000
H4 H 0.86166 0.84929 1.00000 1.00000
H5 H 0.71322 0.46830 0.63890 1.00000
H6 H 0.28678 0.89280 0.63890 1.00000
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