Cs4AgH2
Alexandria ALEXAlex-ID: agm096606969 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_44_spg2
Cs Ag CsH
2025-04-10 19:37:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096606969).
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 agm096606969
data_agm096606969
_cell_length_a 4.63637
_cell_length_b 8.97601
_cell_length_c 8.93890
_cell_angle_alpha 102.49775
_cell_angle_beta 104.63029
_cell_angle_gamma 104.29788
_cell_volume 333.01625
_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 0.01509 0.41506 0.38222 1.00000
Cs2 Cs 0.46734 0.93096 0.70121 1.00000
Cs3 Cs 0.69445 0.90081 0.19973 1.00000
Cs4 Cs 0.86328 0.48569 0.94130 1.00000
Ag1 Ag 0.22844 0.14350 0.02776 1.00000
H1 H 0.06628 0.89861 0.93517 1.00000
H2 H 0.16512 0.72537 0.31261 1.00000
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