AgH3
Alexandria ALEXAlex-ID: agm098290372 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_6081_spg4
H2 Ag
2025-04-29 08:38:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098290372).
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 agm098290372
data_agm098290372
_cell_length_a 3.10842
_cell_length_b 5.06234
_cell_length_c 11.75007
_cell_angle_alpha 89.99771
_cell_angle_beta 89.97814
_cell_angle_gamma 90.02233
_cell_volume 184.89741
_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
Ag1 Ag 0.78584 0.48979 0.98899 1.00000
Ag2 Ag 0.71408 0.51016 0.50922 1.00000
Ag3 Ag 0.28596 0.98984 0.00934 1.00000
Ag4 Ag 0.21421 0.01025 0.48901 1.00000
H1 H 0.28554 0.90663 0.73118 1.00000
H2 H 0.18531 0.02409 0.21909 1.00000
H3 H 0.74809 0.52323 0.28719 1.00000
H4 H 0.70794 0.39736 0.76608 1.00000
H5 H 0.28598 0.31903 0.94123 1.00000
H6 H 0.21404 0.68118 0.55707 1.00000
H7 H 0.78577 0.81879 0.05712 1.00000
H8 H 0.71429 0.18090 0.44125 1.00000
H9 H 0.81489 0.47564 0.71893 1.00000
H10 H 0.71474 0.59325 0.23106 1.00000
H11 H 0.29225 0.10290 0.26605 1.00000
H12 H 0.25108 0.97696 0.78720 1.00000
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