AlAgH3
Alexandria ALEXAlex-ID: agm007305102 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_9999_spg1
Ag AlH3
2024-02-10 12:44:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007305102).
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 agm007305102
data_agm007305102
_cell_length_a 5.24457
_cell_length_b 4.92720
_cell_length_c 6.06702
_cell_angle_alpha 69.28276
_cell_angle_beta 49.42187
_cell_angle_gamma 72.46814
_cell_volume 110.81683
_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
Al1 Al 0.09196 0.85121 0.99585 1.00000
Al2 Al 0.40751 0.45600 0.56292 1.00000
Ag1 Ag 0.93272 0.86282 0.64209 1.00000
Ag2 Ag 0.42271 0.24562 0.09828 1.00000
H1 H 0.77108 0.66008 0.31623 1.00000
H2 H 0.09008 0.00676 0.23090 1.00000
H3 H 0.10417 0.19506 0.80543 1.00000
H4 H 0.48528 0.68663 0.87090 1.00000
H5 H 0.63596 0.23318 0.69313 1.00000
H6 H 0.56453 0.30161 0.28031 1.00000
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