Ga3Ag2H9
Alexandria ALEXAlex-ID: agm006193012 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_1269_spg1
GaH9 Ga4Ag3 GaAg3
2024-02-02 00:24:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006193012).
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 agm006193012
data_agm006193012
_cell_length_a 7.61730
_cell_length_b 7.11291
_cell_length_c 10.69507
_cell_angle_alpha 59.48972
_cell_angle_beta 26.88983
_cell_angle_gamma 76.08230
_cell_volume 189.34648
_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 0.13118 0.32048 0.97617 1.00000
Ag2 Ag 0.69195 0.61288 0.15944 1.00000
Ga1 Ga 0.06835 0.99217 0.62564 1.00000
Ga2 Ga 0.04916 0.80285 0.12389 1.00000
Ga3 Ga 0.67366 0.36148 0.85265 1.00000
H1 H 0.67247 0.48693 0.48181 1.00000
H2 H 0.86111 0.95497 0.27139 1.00000
H3 H 0.76344 0.17474 0.77135 1.00000
H4 H 0.06986 0.88782 0.93395 1.00000
H5 H 0.53358 0.86102 0.84158 1.00000
H6 H 0.39457 0.17796 0.21305 1.00000
H7 H 0.14586 0.62651 0.51110 1.00000
H8 H 0.59865 0.30236 0.27235 1.00000
H9 H 0.34616 0.43784 0.96563 1.00000
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