U2Ga2H5
Alexandria ALEXAlex-ID: agm007138581 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_129_spg46
UGa3 Ga UH3
2024-01-27 18:01:52.240184
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007138581).
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 agm007138581
data_agm007138581
_cell_length_a 8.74730
_cell_length_b 8.74730
_cell_length_c 8.74730
_cell_angle_alpha 153.06401
_cell_angle_beta 133.53617
_cell_angle_gamma 54.52656
_cell_volume 218.63017
_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
U1 U 0.20912 0.64269 0.56643 1.00000
U2 U 0.79088 0.35731 0.43357 1.00000
U3 U 0.57626 0.14269 0.43357 1.00000
U4 U 0.42374 0.85731 0.56643 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Ga2 Ga 0.50000 0.50000 0.00000 1.00000
Ga3 Ga 0.10136 0.25000 0.85136 1.00000
Ga4 Ga 0.89864 0.75000 0.14864 1.00000
H1 H 0.70116 0.70116 0.50000 1.00000
H2 H 0.29884 0.79884 0.00000 1.00000
H3 H 0.70116 0.20116 0.00000 1.00000
H4 H 0.29884 0.29884 0.50000 1.00000
H5 H 0.03108 0.11998 0.91110 1.00000
H6 H 0.96892 0.88002 0.08890 1.00000
H7 H 0.70889 0.61998 0.08890 1.00000
H8 H 0.29111 0.38002 0.91110 1.00000
H9 H 0.50000 0.50000 0.50000 1.00000
H10 H 0.50000 0.00000 0.00000 1.00000
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