U2Ga2H5
Alexandria ALEXAlex-ID: agm007018944 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_972_spg2
UGa3 Ga UH3
2024-10-21 21:18:34.834334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007018944).
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 agm007018944
data_agm007018944
_cell_length_a 4.22490
_cell_length_b 4.16773
_cell_length_c 6.38076
_cell_angle_alpha 117.87340
_cell_angle_beta 81.05913
_cell_angle_gamma 89.18791
_cell_volume 97.62575
_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 0.31682 0.74926 0.67813 1.00000
U2 U 0.68318 0.25074 0.32187 1.00000
Ga1 Ga 0.22241 0.61184 0.13945 1.00000
Ga2 Ga 0.77759 0.38816 0.86055 1.00000
H1 H 0.60832 0.78626 0.38379 1.00000
H2 H 0.39168 0.21374 0.61621 1.00000
H3 H 0.82959 0.72685 0.60709 1.00000
H4 H 0.17041 0.27315 0.39291 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
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