UGa(H4Pd)2
Alexandria ALEXAlex-ID: agm007451445 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2725_spg1
U4H15 GaPd2 H2
2025-06-11 22:09:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007451445).
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 agm007451445
data_agm007451445
_cell_length_a 4.17106
_cell_length_b 6.01655
_cell_length_c 4.86387
_cell_angle_alpha 112.64038
_cell_angle_beta 90.12698
_cell_angle_gamma 110.17941
_cell_volume 104.44755
_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 0.50394 0.00078 0.50112 1.00000
Ga1 Ga 0.05765 0.99862 0.99945 1.00000
H1 H 0.05735 0.10174 0.68813 1.00000
H2 H 0.40359 0.58488 0.12671 1.00000
H3 H 0.95580 0.89952 0.31340 1.00000
H4 H 0.82066 0.41736 0.87514 1.00000
H5 H 0.80307 0.19305 0.20390 1.00000
H6 H 0.03432 0.64473 0.52148 1.00000
H7 H 0.38807 0.35418 0.47792 1.00000
H8 H 0.61085 0.80579 0.79350 1.00000
Pd1 Pd 0.64171 0.41965 0.21085 1.00000
Pd2 Pd 0.22299 0.57971 0.78840 1.00000
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