UAl2H7Rh2
Alexandria ALEXAlex-ID: agm006939701 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_207_spg5
U4H15 H2 AlRh
2024-01-28 06:47:28.504493
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006939701).
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 agm006939701
data_agm006939701
_cell_length_a 4.14366
_cell_length_b 4.14366
_cell_length_c 8.11693
_cell_angle_alpha 76.62663
_cell_angle_beta 76.62663
_cell_angle_gamma 62.11173
_cell_volume 118.60658
_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 0.42880 0.57120 0.50000 1.00000
Al1 Al 0.90258 0.99660 0.19216 1.00000
Al2 Al 0.00340 0.09742 0.80784 1.00000
H1 H 0.08779 0.20328 0.55090 1.00000
H2 H 0.84847 0.41814 0.25905 1.00000
H3 H 0.38965 0.02251 0.24849 1.00000
H4 H 0.97749 0.61035 0.75151 1.00000
H5 H 0.58186 0.15153 0.74095 1.00000
H6 H 0.62366 0.37634 0.00000 1.00000
H7 H 0.79672 0.91221 0.44910 1.00000
Rh1 Rh 0.29113 0.43156 0.88536 1.00000
Rh2 Rh 0.56844 0.70887 0.11464 1.00000
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