La2U(H4Rh)3
Alexandria ALEXAlex-ID: agm006484166 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_99_spg166
UH3 LaH5Rh URh3
2024-02-26 10:35:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006484166).
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 agm006484166
data_agm006484166
_cell_length_a 5.70415
_cell_length_b 6.11651
_cell_length_c 6.63704
_cell_angle_alpha 91.97708
_cell_angle_beta 119.46337
_cell_angle_gamma 107.44808
_cell_volume 187.66554
_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
La1 La 0.21923 0.34255 0.57255 1.00000
La2 La 0.61137 0.63365 0.23749 1.00000
U1 U 0.03242 0.93767 0.96861 1.00000
H1 H 0.33688 0.69143 0.41305 1.00000
H2 H 0.35374 0.24518 0.93770 1.00000
H3 H 0.16981 0.96334 0.39015 1.00000
H4 H 0.17035 0.63708 0.83690 1.00000
H5 H 0.70607 0.58333 0.91341 1.00000
H6 H 0.51954 0.01809 0.25267 1.00000
H7 H 0.65475 0.30464 0.57145 1.00000
H8 H 0.86853 0.01107 0.19760 1.00000
H9 H 0.85175 0.96737 0.58759 1.00000
H10 H 0.81596 0.36836 0.26725 1.00000
H11 H 0.14536 0.34524 0.13020 1.00000
H12 H 0.49110 0.91733 0.78910 1.00000
Rh1 Rh 0.51495 0.97695 0.52354 1.00000
Rh2 Rh 0.92496 0.43292 0.87122 1.00000
Rh3 Rh 0.61322 0.12383 0.03954 1.00000
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