U4AsRh12
Alexandria ALEXAlex-ID: agm006018407 · Space group: Im-3m (#229)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_32_spg229
U3(AsRh)4 URh3 As2Rh
2023-08-07 15:53:57.783457
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006018407).
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 agm006018407
data_agm006018407
_cell_length_a 7.16018
_cell_length_b 7.16018
_cell_length_c 7.16018
_cell_angle_alpha 109.47123
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 282.58586
_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 0.00000 0.00000 0.50000 1.00000
U2 U 0.50000 0.00000 0.00000 1.00000
U3 U 0.50000 0.50000 0.50000 1.00000
U4 U 0.00000 0.50000 0.00000 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 1.00000 0.28385 0.28385 1.00000
Rh2 Rh 0.00000 0.71615 0.71615 1.00000
Rh3 Rh 0.71615 0.71615 0.00000 1.00000
Rh4 Rh 0.28385 0.28385 1.00000 1.00000
Rh5 Rh 0.28385 0.00000 0.28385 1.00000
Rh6 Rh 0.71615 1.00000 0.71615 1.00000
Rh7 Rh 0.50000 0.25000 0.75000 1.00000
Rh8 Rh 0.50000 0.75000 0.25000 1.00000
Rh9 Rh 0.75000 0.25000 0.50000 1.00000
Rh10 Rh 0.25000 0.75000 0.50000 1.00000
Rh11 Rh 0.75000 0.50000 0.25000 1.00000
Rh12 Rh 0.25000 0.50000 0.75000 1.00000
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