U5CoHRh2
Alexandria ALEXAlex-ID: agm007100964 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_78_spg36
UH3 UCo U URh
2024-07-10 06:58:36.880756
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007100964).
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 agm007100964
data_agm007100964
_cell_length_a 7.71624
_cell_length_b 7.71624
_cell_length_c 9.15437
_cell_angle_alpha 91.07367
_cell_angle_beta 91.07367
_cell_angle_gamma 144.75649
_cell_volume 313.92209
_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 0.62204 0.32175 0.00856 1.00000
U2 U 0.26516 0.64776 0.88182 1.00000
U3 U 0.54871 0.45326 0.67917 1.00000
U4 U 0.72170 0.24397 0.76713 1.00000
U5 U 0.17764 0.06626 0.46393 1.00000
U6 U 0.32175 0.62204 0.50856 1.00000
U7 U 0.64776 0.26516 0.38182 1.00000
U8 U 0.45326 0.54871 0.17917 1.00000
U9 U 0.24397 0.72170 0.26713 1.00000
U10 U 0.06626 0.17764 0.96393 1.00000
Co1 Co 0.14592 0.76542 0.58886 1.00000
Co2 Co 0.76542 0.14592 0.08886 1.00000
H1 H 0.54491 0.62088 0.92986 1.00000
H2 H 0.62088 0.54491 0.42986 1.00000
Rh1 Rh 0.08957 0.88476 0.83645 1.00000
Rh2 Rh 0.85767 0.02266 0.66819 1.00000
Rh3 Rh 0.88476 0.08957 0.33645 1.00000
Rh4 Rh 0.02266 0.85767 0.16819 1.00000
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