Ac2CuRh2
Alexandria ALEXAlex-ID: agm003400596 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1396_spg15
Cu AcRh
2022-02-10 07:28:49.885893
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003400596).
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 agm003400596
data_agm003400596
_cell_length_a 5.72009
_cell_length_b 5.95472
_cell_length_c 8.12888
_cell_angle_alpha 103.38802
_cell_angle_beta 90.00000
_cell_angle_gamma 118.70492
_cell_volume 234.23995
_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
Ac1 Ac 0.50404 0.29440 0.15129 1.00000
Ac2 Ac 0.20964 0.70560 0.34871 1.00000
Ac3 Ac 0.49596 0.70560 0.84871 1.00000
Ac4 Ac 0.79036 0.29440 0.65129 1.00000
Cu1 Cu 0.86017 1.00000 0.25000 1.00000
Cu2 Cu 0.13983 0.00000 0.75000 1.00000
Rh1 Rh 0.73683 0.74171 0.48891 1.00000
Rh2 Rh 0.99512 0.25829 0.01109 1.00000
Rh3 Rh 0.26317 0.25829 0.51109 1.00000
Rh4 Rh 0.00488 0.74171 0.98891 1.00000
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