Cu(NiRh4)2
Alexandria ALEXAlex-ID: agm005990040 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_280_spg71
Cu Ni Rh
2023-09-27 17:52:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990040).
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 agm005990040
data_agm005990040
_cell_length_a 3.96595
_cell_length_b 6.72359
_cell_length_c 6.92991
_cell_angle_alpha 119.01991
_cell_angle_beta 106.62744
_cell_angle_gamma 90.00000
_cell_volume 152.69267
_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
Cu1 Cu 0.50000 0.00000 0.00000 1.00000
Ni1 Ni 0.19884 0.69884 0.39768 1.00000
Ni2 Ni 0.80116 0.30116 0.60232 1.00000
Rh1 Rh 0.65351 0.86787 0.30702 1.00000
Rh2 Rh 0.34649 0.56085 0.69298 1.00000
Rh3 Rh 0.15125 0.15125 0.30250 1.00000
Rh4 Rh 0.00000 0.30418 1.00000 1.00000
Rh5 Rh 0.84875 0.84875 0.69750 1.00000
Rh6 Rh 0.65351 0.43915 0.30702 1.00000
Rh7 Rh 0.34649 0.13213 0.69298 1.00000
Rh8 Rh 1.00000 0.69582 0.00000 1.00000
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