Cu3NiRh
Alexandria ALEXAlex-ID: agm005757950 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4822_spg12
Cu Ni Rh
2023-07-04 22:18:47.824543
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757950).
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 agm005757950
data_agm005757950
_cell_length_a 4.91706
_cell_length_b 6.21255
_cell_length_c 6.21250
_cell_angle_alpha 42.37138
_cell_angle_beta 105.40606
_cell_angle_gamma 105.40566
_cell_volume 122.59575
_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 0.22285 0.81177 0.98674 1.00000
Cu2 Cu 0.72284 0.98673 0.81177 1.00000
Cu3 Cu 0.12159 0.17943 0.00764 1.00000
Cu4 Cu 0.62159 0.00765 0.17942 1.00000
Cu5 Cu 0.41659 0.40854 0.57497 1.00000
Cu6 Cu 0.91658 0.57496 0.40854 1.00000
Ni1 Ni 0.51982 0.38052 0.21167 1.00000
Ni2 Ni 0.01983 0.21167 0.38052 1.00000
Rh1 Rh 0.31776 0.79120 0.60561 1.00000
Rh2 Rh 0.81775 0.60561 0.79120 1.00000
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