Cu2Ni3Rh4
Alexandria ALEXAlex-ID: agm005674563 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_840_spg12
Cu Ni Rh
2023-06-27 17:35:57.041863
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674563).
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 agm005674563
data_agm005674563
_cell_length_a 2.63492
_cell_length_b 7.05289
_cell_length_c 8.39887
_cell_angle_alpha 49.54957
_cell_angle_beta 99.02485
_cell_angle_gamma 90.00010
_cell_volume 116.22324
_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 0.34065 0.11812 0.68129 1.00000
Cu2 Cu 0.65935 0.88188 0.31871 1.00000
Ni1 Ni 0.82646 0.44212 0.65292 1.00000
Ni2 Ni 0.17354 0.55788 0.34708 1.00000
Ni3 Ni 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.48140 0.34578 0.96280 1.00000
Rh2 Rh 0.83867 0.79350 0.67733 1.00000
Rh3 Rh 0.51860 0.65422 0.03720 1.00000
Rh4 Rh 0.16133 0.20650 0.32267 1.00000
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