Cr5Ni5Rh2
Alexandria ALEXAlex-ID: agm005666469 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
CrNi2 Cr CrRh2
2023-06-18 22:12:34.709575
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666469).
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 agm005666469
data_agm005666469
_cell_length_a 3.72399
_cell_length_b 7.53258
_cell_length_c 5.78867
_cell_angle_alpha 98.84060
_cell_angle_beta 71.23653
_cell_angle_gamma 75.68857
_cell_volume 144.08552
_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
Cr1 Cr 0.67948 0.24262 0.39842 1.00000
Cr2 Cr 0.00063 0.24142 0.75732 1.00000
Cr3 Cr 0.99937 0.75858 0.24268 1.00000
Cr4 Cr 0.32052 0.75738 0.60158 1.00000
Cr5 Cr 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.00000 0.50000 0.50000 1.00000
Ni2 Ni 0.66379 0.75925 0.91317 1.00000
Ni3 Ni 0.33087 0.00086 0.33739 1.00000
Ni4 Ni 0.66913 0.99914 0.66261 1.00000
Ni5 Ni 0.33621 0.24075 0.08683 1.00000
Rh1 Rh 0.34231 0.49381 0.82156 1.00000
Rh2 Rh 0.65769 0.50619 0.17844 1.00000
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