CoReNi3
Alexandria ALEXAlex-ID: agm005874209 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_2808_spg166
ReNi4 Co3Ni Re3Ni
2023-07-03 10:38:27.562440
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005874209).
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 agm005874209
data_agm005874209
_cell_length_a 4.94187
_cell_length_b 4.94186
_cell_length_c 4.66007
_cell_angle_alpha 57.97862
_cell_angle_beta 57.97862
_cell_angle_gamma 60.00000
_cell_volume 77.92752
_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
Co1 Co 0.97499 0.97499 0.07502 1.00000
Re1 Re 0.47500 0.47500 0.57500 1.00000
Ni1 Ni 0.47500 0.97501 0.57499 1.00000
Ni2 Ni 0.97501 0.47500 0.57499 1.00000
Ni3 Ni 0.97501 0.97501 0.57499 1.00000
