ReNi3
Alexandria ALEXAlex-ID: agm005498301 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_6_spg139
ReNi4 Re3Ni
2023-03-19 02:53:05.156516
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005498301).
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
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# CIF generated by HEAS from Alexandria entry agm005498301
data_agm005498301
_cell_length_a 7.73650
_cell_length_b 7.73650
_cell_length_c 7.73650
_cell_angle_alpha 153.08718
_cell_angle_beta 153.08718
_cell_angle_gamma 38.42774
_cell_volume 94.71419
_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
Re1 Re 0.37317 0.37317 0.00000 1.00000
Re2 Re 0.62683 0.62683 0.00000 1.00000
Ni1 Ni 0.50000 0.00000 0.50000 1.00000
Ni2 Ni 0.12279 0.12279 0.00000 1.00000
Ni3 Ni 0.87721 0.87721 0.00000 1.00000
Ni4 Ni 0.75000 0.25000 0.50000 1.00000
Ni5 Ni 0.25000 0.75000 0.50000 1.00000
Ni6 Ni 0.00000 0.50000 0.50000 1.00000
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