Re3Ni4
Alexandria ALEXAlex-ID: agm005486931 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_106_spg139
ReNi4 Re3Ni
2023-03-18 00:58:57.640378
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005486931).
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 agm005486931
data_agm005486931
_cell_length_a 9.59902
_cell_length_b 9.59902
_cell_length_c 9.59902
_cell_angle_alpha 161.53449
_cell_angle_beta 161.53449
_cell_angle_gamma 26.22976
_cell_volume 88.69873
_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 0.00000 0.00000 0.00000 1.00000
Re2 Re 0.71143 0.71143 0.00000 1.00000
Re3 Re 0.28857 0.28857 0.00000 1.00000
Ni1 Ni 0.86589 0.86589 0.00000 1.00000
Ni2 Ni 0.57188 0.57188 0.00000 1.00000
Ni3 Ni 0.42812 0.42812 0.00000 1.00000
Ni4 Ni 0.13411 0.13411 0.00000 1.00000
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