ReTcNi4
Alexandria ALEXAlex-ID: agm005755285 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1153_spg71
Tc3Ni Re3Ni ReNi4
2023-07-30 21:46:42.869032
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755285).
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 agm005755285
data_agm005755285
_cell_length_a 4.77853
_cell_length_b 4.77853
_cell_length_c 8.12999
_cell_angle_alpha 64.90858
_cell_angle_beta 115.09159
_cell_angle_gamma 116.34403
_cell_volume 144.15987
_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 0.99998 0.99998 0.25000 1.00000
Re2 Re 0.00002 0.00002 0.75000 1.00000
Tc1 Tc 0.49998 0.49998 0.25000 1.00000
Tc2 Tc 0.50002 0.50002 0.75000 1.00000
Ni1 Ni 0.08279 0.41619 0.91654 1.00000
Ni2 Ni 0.91721 0.58381 0.08346 1.00000
Ni3 Ni 0.41619 0.08279 0.58346 1.00000
Ni4 Ni 0.58381 0.91721 0.41654 1.00000
Ni5 Ni 0.91727 0.58365 0.58357 1.00000
Ni6 Ni 0.41635 0.08273 0.08357 1.00000
Ni7 Ni 0.58365 0.91727 0.91643 1.00000
Ni8 Ni 0.08273 0.41635 0.41643 1.00000
Get direct link