TcNi4
Alexandria ALEXAlex-ID: agm003298331 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_33_spg71
Tc3Ni Ni
2022-01-17 12:16:01.609652
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003298331).
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 agm003298331
data_agm003298331
_cell_length_a 2.54528
_cell_length_b 3.62686
_cell_length_c 6.65523
_cell_angle_alpha 105.81204
_cell_angle_beta 101.02421
_cell_angle_gamma 90.00000
_cell_volume 57.93295
_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
Tc1 Tc 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.60206 0.60206 0.20412 1.00000
Ni2 Ni 0.20032 0.20032 0.40064 1.00000
Ni3 Ni 0.79968 0.79968 0.59936 1.00000
Ni4 Ni 0.39794 0.39794 0.79588 1.00000
