Ta2SiNi2
Alexandria ALEXAlex-ID: agm005407606 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_106_spg139
TaSiNi Ta4SiNi TaNi3
2023-03-17 21:31:06.057710
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005407606).
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 agm005407606
data_agm005407606
_cell_length_a 7.57616
_cell_length_b 7.57616
_cell_length_c 7.57616
_cell_angle_alpha 155.40585
_cell_angle_beta 155.40585
_cell_angle_gamma 35.05937
_cell_volume 75.23779
_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
Ta1 Ta 0.60867 0.60867 0.00000 1.00000
Ta2 Ta 0.39133 0.39133 0.00000 1.00000
Si1 Si 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.25000 0.75000 0.50000 1.00000
Ni2 Ni 0.75000 0.25000 0.50000 1.00000
Get direct link