TiNi4
Alexandria ALEXAlex-ID: agm005229136 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4_32_spg166
TiNi3 Ni
2023-04-20 20:27:21.416616
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005229136).
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 agm005229136
data_agm005229136
_cell_length_a 2.57080
_cell_length_b 2.57080
_cell_length_c 10.49163
_cell_angle_alpha 90.00000
_cell_angle_beta 97.03738
_cell_angle_gamma 120.00000
_cell_volume 59.44589
_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
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.80595 0.40298 0.20893 1.00000
Ni2 Ni 0.60292 0.80146 0.40438 1.00000
Ni3 Ni 0.39708 0.19854 0.59562 1.00000
Ni4 Ni 0.19405 0.59702 0.79107 1.00000
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