Ti7Ni4
Alexandria ALEXAlex-ID: agm008819850 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B7_244_spg1
TiNi Ti2Ni
2024-03-21 21:05:10.395511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008819850).
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 agm008819850
data_agm008819850
_cell_length_a 8.10785
_cell_length_b 8.10785
_cell_length_c 8.10785
_cell_angle_alpha 158.82777
_cell_angle_beta 119.66103
_cell_angle_gamma 64.69944
_cell_volume 166.28667
_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 0.38189 0.38189 0.00000 1.00000
Ti2 Ti 0.61811 0.61811 0.00000 1.00000
Ti3 Ti 0.00000 0.50000 0.50000 1.00000
Ti4 Ti 0.96264 0.15935 0.80329 1.00000
Ti5 Ti 0.64394 0.84065 0.80329 1.00000
Ti6 Ti 0.03736 0.84065 0.19671 1.00000
Ti7 Ti 0.35606 0.15935 0.19671 1.00000
Ni1 Ni 0.76417 0.26417 0.50000 1.00000
Ni2 Ni 0.23583 0.73583 0.50000 1.00000
Ni3 Ni 0.33599 0.00000 0.33599 1.00000
Ni4 Ni 0.66401 0.00000 0.66401 1.00000
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