Ti3(Cu2Ni)2
Alexandria ALEXAlex-ID: agm011908583 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_142_spg12
Ti3(Cu2Ni)2
2025-03-13 02:39:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011908583).
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 agm011908583
data_agm011908583
_cell_length_a 4.45629
_cell_length_b 4.55994
_cell_length_c 7.02169
_cell_angle_alpha 81.20104
_cell_angle_beta 107.94758
_cell_angle_gamma 119.26220
_cell_volume 118.41845
_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 0.33804 0.01631 0.65960 1.00000
Ti2 Ti 0.00000 0.00000 0.00000 1.00000
Ti3 Ti 0.66196 0.98369 0.34040 1.00000
Cu1 Cu 0.66927 0.33952 0.99920 1.00000
Cu2 Cu 0.01204 0.35510 0.66835 1.00000
Cu3 Cu 0.98796 0.64490 0.33165 1.00000
Cu4 Cu 0.33073 0.66048 0.00080 1.00000
Ni1 Ni 0.32162 0.31159 0.33209 1.00000
Ni2 Ni 0.67838 0.68841 0.66791 1.00000
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