Ti7Ni5Pd
Alexandria ALEXAlex-ID: agm003679082 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_34_spg44
TiNi Ti2Pd
2022-04-10 08:52:27.587028
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679082).
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 agm003679082
data_agm003679082
_cell_length_a 4.94076
_cell_length_b 6.64266
_cell_length_c 6.64266
_cell_angle_alpha 80.66072
_cell_angle_beta 68.16741
_cell_angle_gamma 68.16741
_cell_volume 187.78579
_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 0.55639 0.44361 0.44361 1.00000
Ti2 Ti 0.21057 0.78943 0.78943 1.00000
Ti3 Ti 0.01576 0.29816 0.67033 1.00000
Ti4 Ti 0.01576 0.67033 0.29816 1.00000
Ti5 Ti 0.27508 0.22492 0.22492 1.00000
Ti6 Ti 0.54975 0.78778 0.11273 1.00000
Ti7 Ti 0.54975 0.11273 0.78778 1.00000
Ni1 Ni 0.52581 0.97728 0.46748 1.00000
Ni2 Ni 0.02943 0.97728 0.46748 1.00000
Ni3 Ni 0.52581 0.46748 0.97728 1.00000
Ni4 Ni 0.02943 0.46748 0.97728 1.00000
Ni5 Ni 0.80031 0.69969 0.69969 1.00000
Pd1 Pd 0.91615 0.08385 0.08385 1.00000
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