Ti3CuPd2
Alexandria ALEXAlex-ID: agm017403000 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_819_spg62
TiCuPd Ti2Pd
2025-04-14 15:21:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017403000).
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 agm017403000
data_agm017403000
_cell_length_a 3.74081
_cell_length_b 8.73447
_cell_length_c 11.24785
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 367.51210
_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 0.25000 0.92165 0.56308 1.00000
Ti2 Ti 0.75000 0.07835 0.43692 1.00000
Ti3 Ti 0.75000 0.42165 0.93692 1.00000
Ti4 Ti 0.25000 0.57835 0.06308 1.00000
Ti5 Ti 0.25000 0.23948 0.81880 1.00000
Ti6 Ti 0.75000 0.76052 0.18120 1.00000
Ti7 Ti 0.75000 0.73948 0.68120 1.00000
Ti8 Ti 0.25000 0.26052 0.31880 1.00000
Ti9 Ti 0.25000 0.90590 0.82243 1.00000
Ti10 Ti 0.75000 0.09410 0.17757 1.00000
Ti11 Ti 0.75000 0.40590 0.67757 1.00000
Ti12 Ti 0.25000 0.59410 0.32243 1.00000
Cu1 Cu 0.25000 0.57413 0.55919 1.00000
Cu2 Cu 0.75000 0.42587 0.44081 1.00000
Cu3 Cu 0.75000 0.07413 0.94081 1.00000
Cu4 Cu 0.25000 0.92587 0.05919 1.00000
Pd1 Pd 0.25000 0.25140 0.05854 1.00000
Pd2 Pd 0.75000 0.74860 0.94146 1.00000
Pd3 Pd 0.75000 0.75140 0.44146 1.00000
Pd4 Pd 0.25000 0.24860 0.55854 1.00000
Pd5 Pd 0.25000 0.57849 0.80257 1.00000
Pd6 Pd 0.75000 0.42151 0.19743 1.00000
Pd7 Pd 0.75000 0.07849 0.69743 1.00000
Pd8 Pd 0.25000 0.92151 0.30257 1.00000
