Ti2CuPd4
Alexandria ALEXAlex-ID: agm003446014 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_900_spg11
TiCuPd2 Ti2CuPd3 TiPd3
2022-02-20 03:18:30.635167
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003446014).
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 agm003446014
data_agm003446014
_cell_length_a 6.51710
_cell_length_b 5.13709
_cell_length_c 7.30252
_cell_angle_alpha 90.00000
_cell_angle_beta 116.34855
_cell_angle_gamma 90.00000
_cell_volume 219.08188
_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 0.80391 0.75000 0.02036 1.00000
Ti2 Ti 0.19609 0.25000 0.97964 1.00000
Ti3 Ti 0.34079 0.25000 0.44524 1.00000
Ti4 Ti 0.65921 0.75000 0.55476 1.00000
Cu1 Cu 0.24921 0.75000 0.21438 1.00000
Cu2 Cu 0.75079 0.25000 0.78562 1.00000
Pd1 Pd 0.58965 0.49573 0.22441 1.00000
Pd2 Pd 0.05937 0.75000 0.82285 1.00000
Pd3 Pd 0.94063 0.25000 0.17715 1.00000
Pd4 Pd 0.58965 0.00427 0.22441 1.00000
Pd5 Pd 0.96014 0.25000 0.57074 1.00000
Pd6 Pd 0.41035 0.99573 0.77559 1.00000
Pd7 Pd 0.41035 0.50427 0.77559 1.00000
Pd8 Pd 0.03986 0.75000 0.42926 1.00000
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