Ti5Pd7
Alexandria ALEXAlex-ID: agm003293133 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B7_117_spg12
Ti3Pd5 Ti2Pd
2022-01-17 07:42:56.240588
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003293133).
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 agm003293133
data_agm003293133
_cell_length_a 2.83757
_cell_length_b 7.13734
_cell_length_c 9.74466
_cell_angle_alpha 92.42012
_cell_angle_beta 90.00000
_cell_angle_gamma 101.46582
_cell_volume 193.23751
_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 0.13256 0.26512 0.37003 1.00000
Ti2 Ti 0.86744 0.73488 0.62997 1.00000
Ti3 Ti 0.31504 0.63007 0.13434 1.00000
Ti4 Ti 0.68496 0.36993 0.86566 1.00000
Ti5 Ti 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.20835 0.41670 0.61991 1.00000
Pd2 Pd 0.79165 0.58330 0.38009 1.00000
Pd3 Pd 0.96281 0.92562 0.24883 1.00000
Pd4 Pd 0.03719 0.07438 0.75117 1.00000
Pd5 Pd 0.64599 0.29198 0.13402 1.00000
Pd6 Pd 0.50000 0.00000 0.50000 1.00000
Pd7 Pd 0.35401 0.70802 0.86598 1.00000
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