Ti(HPd2)2
Alexandria ALEXAlex-ID: agm096792644 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1883_spg2
H4Pd HPd TiPd3
2025-04-10 19:32:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096792644).
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
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# CIF generated by HEAS from Alexandria entry agm096792644
data_agm096792644
_cell_length_a 2.83029
_cell_length_b 4.39463
_cell_length_c 7.05858
_cell_angle_alpha 72.01723
_cell_angle_beta 89.96675
_cell_angle_gamma 89.99424
_cell_volume 83.50631
_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 0.35708 0.96133 0.10025 1.00000
H1 H 0.85720 0.13256 0.86720 1.00000
H2 H 0.85713 0.61006 0.15592 1.00000
Pd1 Pd 0.35689 0.34457 0.29721 1.00000
Pd2 Pd 0.35747 0.14319 0.69900 1.00000
Pd3 Pd 0.85673 0.76527 0.47089 1.00000
Pd4 Pd 0.85749 0.54302 0.90954 1.00000
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