Tl4H5Pd2
Alexandria ALEXAlex-ID: agm005683760 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_866_spg10
TlH3 TlHPd3 Tl
2023-06-21 15:24:04.090569
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683760).
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 agm005683760
data_agm005683760
_cell_length_a 3.52522
_cell_length_b 6.92573
_cell_length_c 7.53222
_cell_angle_alpha 89.66431
_cell_angle_beta 90.00004
_cell_angle_gamma 89.99996
_cell_volume 183.89414
_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
Tl1 Tl 0.50000 0.30058 0.63639 1.00000
Tl2 Tl 0.50000 0.73091 0.91080 1.00000
Tl3 Tl 0.50000 0.69942 0.36361 1.00000
Tl4 Tl 0.50000 0.26909 0.08920 1.00000
H1 H 0.00000 0.28058 0.42002 1.00000
H2 H 1.00000 0.88084 0.17904 1.00000
H3 H 0.00000 0.50000 0.00000 1.00000
H4 H 0.00000 0.11916 0.82096 1.00000
H5 H 1.00000 0.71942 0.57998 1.00000
Pd1 Pd 0.00000 0.93181 0.67893 1.00000
Pd2 Pd 1.00000 0.06819 0.32107 1.00000
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