TlH8Pd3
Alexandria ALEXAlex-ID: agm007601239 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_226_spg148
H4Pd TlH3 TlHPd3
2025-05-28 04:06:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007601239).
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 agm007601239
data_agm007601239
_cell_length_a 4.99215
_cell_length_b 5.47866
_cell_length_c 5.73763
_cell_angle_alpha 62.10421
_cell_angle_beta 63.14650
_cell_angle_gamma 61.96021
_cell_volume 116.88341
_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 0.50000 0.50000 1.00000
H1 H 0.82812 0.80128 0.54739 1.00000
H2 H 0.92342 0.35480 0.77063 1.00000
H3 H 0.17188 0.19872 0.45261 1.00000
H4 H 0.39530 0.91784 0.78542 1.00000
H5 H 0.60470 0.08216 0.21458 1.00000
H6 H 0.89392 0.92001 0.79664 1.00000
H7 H 0.10608 0.07999 0.20336 1.00000
H8 H 0.07658 0.64520 0.22937 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pd2 Pd 0.73258 0.66264 0.87892 1.00000
Pd3 Pd 0.26742 0.33736 0.12108 1.00000
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