Tl2HPd6
Alexandria ALEXAlex-ID: agm005809759 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1731_spg139
TlPd3 TlHPd3
2023-07-07 09:59:37.285876
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809759).
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 agm005809759
data_agm005809759
_cell_length_a 5.80087
_cell_length_b 5.80087
_cell_length_c 5.80064
_cell_angle_alpha 60.00083
_cell_angle_beta 60.00083
_cell_angle_gamma 59.99719
_cell_volume 138.02070
_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 0.24999 0.24999 0.24993 1.00000
Tl2 Tl 0.75001 0.75001 0.75007 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.24859 0.24859 0.75112 1.00000
Pd2 Pd 0.24876 0.75146 0.24854 1.00000
Pd3 Pd 0.75124 0.24854 0.75146 1.00000
Pd4 Pd 0.75146 0.24876 0.24854 1.00000
Pd5 Pd 0.24854 0.75124 0.75146 1.00000
Pd6 Pd 0.75141 0.75141 0.24888 1.00000
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