YTl(H4Pd)2
Alexandria ALEXAlex-ID: agm007448593 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_305_spg12
TlH3 H4Pd TlHPd3 YH3
2025-05-28 06:02:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007448593).
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 agm007448593
data_agm007448593
_cell_length_a 4.53372
_cell_length_b 4.88923
_cell_length_c 7.56688
_cell_angle_alpha 91.02165
_cell_angle_beta 107.20376
_cell_angle_gamma 117.69813
_cell_volume 139.45346
_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
Y1 Y 0.50687 0.50115 0.50007 1.00000
Tl1 Tl 0.36685 0.99495 0.99931 1.00000
H1 H 0.05539 0.01242 0.57706 1.00000
H2 H 0.14369 0.53660 0.65609 1.00000
H3 H 0.06337 0.15330 0.24173 1.00000
H4 H 0.58778 0.62711 0.20017 1.00000
H5 H 0.95591 0.46351 0.33990 1.00000
H6 H 0.75224 0.37132 0.79888 1.00000
H7 H 0.67124 0.84773 0.76096 1.00000
H8 H 0.46930 0.99081 0.42537 1.00000
Pd1 Pd 0.02591 0.81553 0.30637 1.00000
Pd2 Pd 0.90145 0.18557 0.69411 1.00000
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