TmMg(H4Pd)2
Alexandria ALEXAlex-ID: agm007459934 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_376_spg2
TmH3 Mg(HPd)2 H2
2025-05-27 08:07:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007459934).
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 agm007459934
data_agm007459934
_cell_length_a 4.55591
_cell_length_b 4.81275
_cell_length_c 5.88364
_cell_angle_alpha 105.36274
_cell_angle_beta 92.91255
_cell_angle_gamma 112.26631
_cell_volume 113.45706
_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
Tm1 Tm 0.50000 0.00000 0.50000 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
H1 H 0.99023 0.19404 0.72556 1.00000
H2 H 0.44644 0.66984 0.12955 1.00000
H3 H 0.00977 0.80596 0.27444 1.00000
H4 H 0.55356 0.33016 0.87045 1.00000
H5 H 0.83709 0.24600 0.27101 1.00000
H6 H 0.16291 0.75400 0.72899 1.00000
H7 H 0.32125 0.26000 0.30391 1.00000
H8 H 0.67875 0.74000 0.69609 1.00000
Pd1 Pd 0.65599 0.47846 0.21984 1.00000
Pd2 Pd 0.34401 0.52154 0.78016 1.00000
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