Tm(H4Pd)3
Alexandria ALEXAlex-ID: agm007308463 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C12_1051_spg8
Tm(HPd)4 H4Pd TmH3
2025-05-28 23:52:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007308463).
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 agm007308463
data_agm007308463
_cell_length_a 5.84940
_cell_length_b 5.84940
_cell_length_c 5.53854
_cell_angle_alpha 85.29416
_cell_angle_beta 94.70584
_cell_angle_gamma 99.46182
_cell_volume 185.84172
_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 0.10498 0.89502 0.90706 1.00000
H1 H 0.87323 0.12677 0.01512 1.00000
H2 H 0.37620 0.62380 0.00710 1.00000
H3 H 0.30102 0.00175 0.26286 1.00000
H4 H 0.78508 0.60146 0.95462 1.00000
H5 H 0.39854 0.21492 0.95462 1.00000
H6 H 0.99825 0.69898 0.26286 1.00000
H7 H 0.15008 0.20582 0.61800 1.00000
H8 H 0.06254 0.55977 0.62643 1.00000
H9 H 0.01706 0.25006 0.98636 1.00000
H10 H 0.74994 0.98294 0.98636 1.00000
H11 H 0.44023 0.93746 0.62643 1.00000
H12 H 0.79418 0.84992 0.61800 1.00000
Pd1 Pd 0.60118 0.75468 0.80831 1.00000
Pd2 Pd 0.24532 0.39882 0.80831 1.00000
Pd3 Pd 0.22558 0.77442 0.44361 1.00000
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