TmCu4H8Pd
Alexandria ALEXAlex-ID: agm006804689 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D8_93_spg160
TmH3 CuH4 Tm(HPd)4 Cu
2024-10-14 14:39:21.690931
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006804689).
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 agm006804689
data_agm006804689
_cell_length_a 5.32605
_cell_length_b 5.65436
_cell_length_c 5.27749
_cell_angle_alpha 98.42742
_cell_angle_beta 110.55537
_cell_angle_gamma 116.97172
_cell_volume 123.40202
_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 0.67612 0.51501 0.29719 1.00000
Cu1 Cu 0.39075 0.90923 0.87713 1.00000
Cu2 Cu 0.41369 0.89850 0.38800 1.00000
Cu3 Cu 0.93767 0.45165 0.90210 1.00000
Cu4 Cu 0.03770 0.15779 0.55951 1.00000
H1 H 0.27882 0.16005 0.89102 1.00000
H2 H 0.73372 0.86658 0.59423 1.00000
H3 H 0.78772 0.20919 0.05950 1.00000
H4 H 0.77864 0.27297 0.54157 1.00000
H5 H 0.71257 0.58407 0.90311 1.00000
H6 H 0.23958 0.13103 0.37675 1.00000
H7 H 0.35184 0.67279 0.08051 1.00000
H8 H 0.19458 0.69219 0.52709 1.00000
Pd1 Pd 0.96658 0.97895 0.00229 1.00000
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