TmTi(H4Pd)2
Alexandria ALEXAlex-ID: agm007609784 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
H4Pd TmH3 Tm(HPd)4 TiH2
2025-05-27 08:54:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007609784).
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 agm007609784
data_agm007609784
_cell_length_a 4.95671
_cell_length_b 4.38573
_cell_length_c 5.50816
_cell_angle_alpha 89.83958
_cell_angle_beta 109.71467
_cell_angle_gamma 116.20964
_cell_volume 99.60624
_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 0.08808 0.57637 0.53609 1.00000
Ti1 Ti 0.02235 0.04818 0.99270 1.00000
H1 H 0.14410 0.10391 0.68668 1.00000
H2 H 0.66742 0.68313 0.68948 1.00000
H3 H 0.81556 0.70514 0.17898 1.00000
H4 H 0.70880 0.10959 0.68767 1.00000
H5 H 0.30747 0.98072 0.30035 1.00000
H6 H 0.07666 0.59342 0.94536 1.00000
H7 H 0.80482 0.18832 0.16523 1.00000
H8 H 0.29834 0.39857 0.29755 1.00000
Pd1 Pd 0.58111 0.33216 0.85782 1.00000
Pd2 Pd 0.48529 0.78051 0.16208 1.00000
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