TmTi(H4Pd)2
Alexandria ALEXAlex-ID: agm007404507 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_753_spg12
H4Pd TmH3 Tm(HPd)4 TiH2
2024-06-24 12:02:16.547334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007404507).
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 agm007404507
data_agm007404507
_cell_length_a 3.36664
_cell_length_b 5.37440
_cell_length_c 5.80657
_cell_angle_alpha 80.45521
_cell_angle_beta 89.50014
_cell_angle_gamma 83.53772
_cell_volume 102.94418
_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
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
H1 H 0.95266 0.29351 0.58810 1.00000
H2 H 0.82085 0.35958 0.98732 1.00000
H3 H 0.04734 0.70649 0.41190 1.00000
H4 H 0.51207 0.93005 0.15469 1.00000
H5 H 0.48793 0.06995 0.84531 1.00000
H6 H 0.98270 0.10918 0.28640 1.00000
H7 H 0.01730 0.89082 0.71360 1.00000
H8 H 0.17915 0.64042 0.01268 1.00000
Pd1 Pd 0.96637 0.46104 0.26086 1.00000
Pd2 Pd 0.03363 0.53896 0.73914 1.00000
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