Tb(HPd2)4
Alexandria ALEXAlex-ID: agm097635157 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_123_spg12
Tb2HPd6 HPd Pd
2025-06-15 23:05:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097635157).
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 agm097635157
data_agm097635157
_cell_length_a 3.04518
_cell_length_b 7.94536
_cell_length_c 7.89758
_cell_angle_alpha 58.45432
_cell_angle_beta 89.69564
_cell_angle_gamma 91.04838
_cell_volume 162.79296
_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
Tb1 Tb 0.73063 0.89091 0.13968 1.00000
H1 H 0.23668 0.09433 0.66364 1.00000
H2 H 0.16443 0.54756 0.98561 1.00000
H3 H 0.25524 0.57822 0.63777 1.00000
H4 H 0.81003 0.03779 0.36442 1.00000
Pd1 Pd 0.18791 0.22384 0.15360 1.00000
Pd2 Pd 0.68143 0.52198 0.15265 1.00000
Pd3 Pd 0.75294 0.52072 0.79708 1.00000
Pd4 Pd 0.74255 0.16260 0.51307 1.00000
Pd5 Pd 0.28583 0.85789 0.48398 1.00000
Pd6 Pd 0.18120 0.53120 0.43844 1.00000
Pd7 Pd 0.26158 0.20382 0.81611 1.00000
Pd8 Pd 0.20955 0.82915 0.85394 1.00000
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