TbH4Pd2Rh
Alexandria ALEXAlex-ID: agm004774367 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_400_spg23
TbH5Rh2 TbH6Rh Tb3H2Pd9 HPd
2022-07-14 08:53:07.676844
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004774367).
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 agm004774367
data_agm004774367
_cell_length_a 5.26893
_cell_length_b 5.24870
_cell_length_c 5.20685
_cell_angle_alpha 129.81938
_cell_angle_beta 130.04437
_cell_angle_gamma 74.27196
_cell_volume 82.20033
_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 0.00582 0.50535 0.01157 1.00000
H1 H 0.55001 0.62459 0.58198 1.00000
H2 H 0.83571 0.34653 0.27329 1.00000
H3 H 0.43898 0.92948 0.27669 1.00000
H4 H 0.03076 0.95634 0.57969 1.00000
Pd1 Pd 0.50441 0.00376 0.00817 1.00000
Pd2 Pd 0.25827 0.25860 0.51732 1.00000
Rh1 Rh 0.76309 0.76239 0.52540 1.00000
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