TbMn(H4Pd)2
Alexandria ALEXAlex-ID: agm007306728 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1_spg5
MnH2 H4Pd TbH4Pd3 TbH3
2025-05-28 05:09:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007306728).
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 agm007306728
data_agm007306728
_cell_length_a 4.22692
_cell_length_b 4.54923
_cell_length_c 6.18571
_cell_angle_alpha 83.64716
_cell_angle_beta 84.83930
_cell_angle_gamma 64.46758
_cell_volume 106.55273
_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 0.00000 0.00000 0.50000 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
H1 H 0.93275 0.75536 0.21637 1.00000
H2 H 0.75529 0.38649 0.10699 1.00000
H3 H 0.29779 0.00765 0.16747 1.00000
H4 H 0.06725 0.24464 0.78363 1.00000
H5 H 0.24471 0.61351 0.89301 1.00000
H6 H 0.70221 0.99235 0.83253 1.00000
H7 H 0.62905 0.70220 0.54132 1.00000
H8 H 0.37095 0.29780 0.45868 1.00000
Pd1 Pd 0.66494 0.61075 0.81354 1.00000
Pd2 Pd 0.33506 0.38925 0.18646 1.00000
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