DyGe(H2Pd)3
Alexandria ALEXAlex-ID: agm006835971 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D6_2_spg146
H4Pd DyH3 Dy(HPd)4 GePd2
2025-05-27 02:10:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006835971).
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 agm006835971
data_agm006835971
_cell_length_a 4.86284
_cell_length_b 4.86284
_cell_length_c 4.86437
_cell_angle_alpha 83.27658
_cell_angle_beta 96.72342
_cell_angle_gamma 83.28601
_cell_volume 112.45273
_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
Dy1 Dy 0.57222 0.42778 0.57388 1.00000
Ge1 Ge 0.96345 0.03655 0.96500 1.00000
H1 H 0.06333 0.29838 0.41972 1.00000
H2 H 0.41787 0.93698 0.70351 1.00000
H3 H 0.41819 0.29818 0.06447 1.00000
H4 H 0.06302 0.58213 0.70351 1.00000
H5 H 0.70162 0.93667 0.41972 1.00000
H6 H 0.70182 0.58181 0.06447 1.00000
Pd1 Pd 0.07828 0.92172 0.49973 1.00000
Pd2 Pd 0.07853 0.50179 0.08002 1.00000
Pd3 Pd 0.49821 0.92147 0.08002 1.00000
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