DyIn(H4Pd)2
Alexandria ALEXAlex-ID: agm007404181 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_38_spg12
InHPd3 DyH3 InPd H2
2025-05-28 04:07:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007404181).
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 agm007404181
data_agm007404181
_cell_length_a 4.66396
_cell_length_b 4.40098
_cell_length_c 7.18062
_cell_angle_alpha 85.33385
_cell_angle_beta 114.93019
_cell_angle_gamma 111.80914
_cell_volume 123.59310
_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 0.50000 0.50000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
H1 H 0.24308 0.87353 0.52640 1.00000
H2 H 0.47622 0.32351 0.80368 1.00000
H3 H 0.75692 0.12647 0.47360 1.00000
H4 H 0.45629 0.53546 0.79946 1.00000
H5 H 0.54371 0.46454 0.20054 1.00000
H6 H 0.97847 0.54717 0.78731 1.00000
H7 H 0.02153 0.45283 0.21269 1.00000
H8 H 0.52378 0.67649 0.19632 1.00000
Pd1 Pd 0.31465 0.88250 0.77611 1.00000
Pd2 Pd 0.68535 0.11750 0.22389 1.00000
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