Dy3(PPd)4
Alexandria ALEXAlex-ID: agm003379337 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_1_spg71
DyPPd Dy6P13Pd20 P2Pd
2022-02-09 05:36:51.474430
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003379337).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003379337
data_agm003379337
_cell_length_a 4.06189
_cell_length_b 6.96290
_cell_length_c 7.87830
_cell_angle_alpha 116.22543
_cell_angle_beta 104.93896
_cell_angle_gamma 90.00000
_cell_volume 191.45084
_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 0.12668 0.12668 0.25335 1.00000
Dy2 Dy 0.87332 0.87332 0.74665 1.00000
Dy3 Dy 0.00000 0.50000 0.00000 1.00000
P1 P 0.21672 0.71672 0.43344 1.00000
P2 P 0.78328 0.28328 0.56656 1.00000
P3 P 0.50000 0.81132 1.00000 1.00000
P4 P 0.50000 0.18868 0.00000 1.00000
Pd1 Pd 0.33046 0.13139 0.66092 1.00000
Pd2 Pd 0.66954 0.47047 0.33908 1.00000
Pd3 Pd 0.66954 0.86861 0.33908 1.00000
Pd4 Pd 0.33046 0.52953 0.66092 1.00000
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